*HEADER    ELECTRON TRANSPORT                      26-MAR-05   1Z7R              
*TITLE     SOLUTION STRUCTURE OF REDUCED GLUTAREDOXIN C1 FROM POPULUS            
*TITLE    2 TREMULA X TREMULOIDES                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLUTAREDOXIN;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: GLUTAREDOXIN C1;                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: POPULUS TREMULA X POPULUS TREMULOIDES;          
*SOURCE   3 ORGANISM_COMMON: POPULUS;                                            
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET3D                                     
*KEYWDS    ELECTRON TRANSPORT                                                    
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    Y.FENG, N.ZHONG, N.ROUHIER, J.JACQUOT, B.XIA                          
*REVDAT   1   28-MAR-06 1Z7R    0                                                

#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,28,23,24, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=30,39,33,34, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=43,48,46,47, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=45,51,49,50, &end
#
#  chirality for residue 4 atoms:  CD NZ HE2 HE3
 &rst iat=51,57,55,56, &end
#
#  chirality for residue 4 atoms:  CG CE HD2 HD3
 &rst iat=48,54,52,53, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=41,61,44,45, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=65,70,68,69, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=67,73,71,72, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=63,78,66,67, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=82,87,85,86, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=84,90,88,89, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=80,93,83,84, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=97,102,100,101, &end
#
#  chirality for residue 7 atoms:  CB CD1 CD2 HG
 &rst iat=99,104,108,103, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=95,112,98,99, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=116,121,119,120, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=114,124,117,118, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=126,134,129,130, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=136,144,139,140, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=148,153,151,152, &end
#
#  chirality for residue 11 atoms:  CB CD1 CD2 HG
 &rst iat=150,155,159,154, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=146,163,149,150, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=167,172,170,171, &end
#
#  chirality for residue 12 atoms:  CB CD HG2 HG3
 &rst iat=169,175,173,174, &end
#
#  chirality for residue 12 atoms:  CD NZ HE2 HE3
 &rst iat=175,181,179,180, &end
#
#  chirality for residue 12 atoms:  CG CE HD2 HD3
 &rst iat=172,178,176,177, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=165,185,168,169, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=189,194,192,193, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=191,197,195,196, &end
#
#  chirality for residue 13 atoms:  CD NZ HE2 HE3
 &rst iat=197,203,201,202, &end
#
#  chirality for residue 13 atoms:  CG CE HD2 HD3
 &rst iat=194,200,198,199, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=187,207,190,191, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=209,217,212,213, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=221,226,224,225, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=223,229,227,228, &end
#
#  chirality for residue 15 atoms:  CD NZ HE2 HE3
 &rst iat=229,235,233,234, &end
#
#  chirality for residue 15 atoms:  CG CE HD2 HD3
 &rst iat=226,232,230,231, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=219,239,222,223, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=243,248,246,247, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=245,251,249,250, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=241,254,244,245, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=258,263,261,262, &end
#
#  chirality for residue 17 atoms:  CB CD1 CD2 HG
 &rst iat=260,265,269,264, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=256,273,259,260, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=275,283,278,279, &end
#
#  chirality for residue 19 atoms:  CA OG HB2 HB3
 &rst iat=287,292,290,291, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=285,294,288,289, &end
#
#  chirality for residue 20 atoms:  CA OG HB2 HB3
 &rst iat=298,303,301,302, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=296,305,299,300, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=307,315,310,311, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=327,321,325,326, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=324,318,322,323, &end
#
#  chirality for residue 22 atoms:  CG N HD2 HD3
 &rst iat=321,317,319,320, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=317,329,328,324, &end
#
#  chirality for residue 23 atoms:  CA CG1 CG2 HB
 &rst iat=333,337,341,336, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=331,345,334,335, &end
#
#  chirality for residue 24 atoms:  CA CG1 CG2 HB
 &rst iat=349,353,357,352, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=347,361,350,351, &end
#
#  chirality for residue 25 atoms:  CA CG1 CG2 HB
 &rst iat=365,369,373,368, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=363,377,366,367, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=381,386,384,385, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=379,397,382,383, &end
#
#  chirality for residue 27 atoms:  CA OG HB2 HB3
 &rst iat=401,406,404,405, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=399,408,402,403, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=412,417,415,416, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=414,420,418,419, &end
#
#  chirality for residue 28 atoms:  CD NZ HE2 HE3
 &rst iat=420,426,424,425, &end
#
#  chirality for residue 28 atoms:  CG CE HD2 HD3
 &rst iat=417,423,421,422, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=410,430,413,414, &end
#
#  chirality for residue 29 atoms:  CA CG2 OG1 HB
 &rst iat=434,438,442,437, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=432,444,435,436, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=448,453,451,452, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=446,465,449,450, &end
#
#  chirality for residue 31 atoms:  CA SG HB2 HB3
 &rst iat=469,474,473,472, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=467,475,470,471, &end
#
#  chirality for residue 32 atoms:  N C HA2 HA3
 &rst iat=477,482,480,481, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=486,491,489,490, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=484,503,487,488, &end
#
#  chirality for residue 34 atoms:  CA SG HB2 HB3
 &rst iat=507,512,510,511, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=505,514,508,509, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=518,523,521,522, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=516,528,519,520, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=532,537,535,536, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=534,540,538,539, &end
#
#  chirality for residue 36 atoms:  CG NE HD2 HD3
 &rst iat=537,543,541,542, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=530,552,533,534, &end
#
#  chirality for residue 37 atoms:  CA CG1 CG2 HB
 &rst iat=556,560,564,559, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=554,568,557,558, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=572,577,575,576, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=574,580,578,579, &end
#
#  chirality for residue 38 atoms:  CD NZ HE2 HE3
 &rst iat=580,586,584,585, &end
#
#  chirality for residue 38 atoms:  CG CE HD2 HD3
 &rst iat=577,583,581,582, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=570,590,573,574, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=594,599,597,598, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=596,602,600,601, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=592,607,595,596, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=611,616,614,615, &end
#
#  chirality for residue 40 atoms:  CB CD1 CD2 HG
 &rst iat=613,618,622,617, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=609,626,612,613, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=630,635,633,634, &end
#
#  chirality for residue 41 atoms:  CB CD1 CD2 HG
 &rst iat=632,637,641,636, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=628,645,631,632, &end
#
#  chirality for residue 42 atoms:  CA CG2 OG1 HB
 &rst iat=649,653,657,652, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=647,659,650,651, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=663,668,666,667, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=665,671,669,670, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=661,676,664,665, &end
#
#  chirality for residue 44 atoms:  CA CG1 CG2 HB
 &rst iat=680,684,688,683, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=678,692,681,682, &end
#
#  chirality for residue 45 atoms:  N C HA2 HA3
 &rst iat=694,699,697,698, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=701,709,704,705, &end
#
#  chirality for residue 47 atoms:  CA OG HB2 HB3
 &rst iat=713,718,716,717, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=711,720,714,715, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=724,729,727,728, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=722,741,725,726, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=745,750,748,749, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=747,753,751,752, &end
#
#  chirality for residue 49 atoms:  CD NZ HE2 HE3
 &rst iat=753,759,757,758, &end
#
#  chirality for residue 49 atoms:  CG CE HD2 HD3
 &rst iat=750,756,754,755, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=743,763,746,747, &end
#
#  chirality for residue 50 atoms:  CA CG1 CG2 HB
 &rst iat=767,771,775,770, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=765,779,768,769, &end
#
#  chirality for residue 51 atoms:  CA CG1 CG2 HB
 &rst iat=783,787,791,786, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=781,795,784,785, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=799,804,802,803, &end
#
#  chirality for residue 52 atoms:  CB CD HG2 HG3
 &rst iat=801,807,805,806, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=797,810,800,801, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=814,819,817,818, &end
#
#  chirality for residue 53 atoms:  CB CD1 CD2 HG
 &rst iat=816,821,825,820, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=812,829,815,816, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=833,838,836,837, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=831,841,834,835, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=845,850,848,849, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=847,853,851,852, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=843,856,846,847, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=860,865,863,864, &end
#
#  chirality for residue 56 atoms:  CB CD1 CD2 HG
 &rst iat=862,867,871,866, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=858,875,861,862, &end
#
#  chirality for residue 57 atoms:  CA OG HB2 HB3
 &rst iat=879,884,882,883, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=877,886,880,881, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=890,895,893,894, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=888,898,891,892, &end
#
#  chirality for residue 59 atoms:  N C HA2 HA3
 &rst iat=900,905,903,904, &end
#
#  chirality for residue 60 atoms:  CA OG HB2 HB3
 &rst iat=909,914,912,913, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=907,916,910,911, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=920,925,923,924, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=922,928,926,927, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=918,933,921,922, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=937,942,940,941, &end
#
#  chirality for residue 62 atoms:  CB CD1 CD2 HG
 &rst iat=939,944,948,943, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=935,952,938,939, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=956,961,959,960, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=958,964,962,963, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=954,969,957,958, &end
#
#  chirality for residue 64 atoms:  CA OG HB2 HB3
 &rst iat=973,978,976,977, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=971,980,974,975, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=982,990,985,986, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=994,999,997,998, &end
#
#  chirality for residue 66 atoms:  CB CD1 CD2 HG
 &rst iat=996,1001,1005,1000, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=992,1009,995,996, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1011,1019,1014,1015, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1023,1028,1026,1027, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1021,1036,1024,1025, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1040,1045,1043,1044, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1038,1060,1041,1042, &end
#
#  chirality for residue 70 atoms:  CA CG2 OG1 HB
 &rst iat=1064,1068,1072,1067, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1062,1074,1065,1066, &end
#
#  chirality for residue 71 atoms:  N C HA2 HA3
 &rst iat=1076,1081,1079,1080, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1085,1090,1088,1089, &end
#
#  chirality for residue 72 atoms:  CB CD HG2 HG3
 &rst iat=1087,1093,1091,1092, &end
#
#  chirality for residue 72 atoms:  CG NE HD2 HD3
 &rst iat=1090,1096,1094,1095, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1083,1105,1086,1087, &end
#
#  chirality for residue 73 atoms:  N C HA2 HA3
 &rst iat=1107,1112,1110,1111, &end
#
#  chirality for residue 74 atoms:  CA CG2 OG1 HB
 &rst iat=1116,1120,1124,1119, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1114,1126,1117,1118, &end
#
#  chirality for residue 75 atoms:  CA CG1 CG2 HB
 &rst iat=1130,1134,1138,1133, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1128,1142,1131,1132, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1154,1148,1152,1153, &end
#
#  chirality for residue 76 atoms:  CB CD HG2 HG3
 &rst iat=1151,1145,1149,1150, &end
#
#  chirality for residue 76 atoms:  CG N HD2 HD3
 &rst iat=1148,1144,1146,1147, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1144,1156,1155,1151, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1160,1165,1163,1164, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1158,1170,1161,1162, &end
#
#  chirality for residue 78 atoms:  CA CG1 CG2 HB
 &rst iat=1174,1178,1182,1177, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1172,1186,1175,1176, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1190,1195,1193,1194, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1188,1206,1191,1192, &end
#
#  chirality for residue 80 atoms:  CA CG2 CG1 HB
 &rst iat=1210,1214,1218,1213, &end
#
#  chirality for residue 80 atoms:  CB CD1 HG12 HG13
 &rst iat=1212,1221,1219,1220, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1208,1225,1211,1212, &end
#
#  chirality for residue 81 atoms:  N C HA2 HA3
 &rst iat=1227,1232,1230,1231, &end
#
#  chirality for residue 82 atoms:  N C HA2 HA3
 &rst iat=1234,1239,1237,1238, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1243,1248,1246,1247, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1245,1251,1249,1250, &end
#
#  chirality for residue 83 atoms:  CD NZ HE2 HE3
 &rst iat=1251,1257,1255,1256, &end
#
#  chirality for residue 83 atoms:  CG CE HD2 HD3
 &rst iat=1248,1254,1252,1253, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1241,1261,1244,1245, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1265,1270,1268,1269, &end
#
#  chirality for residue 84 atoms:  CB CD HG2 HG3
 &rst iat=1267,1273,1271,1272, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1263,1278,1266,1267, &end
#
#  chirality for residue 85 atoms:  CA CG2 CG1 HB
 &rst iat=1282,1286,1290,1285, &end
#
#  chirality for residue 85 atoms:  CB CD1 HG12 HG13
 &rst iat=1284,1293,1291,1292, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1280,1297,1283,1284, &end
#
#  chirality for residue 86 atoms:  N C HA2 HA3
 &rst iat=1299,1304,1302,1303, &end
#
#  chirality for residue 87 atoms:  N C HA2 HA3
 &rst iat=1306,1311,1309,1310, &end
#
#  chirality for residue 88 atoms:  CA SG HB2 HB3
 &rst iat=1315,1320,1318,1319, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1313,1322,1316,1317, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1326,1331,1329,1330, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1324,1334,1327,1328, &end
#
#  chirality for residue 90 atoms:  CA CG2 OG1 HB
 &rst iat=1338,1342,1346,1341, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1336,1348,1339,1340, &end
#
#  chirality for residue 91 atoms:  CA CG1 CG2 HB
 &rst iat=1352,1356,1360,1355, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1350,1364,1353,1354, &end
#
#  chirality for residue 92 atoms:  CA CG1 CG2 HB
 &rst iat=1368,1372,1376,1371, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1366,1380,1369,1370, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1384,1389,1387,1388, &end
#
#  chirality for residue 93 atoms:  CB CD HG2 HG3
 &rst iat=1386,1392,1390,1391, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1382,1395,1385,1386, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1399,1404,1402,1403, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1401,1407,1405,1406, &end
#
#  chirality for residue 94 atoms:  CD NZ HE2 HE3
 &rst iat=1407,1413,1411,1412, &end
#
#  chirality for residue 94 atoms:  CG CE HD2 HD3
 &rst iat=1404,1410,1408,1409, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1397,1417,1400,1401, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1421,1426,1424,1425, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1419,1434,1422,1423, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1438,1443,1441,1442, &end
#
#  chirality for residue 96 atoms:  CB CD HG2 HG3
 &rst iat=1440,1446,1444,1445, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1436,1451,1439,1440, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1455,1460,1458,1459, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1457,1463,1461,1462, &end
#
#  chirality for residue 97 atoms:  CG NE HD2 HD3
 &rst iat=1460,1466,1464,1465, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1453,1475,1456,1457, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1479,1484,1482,1483, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1477,1489,1480,1481, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1493,1498,1496,1497, &end
#
#  chirality for residue 99 atoms:  CB CD HG2 HG3
 &rst iat=1495,1501,1499,1500, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1491,1504,1494,1495, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1508,1513,1511,1512, &end
#
#  chirality for residue 100 atoms:  CB CD1 CD2 HG
 &rst iat=1510,1515,1519,1514, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1506,1523,1509,1510, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1527,1532,1530,1531, &end
#
#  chirality for residue 101 atoms:  CB CD1 CD2 HG
 &rst iat=1529,1534,1538,1533, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1525,1542,1528,1529, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1554,1548,1552,1553, &end
#
#  chirality for residue 102 atoms:  CB CD HG2 HG3
 &rst iat=1551,1545,1549,1550, &end
#
#  chirality for residue 102 atoms:  CG N HD2 HD3
 &rst iat=1548,1544,1546,1547, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1544,1556,1555,1551, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1560,1565,1563,1564, &end
#
#  chirality for residue 103 atoms:  CB CD1 CD2 HG
 &rst iat=1562,1567,1571,1566, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1558,1575,1561,1562, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1579,1584,1582,1583, &end
#
#  chirality for residue 104 atoms:  CB CD1 CD2 HG
 &rst iat=1581,1586,1590,1585, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1577,1594,1580,1581, &end
#
#  chirality for residue 105 atoms:  CA CG HB2 HB3
 &rst iat=1598,1603,1601,1602, &end
#
#  chirality for residue 105 atoms:  CB CD HG2 HG3
 &rst iat=1600,1606,1604,1605, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1596,1611,1599,1600, &end
#
#  chirality for residue 106 atoms:  CA CG HB2 HB3
 &rst iat=1615,1620,1618,1619, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1613,1623,1616,1617, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1625,1633,1628,1629, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1635,1643,1638,1639, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1645,1653,1648,1649, &end
#
#  chirality for residue 110 atoms:  CA CG2 OG1 HB
 &rst iat=1657,1661,1665,1660, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1655,1667,1658,1659, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1669,1677,1672,1673, &end
#
#  chirality for residue 112 atoms:  CA CG HB2 HB3
 &rst iat=1681,1686,1684,1685, &end
#
#  chirality for residue 112 atoms:  CB CD HG2 HG3
 &rst iat=1683,1689,1687,1688, &end
#
#  chirality for residue 112 atoms:  CD NZ HE2 HE3
 &rst iat=1689,1695,1693,1694, &end
#
#  chirality for residue 112 atoms:  CG CE HD2 HD3
 &rst iat=1686,1692,1690,1691, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1679,1699,1682,1683, &end
#
#  chirality for residue 113 atoms:  CA CG HB2 HB3
 &rst iat=1703,1708,1706,1707, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1701,1713,1704,1705, &end
#
#  chirality for residue 114 atoms:  CA CG HB2 HB3
 &rst iat=1725,1719,1723,1724, &end
#
#  chirality for residue 114 atoms:  CB CD HG2 HG3
 &rst iat=1722,1716,1720,1721, &end
#
#  chirality for residue 114 atoms:  CG N HD2 HD3
 &rst iat=1719,1715,1717,1718, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1715,1727,1726,1722, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1729,1737,1732,1733, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1741,1746,1744,1745, &end
#
#  chirality for residue 116 atoms:  CB CD HG2 HG3
 &rst iat=1743,1749,1747,1748, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1739,1754,1742,1743, &end
#
#  chirality for residue 117 atoms:  CA CG HB2 HB3
 &rst iat=1758,1763,1761,1762, &end
#
#  chirality for residue 117 atoms:  CB CD1 CD2 HG
 &rst iat=1760,1765,1769,1764, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1756,1773,1759,1760, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=32,30,28,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=43,41,39,32, &end
#
#  trans-omega constraint for residue 5
 &rst iat=65,63,61,43, &end
#
#  trans-omega constraint for residue 6
 &rst iat=82,80,78,65, &end
#
#  trans-omega constraint for residue 7
 &rst iat=97,95,93,82, &end
#
#  trans-omega constraint for residue 8
 &rst iat=116,114,112,97, &end
#
#  trans-omega constraint for residue 9
 &rst iat=128,126,124,116, &end
#
#  trans-omega constraint for residue 10
 &rst iat=138,136,134,128, &end
#
#  trans-omega constraint for residue 11
 &rst iat=148,146,144,138, &end
#
#  trans-omega constraint for residue 12
 &rst iat=167,165,163,148, &end
#
#  trans-omega constraint for residue 13
 &rst iat=189,187,185,167, &end
#
#  trans-omega constraint for residue 14
 &rst iat=211,209,207,189, &end
#
#  trans-omega constraint for residue 15
 &rst iat=221,219,217,211, &end
#
#  trans-omega constraint for residue 16
 &rst iat=243,241,239,221, &end
#
#  trans-omega constraint for residue 17
 &rst iat=258,256,254,243, &end
#
#  trans-omega constraint for residue 18
 &rst iat=277,275,273,258, &end
#
#  trans-omega constraint for residue 19
 &rst iat=287,285,283,277, &end
#
#  trans-omega constraint for residue 20
 &rst iat=298,296,294,287, &end
#
#  trans-omega constraint for residue 21
 &rst iat=309,307,305,298, &end
#
#  trans-omega constraint for residue 22
 &rst iat=327,317,315,309, &end
#
#  trans-omega constraint for residue 23
 &rst iat=333,331,329,327, &end
#
#  trans-omega constraint for residue 24
 &rst iat=349,347,345,333, &end
#
#  trans-omega constraint for residue 25
 &rst iat=365,363,361,349, &end
#
#  trans-omega constraint for residue 26
 &rst iat=381,379,377,365, &end
#
#  trans-omega constraint for residue 27
 &rst iat=401,399,397,381, &end
#
#  trans-omega constraint for residue 28
 &rst iat=412,410,408,401, &end
#
#  trans-omega constraint for residue 29
 &rst iat=434,432,430,412, &end
#
#  trans-omega constraint for residue 30
 &rst iat=448,446,444,434, &end
#
#  trans-omega constraint for residue 31
 &rst iat=469,467,465,448, &end
#
#  trans-omega constraint for residue 32
 &rst iat=479,477,475,469, &end
#
#  trans-omega constraint for residue 33
 &rst iat=486,484,482,479, &end
#
#  trans-omega constraint for residue 34
 &rst iat=507,505,503,486, &end
#
#  trans-omega constraint for residue 35
 &rst iat=518,516,514,507, &end
#
#  trans-omega constraint for residue 36
 &rst iat=532,530,528,518, &end
#
#  trans-omega constraint for residue 37
 &rst iat=556,554,552,532, &end
#
#  trans-omega constraint for residue 38
 &rst iat=572,570,568,556, &end
#
#  trans-omega constraint for residue 39
 &rst iat=594,592,590,572, &end
#
#  trans-omega constraint for residue 40
 &rst iat=611,609,607,594, &end
#
#  trans-omega constraint for residue 41
 &rst iat=630,628,626,611, &end
#
#  trans-omega constraint for residue 42
 &rst iat=649,647,645,630, &end
#
#  trans-omega constraint for residue 43
 &rst iat=663,661,659,649, &end
#
#  trans-omega constraint for residue 44
 &rst iat=680,678,676,663, &end
#
#  trans-omega constraint for residue 45
 &rst iat=696,694,692,680, &end
#
#  trans-omega constraint for residue 46
 &rst iat=703,701,699,696, &end
#
#  trans-omega constraint for residue 47
 &rst iat=713,711,709,703, &end
#
#  trans-omega constraint for residue 48
 &rst iat=724,722,720,713, &end
#
#  trans-omega constraint for residue 49
 &rst iat=745,743,741,724, &end
#
#  trans-omega constraint for residue 50
 &rst iat=767,765,763,745, &end
#
#  trans-omega constraint for residue 51
 &rst iat=783,781,779,767, &end
#
#  trans-omega constraint for residue 52
 &rst iat=799,797,795,783, &end
#
#  trans-omega constraint for residue 53
 &rst iat=814,812,810,799, &end
#
#  trans-omega constraint for residue 54
 &rst iat=833,831,829,814, &end
#
#  trans-omega constraint for residue 55
 &rst iat=845,843,841,833, &end
#
#  trans-omega constraint for residue 56
 &rst iat=860,858,856,845, &end
#
#  trans-omega constraint for residue 57
 &rst iat=879,877,875,860, &end
#
#  trans-omega constraint for residue 58
 &rst iat=890,888,886,879, &end
#
#  trans-omega constraint for residue 59
 &rst iat=902,900,898,890, &end
#
#  trans-omega constraint for residue 60
 &rst iat=909,907,905,902, &end
#
#  trans-omega constraint for residue 61
 &rst iat=920,918,916,909, &end
#
#  trans-omega constraint for residue 62
 &rst iat=937,935,933,920, &end
#
#  trans-omega constraint for residue 63
 &rst iat=956,954,952,937, &end
#
#  trans-omega constraint for residue 64
 &rst iat=973,971,969,956, &end
#
#  trans-omega constraint for residue 65
 &rst iat=984,982,980,973, &end
#
#  trans-omega constraint for residue 66
 &rst iat=994,992,990,984, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1013,1011,1009,994, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1023,1021,1019,1013, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1040,1038,1036,1023, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1064,1062,1060,1040, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1078,1076,1074,1064, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1085,1083,1081,1078, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1109,1107,1105,1085, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1116,1114,1112,1109, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1130,1128,1126,1116, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1160,1158,1156,1154, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1174,1172,1170,1160, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1190,1188,1186,1174, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1210,1208,1206,1190, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1229,1227,1225,1210, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1236,1234,1232,1229, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1243,1241,1239,1236, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1265,1263,1261,1243, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1282,1280,1278,1265, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1301,1299,1297,1282, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1308,1306,1304,1301, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1315,1313,1311,1308, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1326,1324,1322,1315, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1338,1336,1334,1326, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1352,1350,1348,1338, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1368,1366,1364,1352, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1384,1382,1380,1368, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1399,1397,1395,1384, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1421,1419,1417,1399, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1438,1436,1434,1421, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1455,1453,1451,1438, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1479,1477,1475,1455, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1493,1491,1489,1479, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1508,1506,1504,1493, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1527,1525,1523,1508, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1554,1544,1542,1527, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1560,1558,1556,1554, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1579,1577,1575,1560, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1598,1596,1594,1579, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1615,1613,1611,1598, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1627,1625,1623,1615, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1637,1635,1633,1627, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1647,1645,1643,1637, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1657,1655,1653,1647, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1671,1669,1667,1657, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1681,1679,1677,1671, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1703,1701,1699,1681, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1725,1715,1713,1703, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1731,1729,1727,1725, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1741,1739,1737,1731, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1758,1756,1754,1741, &end
#
#  cis-omega constraint for residue 76
 &rst iat=1154,1144,1142,1130,
   r1=-30., r2=-10., r3=10., r4=30., rk2 = 150., rk3=150., &end
#
# 1775 atoms read from pdb file ../grx1_amb.pdb.
# 4 LYS PHI:  (3 SER C)-(4 LYS N)-(4 LYS CA)-(4 LYS C) -71.0 -51.0
 &rst     iat =    39,    41,    43,    61,
   r1 = -72.0, r2 = -71.0, r3 = -51.0, r4 = -50.0,
   rk2 =   50.0, rk3 =  50.0,    &end

# 5 GLN PHI:  (4 LYS C)-(5 GLN N)-(5 GLN CA)-(5 GLN C) -73.0 -57.0
 &rst     iat =    61,    63,    65,    78,
   r1 = -74.0, r2 = -73.0, r3 = -57.0, r4 = -56.0,
 &end

# 6 GLU PHI:  (5 GLN C)-(6 GLU N)-(6 GLU CA)-(6 GLU C) -79.0 -55.0
 &rst     iat =    78,    80,    82,    93,
   r1 = -80.0, r2 = -79.0, r3 = -55.0, r4 = -54.0,
 &end

# 7 LEU PHI:  (6 GLU C)-(7 LEU N)-(7 LEU CA)-(7 LEU C) -77.0 -49.0
 &rst     iat =    93,    95,    97,   112,
   r1 = -78.0, r2 = -77.0, r3 = -49.0, r4 = -48.0,
 &end

# 8 ASP PHI:  (7 LEU C)-(8 ASP N)-(8 ASP CA)-(8 ASP C) -83.0 -51.0
 &rst     iat =   112,   114,   116,   124,
   r1 = -84.0, r2 = -83.0, r3 = -51.0, r4 = -50.0,
 &end

# 9 ALA PHI:  (8 ASP C)-(9 ALA N)-(9 ALA CA)-(9 ALA C) -78.0 -58.0
 &rst     iat =   124,   126,   128,   134,
   r1 = -79.0, r2 = -78.0, r3 = -58.0, r4 = -57.0,
 &end

# 10 ALA PHI:  (9 ALA C)-(10 ALA N)-(10 ALA CA)-(10 ALA C) -81.0 -57.0
 &rst     iat =   134,   136,   138,   144,
   r1 = -82.0, r2 = -81.0, r3 = -57.0, r4 = -56.0,
 &end

# 11 LEU PHI:  (10 ALA C)-(11 LEU N)-(11 LEU CA)-(11 LEU C) -78.0 -54.0
 &rst     iat =   144,   146,   148,   163,
   r1 = -79.0, r2 = -78.0, r3 = -54.0, r4 = -53.0,
 &end

# 12 LYS PHI:  (11 LEU C)-(12 LYS N)-(12 LYS CA)-(12 LYS C) -79.0 -55.0
 &rst     iat =   163,   165,   167,   185,
   r1 = -80.0, r2 = -79.0, r3 = -55.0, r4 = -54.0,
 &end

# 13 LYS PHI:  (12 LYS C)-(13 LYS N)-(13 LYS CA)-(13 LYS C) -78.0 -58.0
 &rst     iat =   185,   187,   189,   207,
   r1 = -79.0, r2 = -78.0, r3 = -58.0, r4 = -57.0,
 &end

# 14 ALA PHI:  (13 LYS C)-(14 ALA N)-(14 ALA CA)-(14 ALA C) -77.0 -49.0
 &rst     iat =   207,   209,   211,   217,
   r1 = -78.0, r2 = -77.0, r3 = -49.0, r4 = -48.0,
 &end

# 15 LYS PHI:  (14 ALA C)-(15 LYS N)-(15 LYS CA)-(15 LYS C) -69.0 -57.0
 &rst     iat =   217,   219,   221,   239,
   r1 = -70.0, r2 = -69.0, r3 = -57.0, r4 = -56.0,
 &end

# 16 GLU PHI:  (15 LYS C)-(16 GLU N)-(16 GLU CA)-(16 GLU C) -71.0 -59.0
 &rst     iat =   239,   241,   243,   254,
   r1 = -72.0, r2 = -71.0, r3 = -59.0, r4 = -58.0,
 &end

# 17 LEU PHI:  (16 GLU C)-(17 LEU N)-(17 LEU CA)-(17 LEU C) -79.0 -55.0
 &rst     iat =   254,   256,   258,   273,
   r1 = -80.0, r2 = -79.0, r3 = -55.0, r4 = -54.0,
 &end

# 18 ALA PHI:  (17 LEU C)-(18 ALA N)-(18 ALA CA)-(18 ALA C) -76.0 -48.0
 &rst     iat =   273,   275,   277,   283,
   r1 = -77.0, r2 = -76.0, r3 = -48.0, r4 = -47.0,
 &end

# 19 SER PHI:  (18 ALA C)-(19 SER N)-(19 SER CA)-(19 SER C) -136.0 -68.0
 &rst     iat =   283,   285,   287,   294,
   r1 = -137.0, r2 = -136.0, r3 = -68.0, r4 = -67.0,
 &end

# 23 VAL PHI:  (22 PRO C)-(23 VAL N)-(23 VAL CA)-(23 VAL C) -166.0 -94.0
 &rst     iat =   329,   331,   333,   345,
   r1 = -167.0, r2 = -166.0, r3 = -94.0, r4 = -93.0,
 &end

# 24 VAL PHI:  (23 VAL C)-(24 VAL N)-(24 VAL CA)-(24 VAL C) -156.0 -92.0
 &rst     iat =   345,   347,   349,   361,
   r1 = -157.0, r2 = -156.0, r3 = -92.0, r4 = -91.0,
 &end

# 25 VAL PHI:  (24 VAL C)-(25 VAL N)-(25 VAL CA)-(25 VAL C) -143.0 -99.0
 &rst     iat =   361,   363,   365,   377,
   r1 = -144.0, r2 = -143.0, r3 = -99.0, r4 = -98.0,
 &end

# 26 PHE PHI:  (25 VAL C)-(26 PHE N)-(26 PHE CA)-(26 PHE C) -126.0 -66.0
 &rst     iat =   377,   379,   381,   397,
   r1 = -127.0, r2 = -126.0, r3 = -66.0, r4 = -65.0,
 &end

# 27 SER PHI:  (26 PHE C)-(27 SER N)-(27 SER CA)-(27 SER C) -155.0 -99.0
 &rst     iat =   397,   399,   401,   408,
   r1 = -156.0, r2 = -155.0, r3 = -99.0, r4 = -98.0,
 &end

# 28 LYS PHI:  (27 SER C)-(28 LYS N)-(28 LYS CA)-(28 LYS C) -139.0 -31.0
 &rst     iat =   408,   410,   412,   430,
   r1 = -140.0, r2 = -139.0, r3 = -31.0, r4 = -30.0,
 &end

# 29 THR PHI:  (28 LYS C)-(29 THR N)-(29 THR CA)-(29 THR C) -93.0 -33.0
 &rst     iat =   430,   432,   434,   444,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 30 TYR PHI:  (29 THR C)-(30 TYR N)-(30 TYR CA)-(30 TYR C) -180.0   0.0
 &rst     iat =   444,   446,   448,   465,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 31 CYS PHI:  (30 TYR C)-(31 CYS N)-(31 CYS CA)-(31 CYS C) -147.0 -27.0
 &rst     iat =   465,   467,   469,   475,
   r1 = -148.0, r2 = -147.0, r3 = -27.0, r4 = -26.0,
 &end

# 32 GLY PHI:  (31 CYS C)-(32 GLY N)-(32 GLY CA)-(32 GLY C) -74.0 -50.0
 &rst     iat =   475,   477,   479,   482,
   r1 = -75.0, r2 = -74.0, r3 = -50.0, r4 = -49.0,
 &end

# 33 TYR PHI:  (32 GLY C)-(33 TYR N)-(33 TYR CA)-(33 TYR C) -75.0 -55.0
 &rst     iat =   482,   484,   486,   503,
   r1 = -76.0, r2 = -75.0, r3 = -55.0, r4 = -54.0,
 &end

# 34 CYS PHI:  (33 TYR C)-(34 CYS N)-(34 CYS CA)-(34 CYS C) -78.0 -50.0
 &rst     iat =   503,   505,   507,   514,
   r1 = -79.0, r2 = -78.0, r3 = -50.0, r4 = -49.0,
 &end

# 35 ASN PHI:  (34 CYS C)-(35 ASN N)-(35 ASN CA)-(35 ASN C) -73.0 -49.0
 &rst     iat =   514,   516,   518,   528,
   r1 = -74.0, r2 = -73.0, r3 = -49.0, r4 = -48.0,
 &end

# 36 ARG PHI:  (35 ASN C)-(36 ARG N)-(36 ARG CA)-(36 ARG C) -78.0 -54.0
 &rst     iat =   528,   530,   532,   552,
   r1 = -79.0, r2 = -78.0, r3 = -54.0, r4 = -53.0,
 &end

# 37 VAL PHI:  (36 ARG C)-(37 VAL N)-(37 VAL CA)-(37 VAL C) -69.0 -57.0
 &rst     iat =   552,   554,   556,   568,
   r1 = -70.0, r2 = -69.0, r3 = -57.0, r4 = -56.0,
 &end

# 38 LYS PHI:  (37 VAL C)-(38 LYS N)-(38 LYS CA)-(38 LYS C) -70.0 -50.0
 &rst     iat =   568,   570,   572,   590,
   r1 = -71.0, r2 = -70.0, r3 = -50.0, r4 = -49.0,
 &end

# 39 GLN PHI:  (38 LYS C)-(39 GLN N)-(39 GLN CA)-(39 GLN C) -76.0 -56.0
 &rst     iat =   590,   592,   594,   607,
   r1 = -77.0, r2 = -76.0, r3 = -56.0, r4 = -55.0,
 &end

# 40 LEU PHI:  (39 GLN C)-(40 LEU N)-(40 LEU CA)-(40 LEU C) -67.0 -59.0
 &rst     iat =   607,   609,   611,   626,
   r1 = -68.0, r2 = -67.0, r3 = -59.0, r4 = -58.0,
 &end

# 41 LEU PHI:  (40 LEU C)-(41 LEU N)-(41 LEU CA)-(41 LEU C) -70.0 -54.0
 &rst     iat =   626,   628,   630,   645,
   r1 = -71.0, r2 = -70.0, r3 = -54.0, r4 = -53.0,
 &end

# 42 THR PHI:  (41 LEU C)-(42 THR N)-(42 THR CA)-(42 THR C) -75.0 -59.0
 &rst     iat =   645,   647,   649,   659,
   r1 = -76.0, r2 = -75.0, r3 = -59.0, r4 = -58.0,
 &end

# 43 GLN PHI:  (42 THR C)-(43 GLN N)-(43 GLN CA)-(43 GLN C) -86.0 -50.0
 &rst     iat =   659,   661,   663,   676,
   r1 = -87.0, r2 = -86.0, r3 = -50.0, r4 = -49.0,
 &end

# 44 VAL PHI:  (43 GLN C)-(44 VAL N)-(44 VAL CA)-(44 VAL C) -121.0 -69.0
 &rst     iat =   676,   678,   680,   692,
   r1 = -122.0, r2 = -121.0, r3 = -69.0, r4 = -68.0,
 &end

# 49 LYS PHI:  (48 TYR C)-(49 LYS N)-(49 LYS CA)-(49 LYS C) -163.0 -83.0
 &rst     iat =   741,   743,   745,   763,
   r1 = -164.0, r2 = -163.0, r3 = -83.0, r4 = -82.0,
 &end

# 50 VAL PHI:  (49 LYS C)-(50 VAL N)-(50 VAL CA)-(50 VAL C) -142.0 -74.0
 &rst     iat =   763,   765,   767,   779,
   r1 = -143.0, r2 = -142.0, r3 = -74.0, r4 = -73.0,
 &end

# 51 VAL PHI:  (50 VAL C)-(51 VAL N)-(51 VAL CA)-(51 VAL C) -149.0 -73.0
 &rst     iat =   779,   781,   783,   795,
   r1 = -150.0, r2 = -149.0, r3 = -73.0, r4 = -72.0,
 &end

# 52 GLU PHI:  (51 VAL C)-(52 GLU N)-(52 GLU CA)-(52 GLU C) -114.0 -74.0
 &rst     iat =   795,   797,   799,   810,
   r1 = -115.0, r2 = -114.0, r3 = -74.0, r4 = -73.0,
 &end

# 53 LEU PHI:  (52 GLU C)-(53 LEU N)-(53 LEU CA)-(53 LEU C) -76.0 -40.0
 &rst     iat =   810,   812,   814,   829,
   r1 = -77.0, r2 = -76.0, r3 = -40.0, r4 = -39.0,
 &end

# 54 ASP PHI:  (53 LEU C)-(54 ASP N)-(54 ASP CA)-(54 ASP C) -86.0 -58.0
 &rst     iat =   829,   831,   833,   841,
   r1 = -87.0, r2 = -86.0, r3 = -58.0, r4 = -57.0,
 &end

# 55 GLU PHI:  (54 ASP C)-(55 GLU N)-(55 GLU CA)-(55 GLU C) -180.0   0.0
 &rst     iat =   841,   843,   845,   856,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 56 LEU PHI:  (55 GLU C)-(56 LEU N)-(56 LEU CA)-(56 LEU C) -166.0 -38.0
 &rst     iat =   856,   858,   860,   875,
   r1 = -167.0, r2 = -166.0, r3 = -38.0, r4 = -37.0,
 &end

# 57 SER PHI:  (56 LEU C)-(57 SER N)-(57 SER CA)-(57 SER C) -96.0 -32.0
 &rst     iat =   875,   877,   879,   886,
   r1 = -97.0, r2 = -96.0, r3 = -32.0, r4 = -31.0,
 &end

# 58 ASP PHI:  (57 SER C)-(58 ASP N)-(58 ASP CA)-(58 ASP C) -144.0 -40.0
 &rst     iat =   886,   888,   890,   898,
   r1 = -145.0, r2 = -144.0, r3 = -40.0, r4 = -39.0,
 &end

# 59 GLY PHI:  (58 ASP C)-(59 GLY N)-(59 GLY CA)-(59 GLY C) -180.0   0.0
 &rst     iat =   898,   900,   902,   905,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 60 SER PHI:  (59 GLY C)-(60 SER N)-(60 SER CA)-(60 SER C) -87.0 -43.0
 &rst     iat =   905,   907,   909,   916,
   r1 = -88.0, r2 = -87.0, r3 = -43.0, r4 = -42.0,
 &end

# 61 GLN PHI:  (60 SER C)-(61 GLN N)-(61 GLN CA)-(61 GLN C) -75.0 -55.0
 &rst     iat =   916,   918,   920,   933,
   r1 = -76.0, r2 = -75.0, r3 = -55.0, r4 = -54.0,
 &end

# 62 LEU PHI:  (61 GLN C)-(62 LEU N)-(62 LEU CA)-(62 LEU C) -68.0 -52.0
 &rst     iat =   933,   935,   937,   952,
   r1 = -69.0, r2 = -68.0, r3 = -52.0, r4 = -51.0,
 &end

# 63 GLN PHI:  (62 LEU C)-(63 GLN N)-(63 GLN CA)-(63 GLN C) -77.0 -53.0
 &rst     iat =   952,   954,   956,   969,
   r1 = -78.0, r2 = -77.0, r3 = -53.0, r4 = -52.0,
 &end

# 64 SER PHI:  (63 GLN C)-(64 SER N)-(64 SER CA)-(64 SER C) -74.0 -58.0
 &rst     iat =   969,   971,   973,   980,
   r1 = -75.0, r2 = -74.0, r3 = -58.0, r4 = -57.0,
 &end

# 65 ALA PHI:  (64 SER C)-(65 ALA N)-(65 ALA CA)-(65 ALA C) -74.0 -62.0
 &rst     iat =   980,   982,   984,   990,
   r1 = -75.0, r2 = -74.0, r3 = -62.0, r4 = -61.0,
 &end

# 66 LEU PHI:  (65 ALA C)-(66 LEU N)-(66 LEU CA)-(66 LEU C) -73.0 -49.0
 &rst     iat =   990,   992,   994,  1009,
   r1 = -74.0, r2 = -73.0, r3 = -49.0, r4 = -48.0,
 &end

# 67 ALA PHI:  (66 LEU C)-(67 ALA N)-(67 ALA CA)-(67 ALA C) -84.0 -56.0
 &rst     iat =  1009,  1011,  1013,  1019,
   r1 = -85.0, r2 = -84.0, r3 = -56.0, r4 = -55.0,
 &end

# 68 HIS PHI:  (67 ALA C)-(68 HIS N)-(68 HIS CA)-(68 HIS C) -84.0 -52.0
 &rst     iat =  1019,  1021,  1023,  1036,
   r1 = -85.0, r2 = -84.0, r3 = -52.0, r4 = -51.0,
 &end

# 69 TRP PHI:  (68 HIS C)-(69 TRP N)-(69 TRP CA)-(69 TRP C) -103.0 -59.0
 &rst     iat =  1036,  1038,  1040,  1060,
   r1 = -104.0, r2 = -103.0, r3 = -59.0, r4 = -58.0,
 &end

# 70 THR PHI:  (69 TRP C)-(70 THR N)-(70 THR CA)-(70 THR C) -137.0 -81.0
 &rst     iat =  1060,  1062,  1064,  1074,
   r1 = -138.0, r2 = -137.0, r3 = -81.0, r4 = -80.0,
 &end

# 77 ASN PHI:  (76 PRO C)-(77 ASN N)-(77 ASN CA)-(77 ASN C) -149.0 -77.0
 &rst     iat =  1156,  1158,  1160,  1170,
   r1 = -150.0, r2 = -149.0, r3 = -77.0, r4 = -76.0,
 &end

# 78 VAL PHI:  (77 ASN C)-(78 VAL N)-(78 VAL CA)-(78 VAL C) -131.0 -95.0
 &rst     iat =  1170,  1172,  1174,  1186,
   r1 = -132.0, r2 = -131.0, r3 = -95.0, r4 = -94.0,
 &end

# 79 PHE PHI:  (78 VAL C)-(79 PHE N)-(79 PHE CA)-(79 PHE C) -154.0 -90.0
 &rst     iat =  1186,  1188,  1190,  1206,
   r1 = -155.0, r2 = -154.0, r3 = -90.0, r4 = -89.0,
 &end

# 80 ILE PHI:  (79 PHE C)-(80 ILE N)-(80 ILE CA)-(80 ILE C) -159.0 -91.0
 &rst     iat =  1206,  1208,  1210,  1225,
   r1 = -160.0, r2 = -159.0, r3 = -91.0, r4 = -90.0,
 &end

# 88 CYS PHI:  (87 GLY C)-(88 CYS N)-(88 CYS CA)-(88 CYS C) -70.0 -46.0
 &rst     iat =  1311,  1313,  1315,  1322,
   r1 = -71.0, r2 = -70.0, r3 = -46.0, r4 = -45.0,
 &end

# 89 ASP PHI:  (88 CYS C)-(89 ASP N)-(89 ASP CA)-(89 ASP C) -76.0 -48.0
 &rst     iat =  1322,  1324,  1326,  1334,
   r1 = -77.0, r2 = -76.0, r3 = -48.0, r4 = -47.0,
 &end

# 90 THR PHI:  (89 ASP C)-(90 THR N)-(90 THR CA)-(90 THR C) -79.0 -51.0
 &rst     iat =  1334,  1336,  1338,  1348,
   r1 = -80.0, r2 = -79.0, r3 = -51.0, r4 = -50.0,
 &end

# 91 VAL PHI:  (90 THR C)-(91 VAL N)-(91 VAL CA)-(91 VAL C) -71.0 -55.0
 &rst     iat =  1348,  1350,  1352,  1364,
   r1 = -72.0, r2 = -71.0, r3 = -55.0, r4 = -54.0,
 &end

# 92 VAL PHI:  (91 VAL C)-(92 VAL N)-(92 VAL CA)-(92 VAL C) -75.0 -51.0
 &rst     iat =  1364,  1366,  1368,  1380,
   r1 = -76.0, r2 = -75.0, r3 = -51.0, r4 = -50.0,
 &end

# 93 GLU PHI:  (92 VAL C)-(93 GLU N)-(93 GLU CA)-(93 GLU C) -72.0 -56.0
 &rst     iat =  1380,  1382,  1384,  1395,
   r1 = -73.0, r2 = -72.0, r3 = -56.0, r4 = -55.0,
 &end

# 94 LYS PHI:  (93 GLU C)-(94 LYS N)-(94 LYS CA)-(94 LYS C) -72.0 -52.0
 &rst     iat =  1395,  1397,  1399,  1417,
   r1 = -73.0, r2 = -72.0, r3 = -52.0, r4 = -51.0,
 &end

# 95 HIS PHI:  (94 LYS C)-(95 HIS N)-(95 HIS CA)-(95 HIS C) -80.0 -56.0
 &rst     iat =  1417,  1419,  1421,  1434,
   r1 = -81.0, r2 = -80.0, r3 = -56.0, r4 = -55.0,
 &end

# 96 GLN PHI:  (95 HIS C)-(96 GLN N)-(96 GLN CA)-(96 GLN C) -78.0 -54.0
 &rst     iat =  1434,  1436,  1438,  1451,
   r1 = -79.0, r2 = -78.0, r3 = -54.0, r4 = -53.0,
 &end

# 97 ARG PHI:  (96 GLN C)-(97 ARG N)-(97 ARG CA)-(97 ARG C) -123.0 -63.0
 &rst     iat =  1451,  1453,  1455,  1475,
   r1 = -124.0, r2 = -123.0, r3 = -63.0, r4 = -62.0,
 &end

# 101 LEU PHI:  (100 LEU C)-(101 LEU N)-(101 LEU CA)-(101 LEU C) -75.0 -31.0
 &rst     iat =  1523,  1525,  1527,  1542,
   r1 = -76.0, r2 = -75.0, r3 = -31.0, r4 = -30.0,
 &end

# 103 LEU PHI:  (102 PRO C)-(103 LEU N)-(103 LEU CA)-(103 LEU C) -81.0 -49.0
 &rst     iat =  1556,  1558,  1560,  1575,
   r1 = -82.0, r2 = -81.0, r3 = -49.0, r4 = -48.0,
 &end

# 104 LEU PHI:  (103 LEU C)-(104 LEU N)-(104 LEU CA)-(104 LEU C) -76.0 -56.0
 &rst     iat =  1575,  1577,  1579,  1594,
   r1 = -77.0, r2 = -76.0, r3 = -56.0, r4 = -55.0,
 &end

# 105 GLN PHI:  (104 LEU C)-(105 GLN N)-(105 GLN CA)-(105 GLN C) -75.0 -51.0
 &rst     iat =  1594,  1596,  1598,  1611,
   r1 = -76.0, r2 = -75.0, r3 = -51.0, r4 = -50.0,
 &end

# 106 ASP PHI:  (105 GLN C)-(106 ASP N)-(106 ASP CA)-(106 ASP C) -81.0 -53.0
 &rst     iat =  1611,  1613,  1615,  1623,
   r1 = -82.0, r2 = -81.0, r3 = -53.0, r4 = -52.0,
 &end

# 4 LYS PSI:  (4 LYS N)-(4 LYS CA)-(4 LYS C)-(5 GLN N) -51.0 -11.0
 &rst     iat =    41,    43,    61,    63,
   r1 = -52.0, r2 = -51.0, r3 = -11.0, r4 = -10.0,
 &end

# 5 GLN PSI:  (5 GLN N)-(5 GLN CA)-(5 GLN C)-(6 GLU N) -50.0 -30.0
 &rst     iat =    63,    65,    78,    80,
   r1 = -51.0, r2 = -50.0, r3 = -30.0, r4 = -29.0,
 &end

# 6 GLU PSI:  (6 GLU N)-(6 GLU CA)-(6 GLU C)-(7 LEU N) -54.0 -30.0
 &rst     iat =    80,    82,    93,    95,
   r1 = -55.0, r2 = -54.0, r3 = -30.0, r4 = -29.0,
 &end

# 7 LEU PSI:  (7 LEU N)-(7 LEU CA)-(7 LEU C)-(8 ASP N) -49.0 -33.0
 &rst     iat =    95,    97,   112,   114,
   r1 = -50.0, r2 = -49.0, r3 = -33.0, r4 = -32.0,
 &end

# 8 ASP PSI:  (8 ASP N)-(8 ASP CA)-(8 ASP C)-(9 ALA N) -48.0 -28.0
 &rst     iat =   114,   116,   124,   126,
   r1 = -49.0, r2 = -48.0, r3 = -28.0, r4 = -27.0,
 &end

# 9 ALA PSI:  (9 ALA N)-(9 ALA CA)-(9 ALA C)-(10 ALA N) -62.0 -14.0
 &rst     iat =   126,   128,   134,   136,
   r1 = -63.0, r2 = -62.0, r3 = -14.0, r4 = -13.0,
 &end

# 10 ALA PSI:  (10 ALA N)-(10 ALA CA)-(10 ALA C)-(11 LEU N) -57.0 -17.0
 &rst     iat =   136,   138,   144,   146,
   r1 = -58.0, r2 = -57.0, r3 = -17.0, r4 = -16.0,
 &end

# 11 LEU PSI:  (11 LEU N)-(11 LEU CA)-(11 LEU C)-(12 LYS N) -55.0 -31.0
 &rst     iat =   146,   148,   163,   165,
   r1 = -56.0, r2 = -55.0, r3 = -31.0, r4 = -30.0,
 &end

# 12 LYS PSI:  (12 LYS N)-(12 LYS CA)-(12 LYS C)-(13 LYS N) -49.0 -29.0
 &rst     iat =   165,   167,   185,   187,
   r1 = -50.0, r2 = -49.0, r3 = -29.0, r4 = -28.0,
 &end

# 13 LYS PSI:  (13 LYS N)-(13 LYS CA)-(13 LYS C)-(14 ALA N) -59.0 -11.0
 &rst     iat =   187,   189,   207,   209,
   r1 = -60.0, r2 = -59.0, r3 = -11.0, r4 = -10.0,
 &end

# 14 ALA PSI:  (14 ALA N)-(14 ALA CA)-(14 ALA C)-(15 LYS N) -50.0 -30.0
 &rst     iat =   209,   211,   217,   219,
   r1 = -51.0, r2 = -50.0, r3 = -30.0, r4 = -29.0,
 &end

# 15 LYS PSI:  (15 LYS N)-(15 LYS CA)-(15 LYS C)-(16 GLU N) -54.0 -30.0
 &rst     iat =   219,   221,   239,   241,
   r1 = -55.0, r2 = -54.0, r3 = -30.0, r4 = -29.0,
 &end

# 16 GLU PSI:  (16 GLU N)-(16 GLU CA)-(16 GLU C)-(17 LEU N) -56.0 -32.0
 &rst     iat =   241,   243,   254,   256,
   r1 = -57.0, r2 = -56.0, r3 = -32.0, r4 = -31.0,
 &end

# 17 LEU PSI:  (17 LEU N)-(17 LEU CA)-(17 LEU C)-(18 ALA N) -56.0 -12.0
 &rst     iat =   256,   258,   273,   275,
   r1 = -57.0, r2 = -56.0, r3 = -12.0, r4 = -11.0,
 &end

# 18 ALA PSI:  (18 ALA N)-(18 ALA CA)-(18 ALA C)-(19 SER N) -51.0 -15.0
 &rst     iat =   275,   277,   283,   285,
   r1 = -52.0, r2 = -51.0, r3 = -15.0, r4 = -14.0,
 &end

# 19 SER PSI:  (19 SER N)-(19 SER CA)-(19 SER C)-(20 SER N) -56.0  48.0
 &rst     iat =   285,   287,   294,   296,
   r1 = -57.0, r2 = -56.0, r3 =  48.0, r4 =  49.0,
 &end

# 23 VAL PSI:  (23 VAL N)-(23 VAL CA)-(23 VAL C)-(24 VAL N) 127.0 171.0
 &rst     iat =   331,   333,   345,   347,
   r1 = 126.0, r2 = 127.0, r3 = 171.0, r4 = 172.0,
 &end

# 24 VAL PSI:  (24 VAL N)-(24 VAL CA)-(24 VAL C)-(25 VAL N) 107.0 155.0
 &rst     iat =   347,   349,   361,   363,
   r1 = 106.0, r2 = 107.0, r3 = 155.0, r4 = 156.0,
 &end

# 25 VAL PSI:  (25 VAL N)-(25 VAL CA)-(25 VAL C)-(26 PHE N)  90.0 170.0
 &rst     iat =   363,   365,   377,   379,
   r1 =  89.0, r2 =  90.0, r3 = 170.0, r4 = 171.0,
 &end

# 26 PHE PSI:  (26 PHE N)-(26 PHE CA)-(26 PHE C)-(27 SER N) 112.0 144.0
 &rst     iat =   379,   381,   397,   399,
   r1 = 111.0, r2 = 112.0, r3 = 144.0, r4 = 145.0,
 &end

# 27 SER PSI:  (27 SER N)-(27 SER CA)-(27 SER C)-(28 LYS N)  83.0 199.0
 &rst     iat =   399,   401,   408,   410,
   r1 =  82.0, r2 =  83.0, r3 = 199.0, r4 = 200.0,
 &end

# 28 LYS PSI:  (28 LYS N)-(28 LYS CA)-(28 LYS C)-(29 THR N)  86.0 218.0
 &rst     iat =   410,   412,   430,   432,
   r1 =  85.0, r2 =  86.0, r3 = 218.0, r4 = 219.0,
 &end

# 29 THR PSI:  (29 THR N)-(29 THR CA)-(29 THR C)-(30 TYR N) -45.0  -1.0
 &rst     iat =   432,   434,   444,   446,
   r1 = -46.0, r2 = -45.0, r3 =  -1.0, r4 =   0.0,
 &end

# 30 TYR PSI:  (30 TYR N)-(30 TYR CA)-(30 TYR C)-(31 CYS N) -120.0  60.0
 &rst     iat =   446,   448,   465,   467,
   r1 = -121.0, r2 = -120.0, r3 =  60.0, r4 =  61.0,
 &end

# 31 CYS PSI:  (31 CYS N)-(31 CYS CA)-(31 CYS C)-(32 GLY N)  69.0 189.0
 &rst     iat =   467,   469,   475,   477,
   r1 =  68.0, r2 =  69.0, r3 = 189.0, r4 = 190.0,
 &end

# 32 GLY PSI:  (32 GLY N)-(32 GLY CA)-(32 GLY C)-(33 TYR N) -56.0 -16.0
 &rst     iat =   477,   479,   482,   484,
   r1 = -57.0, r2 = -56.0, r3 = -16.0, r4 = -15.0,
 &end

# 33 TYR PSI:  (33 TYR N)-(33 TYR CA)-(33 TYR C)-(34 CYS N) -58.0  -6.0
 &rst     iat =   484,   486,   503,   505,
   r1 = -59.0, r2 = -58.0, r3 =  -6.0, r4 =  -5.0,
 &end

# 34 CYS PSI:  (34 CYS N)-(34 CYS CA)-(34 CYS C)-(35 ASN N) -61.0 -29.0
 &rst     iat =   505,   507,   514,   516,
   r1 = -62.0, r2 = -61.0, r3 = -29.0, r4 = -28.0,
 &end

# 35 ASN PSI:  (35 ASN N)-(35 ASN CA)-(35 ASN C)-(36 ARG N) -53.0 -29.0
 &rst     iat =   516,   518,   528,   530,
   r1 = -54.0, r2 = -53.0, r3 = -29.0, r4 = -28.0,
 &end

# 36 ARG PSI:  (36 ARG N)-(36 ARG CA)-(36 ARG C)-(37 VAL N) -57.0 -21.0
 &rst     iat =   530,   532,   552,   554,
   r1 = -58.0, r2 = -57.0, r3 = -21.0, r4 = -20.0,
 &end

# 37 VAL PSI:  (37 VAL N)-(37 VAL CA)-(37 VAL C)-(38 LYS N) -54.0 -30.0
 &rst     iat =   554,   556,   568,   570,
   r1 = -55.0, r2 = -54.0, r3 = -30.0, r4 = -29.0,
 &end

# 38 LYS PSI:  (38 LYS N)-(38 LYS CA)-(38 LYS C)-(39 GLN N) -52.0 -32.0
 &rst     iat =   570,   572,   590,   592,
   r1 = -53.0, r2 = -52.0, r3 = -32.0, r4 = -31.0,
 &end

# 39 GLN PSI:  (39 GLN N)-(39 GLN CA)-(39 GLN C)-(40 LEU N) -51.0 -23.0
 &rst     iat =   592,   594,   607,   609,
   r1 = -52.0, r2 = -51.0, r3 = -23.0, r4 = -22.0,
 &end

# 40 LEU PSI:  (40 LEU N)-(40 LEU CA)-(40 LEU C)-(41 LEU N) -54.0 -34.0
 &rst     iat =   609,   611,   626,   628,
   r1 = -55.0, r2 = -54.0, r3 = -34.0, r4 = -33.0,
 &end

# 41 LEU PSI:  (41 LEU N)-(41 LEU CA)-(41 LEU C)-(42 THR N) -54.0 -30.0
 &rst     iat =   628,   630,   645,   647,
   r1 = -55.0, r2 = -54.0, r3 = -30.0, r4 = -29.0,
 &end

# 42 THR PSI:  (42 THR N)-(42 THR CA)-(42 THR C)-(43 GLN N) -49.0 -33.0
 &rst     iat =   647,   649,   659,   661,
   r1 = -50.0, r2 = -49.0, r3 = -33.0, r4 = -32.0,
 &end

# 43 GLN PSI:  (43 GLN N)-(43 GLN CA)-(43 GLN C)-(44 VAL N) -53.0  -9.0
 &rst     iat =   661,   663,   676,   678,
   r1 = -54.0, r2 = -53.0, r3 =  -9.0, r4 =  -8.0,
 &end

# 44 VAL PSI:  (44 VAL N)-(44 VAL CA)-(44 VAL C)-(45 GLY N) -29.0  31.0
 &rst     iat =   678,   680,   692,   694,
   r1 = -30.0, r2 = -29.0, r3 =  31.0, r4 =  32.0,
 &end

# 49 LYS PSI:  (49 LYS N)-(49 LYS CA)-(49 LYS C)-(50 VAL N) 112.0 156.0
 &rst     iat =   743,   745,   763,   765,
   r1 = 111.0, r2 = 112.0, r3 = 156.0, r4 = 157.0,
 &end

# 50 VAL PSI:  (50 VAL N)-(50 VAL CA)-(50 VAL C)-(51 VAL N) 102.0 158.0
 &rst     iat =   765,   767,   779,   781,
   r1 = 101.0, r2 = 102.0, r3 = 158.0, r4 = 159.0,
 &end

# 51 VAL PSI:  (51 VAL N)-(51 VAL CA)-(51 VAL C)-(52 GLU N)  79.0 175.0
 &rst     iat =   781,   783,   795,   797,
   r1 =  78.0, r2 =  79.0, r3 = 175.0, r4 = 176.0,
 &end

# 52 GLU PSI:  (52 GLU N)-(52 GLU CA)-(52 GLU C)-(53 LEU N)  71.0 159.0
 &rst     iat =   797,   799,   810,   812,
   r1 =  70.0, r2 =  71.0, r3 = 159.0, r4 = 160.0,
 &end

# 53 LEU PSI:  (53 LEU N)-(53 LEU CA)-(53 LEU C)-(54 ASP N) -55.0   1.0
 &rst     iat =   812,   814,   829,   831,
   r1 = -56.0, r2 = -55.0, r3 =   1.0, r4 =   2.0,
 &end

# 54 ASP PSI:  (54 ASP N)-(54 ASP CA)-(54 ASP C)-(55 GLU N) -36.0  16.0
 &rst     iat =   831,   833,   841,   843,
   r1 = -37.0, r2 = -36.0, r3 =  16.0, r4 =  17.0,
 &end

# 55 GLU PSI:  (55 GLU N)-(55 GLU CA)-(55 GLU C)-(56 LEU N) -120.0  60.0
 &rst     iat =   843,   845,   856,   858,
   r1 = -121.0, r2 = -120.0, r3 =  60.0, r4 =  61.0,
 &end

# 56 LEU PSI:  (56 LEU N)-(56 LEU CA)-(56 LEU C)-(57 SER N)  77.0 217.0
 &rst     iat =   858,   860,   875,   877,
   r1 =  76.0, r2 =  77.0, r3 = 217.0, r4 = 218.0,
 &end

# 57 SER PSI:  (57 SER N)-(57 SER CA)-(57 SER C)-(58 ASP N) -47.0  -7.0
 &rst     iat =   877,   879,   886,   888,
   r1 = -48.0, r2 = -47.0, r3 =  -7.0, r4 =  -6.0,
 &end

# 58 ASP PSI:  (58 ASP N)-(58 ASP CA)-(58 ASP C)-(59 GLY N) -52.0  56.0
 &rst     iat =   888,   890,   898,   900,
   r1 = -53.0, r2 = -52.0, r3 =  56.0, r4 =  57.0,
 &end

# 59 GLY PSI:  (59 GLY N)-(59 GLY CA)-(59 GLY C)-(60 SER N) -120.0  60.0
 &rst     iat =   900,   902,   905,   907,
   r1 = -121.0, r2 = -120.0, r3 =  60.0, r4 =  61.0,
 &end

# 60 SER PSI:  (60 SER N)-(60 SER CA)-(60 SER C)-(61 GLN N) -53.0 -21.0
 &rst     iat =   907,   909,   916,   918,
   r1 = -54.0, r2 = -53.0, r3 = -21.0, r4 = -20.0,
 &end

# 61 GLN PSI:  (61 GLN N)-(61 GLN CA)-(61 GLN C)-(62 LEU N) -54.0 -30.0
 &rst     iat =   918,   920,   933,   935,
   r1 = -55.0, r2 = -54.0, r3 = -30.0, r4 = -29.0,
 &end

# 62 LEU PSI:  (62 LEU N)-(62 LEU CA)-(62 LEU C)-(63 GLN N) -52.0 -32.0
 &rst     iat =   935,   937,   952,   954,
   r1 = -53.0, r2 = -52.0, r3 = -32.0, r4 = -31.0,
 &end

# 63 GLN PSI:  (63 GLN N)-(63 GLN CA)-(63 GLN C)-(64 SER N) -56.0 -28.0
 &rst     iat =   954,   956,   969,   971,
   r1 = -57.0, r2 = -56.0, r3 = -28.0, r4 = -27.0,
 &end

# 64 SER PSI:  (64 SER N)-(64 SER CA)-(64 SER C)-(65 ALA N) -52.0 -32.0
 &rst     iat =   971,   973,   980,   982,
   r1 = -53.0, r2 = -52.0, r3 = -32.0, r4 = -31.0,
 &end

# 65 ALA PSI:  (65 ALA N)-(65 ALA CA)-(65 ALA C)-(66 LEU N) -51.0 -31.0
 &rst     iat =   982,   984,   990,   992,
   r1 = -52.0, r2 = -51.0, r3 = -31.0, r4 = -30.0,
 &end

# 66 LEU PSI:  (66 LEU N)-(66 LEU CA)-(66 LEU C)-(67 ALA N) -49.0 -29.0
 &rst     iat =   992,   994,  1009,  1011,
   r1 = -50.0, r2 = -49.0, r3 = -29.0, r4 = -28.0,
 &end

# 67 ALA PSI:  (67 ALA N)-(67 ALA CA)-(67 ALA C)-(68 HIS N) -54.0 -22.0
 &rst     iat =  1011,  1013,  1019,  1021,
   r1 = -55.0, r2 = -54.0, r3 = -22.0, r4 = -21.0,
 &end

# 68 HIS PSI:  (68 HIS N)-(68 HIS CA)-(68 HIS C)-(69 TRP N) -68.0 -12.0
 &rst     iat =  1021,  1023,  1036,  1038,
   r1 = -69.0, r2 = -68.0, r3 = -12.0, r4 = -11.0,
 &end

# 69 TRP PSI:  (69 TRP N)-(69 TRP CA)-(69 TRP C)-(70 THR N) -61.0  -1.0
 &rst     iat =  1038,  1040,  1060,  1062,
   r1 = -62.0, r2 = -61.0, r3 =  -1.0, r4 =   0.0,
 &end

# 70 THR PSI:  (70 THR N)-(70 THR CA)-(70 THR C)-(71 GLY N) -40.0  20.0
 &rst     iat =  1062,  1064,  1074,  1076,
   r1 = -41.0, r2 = -40.0, r3 =  20.0, r4 =  21.0,
 &end

# 76 PRO PSI:  (76 PRO N)-(76 PRO CA)-(76 PRO C)-(77 ASN N) 111.0 171.0
 &rst     iat =  1144,  1154,  1156,  1158,
   r1 = 110.0, r2 = 111.0, r3 = 171.0, r4 = 172.0,
 &end

# 77 ASN PSI:  (77 ASN N)-(77 ASN CA)-(77 ASN C)-(78 VAL N) 103.0 143.0
 &rst     iat =  1158,  1160,  1170,  1172,
   r1 = 102.0, r2 = 103.0, r3 = 143.0, r4 = 144.0,
 &end

# 78 VAL PSI:  (78 VAL N)-(78 VAL CA)-(78 VAL C)-(79 PHE N) 114.0 146.0
 &rst     iat =  1172,  1174,  1186,  1188,
   r1 = 113.0, r2 = 114.0, r3 = 146.0, r4 = 147.0,
 &end

# 79 PHE PSI:  (79 PHE N)-(79 PHE CA)-(79 PHE C)-(80 ILE N) 120.0 172.0
 &rst     iat =  1188,  1190,  1206,  1208,
   r1 = 119.0, r2 = 120.0, r3 = 172.0, r4 = 173.0,
 &end

# 80 ILE PSI:  (80 ILE N)-(80 ILE CA)-(80 ILE C)-(81 GLY N)  89.0 169.0
 &rst     iat =  1208,  1210,  1225,  1227,
   r1 =  88.0, r2 =  89.0, r3 = 169.0, r4 = 170.0,
 &end

# 88 CYS PSI:  (88 CYS N)-(88 CYS CA)-(88 CYS C)-(89 ASP N) -64.0 -24.0
 &rst     iat =  1313,  1315,  1322,  1324,
   r1 = -65.0, r2 = -64.0, r3 = -24.0, r4 = -23.0,
 &end

# 89 ASP PSI:  (89 ASP N)-(89 ASP CA)-(89 ASP C)-(90 THR N) -58.0 -18.0
 &rst     iat =  1324,  1326,  1334,  1336,
   r1 = -59.0, r2 = -58.0, r3 = -18.0, r4 = -17.0,
 &end

# 90 THR PSI:  (90 THR N)-(90 THR CA)-(90 THR C)-(91 VAL N) -52.0 -36.0
 &rst     iat =  1336,  1338,  1348,  1350,
   r1 = -53.0, r2 = -52.0, r3 = -36.0, r4 = -35.0,
 &end

# 91 VAL PSI:  (91 VAL N)-(91 VAL CA)-(91 VAL C)-(92 VAL N) -55.0 -35.0
 &rst     iat =  1350,  1352,  1364,  1366,
   r1 = -56.0, r2 = -55.0, r3 = -35.0, r4 = -34.0,
 &end

# 92 VAL PSI:  (92 VAL N)-(92 VAL CA)-(92 VAL C)-(93 GLU N) -56.0 -28.0
 &rst     iat =  1366,  1368,  1380,  1382,
   r1 = -57.0, r2 = -56.0, r3 = -28.0, r4 = -27.0,
 &end

# 93 GLU PSI:  (93 GLU N)-(93 GLU CA)-(93 GLU C)-(94 LYS N) -50.0 -26.0
 &rst     iat =  1382,  1384,  1395,  1397,
   r1 = -51.0, r2 = -50.0, r3 = -26.0, r4 = -25.0,
 &end

# 94 LYS PSI:  (94 LYS N)-(94 LYS CA)-(94 LYS C)-(95 HIS N) -57.0 -29.0
 &rst     iat =  1397,  1399,  1417,  1419,
   r1 = -58.0, r2 = -57.0, r3 = -29.0, r4 = -28.0,
 &end

# 95 HIS PSI:  (95 HIS N)-(95 HIS CA)-(95 HIS C)-(96 GLN N) -54.0 -26.0
 &rst     iat =  1419,  1421,  1434,  1436,
   r1 = -55.0, r2 = -54.0, r3 = -26.0, r4 = -25.0,
 &end

# 96 GLN PSI:  (96 GLN N)-(96 GLN CA)-(96 GLN C)-(97 ARG N) -45.0 -21.0
 &rst     iat =  1436,  1438,  1451,  1453,
   r1 = -46.0, r2 = -45.0, r3 = -21.0, r4 = -20.0,
 &end

# 97 ARG PSI:  (97 ARG N)-(97 ARG CA)-(97 ARG C)-(98 ASN N) -24.0  24.0
 &rst     iat =  1453,  1455,  1475,  1477,
   r1 = -25.0, r2 = -24.0, r3 =  24.0, r4 =  25.0,
 &end

# 101 LEU PSI:  (101 LEU N)-(101 LEU CA)-(101 LEU C)-(102 PRO N) -63.0 -27.0
 &rst     iat =  1525,  1527,  1542,  1544,
   r1 = -64.0, r2 = -63.0, r3 = -27.0, r4 = -26.0,
 &end

# 102 PRO PSI:  (102 PRO N)-(102 PRO CA)-(102 PRO C)-(103 LEU N) -53.0 -13.0
 &rst     iat =  1544,  1554,  1556,  1558,
   r1 = -54.0, r2 = -53.0, r3 = -13.0, r4 = -12.0,
 &end

# 103 LEU PSI:  (103 LEU N)-(103 LEU CA)-(103 LEU C)-(104 LEU N) -59.0 -27.0
 &rst     iat =  1558,  1560,  1575,  1577,
   r1 = -60.0, r2 = -59.0, r3 = -27.0, r4 = -26.0,
 &end

# 104 LEU PSI:  (104 LEU N)-(104 LEU CA)-(104 LEU C)-(105 GLN N) -57.0 -25.0
 &rst     iat =  1577,  1579,  1594,  1596,
   r1 = -58.0, r2 = -57.0, r3 = -25.0, r4 = -24.0,
 &end

# 105 GLN PSI:  (105 GLN N)-(105 GLN CA)-(105 GLN C)-(106 ASP N) -54.0 -26.0
 &rst     iat =  1596,  1598,  1611,  1613,
   r1 = -55.0, r2 = -54.0, r3 = -26.0, r4 = -25.0,
 &end

# 106 ASP PSI:  (106 ASP N)-(106 ASP CA)-(106 ASP C)-(107 ALA N) -49.0  -5.0
 &rst     iat =  1613,  1615,  1623,  1625,
   r1 = -50.0, r2 = -49.0, r3 =  -5.0, r4 =  -4.0,
 &end

#
#  24 VAL  HN     79 PHE  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 348,1207, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
#  24 VAL  N      79 PHE  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 347,1207, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  26 PHE  HN     77 ASN  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 380,1171, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  26 PHE  N      77 ASN  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 379,1171, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  26 PHE  O      77 ASN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 398,1159, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  26 PHE  O      77 ASN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 398,1158, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  24 VAL  O      79 PHE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 362,1189, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  24 VAL  O      79 PHE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 362,1188, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  23 VAL  O      49 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 744, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  23 VAL  O      49 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 743, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  25 VAL  O      51 VAL  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 782, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  25 VAL  O      51 VAL  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 781, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  27 SER  O      53 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 813, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  27 SER  O      53 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 812, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  25 VAL  HN     49 LYS+ O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 764, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  25 VAL  N      49 LYS+ O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 764, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  27 SER  HN     51 VAL  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 796, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  27 SER  N      51 VAL  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 796, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  80 ILE  O      83 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1226,1242, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  80 ILE  O      83 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1226,1241, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  78 VAL  O      85 ILE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1187,1281, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  78 VAL  O      85 ILE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1187,1280, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  80 ILE  HN     83 LYS+ O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1209,1262, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  80 ILE  N      83 LYS+ O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1262, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  78 VAL  HN     86 GLY  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1173,1305, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  78 VAL  N      86 GLY  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1172,1305, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   4 LYS+ O       8 ASP- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 115, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   4 LYS+ O       8 ASP- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 114, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   5 GLN  O       9 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  79, 127, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   5 GLN  O       9 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  79, 126, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   6 GLU- O      10 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  94, 137, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   6 GLU- O      10 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  94, 136, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   7 LEU  O      11 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 147, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   7 LEU  O      11 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 146, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   8 ASP- O      12 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 166, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   8 ASP- O      12 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 165, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   9 ALA  O      13 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 188, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   9 ALA  O      13 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 187, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  10 ALA  O      14 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 210, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  10 ALA  O      14 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 209, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  11 LEU  O      15 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 220, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  11 LEU  O      15 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 219, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  12 LYS+ O      16 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 242, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  12 LYS+ O      16 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 241, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  13 LYS+ O      17 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 257, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  13 LYS+ O      17 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 256, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  14 ALA  O      18 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 276, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  14 ALA  O      18 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 275, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  31 CYS  O      35 ASN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 517, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  31 CYS  O      35 ASN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 516, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  32 GLY  O      36 ARG+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 531, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  32 GLY  O      36 ARG+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 530, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  33 TYR  O      37 VAL  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 555, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  33 TYR  O      37 VAL  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 554, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  34 CYS  O      38 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 571, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  34 CYS  O      38 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 570, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  35 ASN  O      39 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 593, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  35 ASN  O      39 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 592, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  36 ARG+ O      40 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 610, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  36 ARG+ O      40 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 609, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  37 VAL  O      41 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 629, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  37 VAL  O      41 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 628, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  38 LYS+ O      42 THR  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 648, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  38 LYS+ O      42 THR  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 647, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  39 GLN  O      43 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 662, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  39 GLN  O      43 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 661, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  59 GLY  O      63 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 955, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  59 GLY  O      63 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 954, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  60 SER  O      64 SER  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 972, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  60 SER  O      64 SER  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 971, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  61 GLN  O      65 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 983, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  61 GLN  O      65 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 982, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  62 LEU  O      66 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 993, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  62 LEU  O      66 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 992, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  63 GLN  O      67 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 970,1012, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  63 GLN  O      67 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 970,1011, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  64 SER  O      68 HIS  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 981,1022, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  64 SER  O      68 HIS  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 981,1021, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  88 CYS  O      92 VAL  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1367, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  88 CYS  O      92 VAL  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1366, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  89 ASP- O      93 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1335,1383, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  89 ASP- O      93 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1335,1382, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  90 THR  O      94 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1349,1398, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  90 THR  O      94 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1349,1397, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  91 VAL  O      95 HIS  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1365,1420, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  91 VAL  O      95 HIS  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1365,1419, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  92 VAL  O      96 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1437, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  92 VAL  O      96 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1436, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 101 LEU  O     105 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1543,1597, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 101 LEU  O     105 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1543,1596, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 102 PRO  O     106 ASP- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1557,1614, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 102 PRO  O     106 ASP- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1557,1613, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 103 LEU  O     107 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1576,1626, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 103 LEU  O     107 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1576,1625, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   69 TRP  HN            0 AMB  25-1:0      4.50    (#      0:25  Single Ambig)
 &rst
  ixpk= 0, nxpk= 25, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2=1043,1044,1026,1027,
 &end
#
#   30 TYR  HE           31 CYS  HB+         5.50    (#      1:25  Unique         4.74, 6.27 A)
 &rst
  ixpk= 1, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 457, 462,
 igr2= 473, 472,
 &end
#
#   30 TYR  HE           31 CYS  HB-         4.50    (#      2:25  Unique         4.74, 6.27 A)
 &rst
  ixpk= 2, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 457, 462,
 igr2= 473, 472,
 &end
#
#   97 ARG  HN           97 ARG  HB+         4.50    (#      3:25  Unique         2.32, 3.02 A)
 &rst
  ixpk= 3, nxpk= 25, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1458,1459,
 &end
#
#   97 ARG  HN           97 ARG  HB-         5.50    (#      4:25  Unique         2.32, 3.02 A)
 &rst
  ixpk= 4, nxpk= 25, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1458,1459,
 &end
#
#   65 ALA  HN           64 SER  HB+         4.50    (#      5:25  Unique         2.48, 3.21 A)
 &rst
  ixpk= 5, nxpk= 25, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 976, 977,
 &end
#
#   64 SER  HN           64 SER  HB+         3.50    (#      6:25  Unique         2.54, 3.09 A)
 &rst
  ixpk= 6, nxpk= 25, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 976, 977,
 &end
#
#   65 ALA  HN           64 SER  HB-         4.50    (#      7:25  Unique         2.48, 3.21 A)
 &rst
  ixpk= 7, nxpk= 25, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 976, 977,
 &end
#
#   64 SER  HN           64 SER  HB-         3.50    (#      8:25  Unique         2.54, 3.09 A)
 &rst
  ixpk= 8, nxpk= 25, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 976, 977,
 &end
#
#   55 GLU  HN           55 GLU  HB+         4.50    (#      9:25  Unique         2.34, 2.92 A)
 &rst
  ixpk= 9, nxpk= 25, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 848, 849,
 &end
#
#   55 GLU  HN           55 GLU  HB-         4.50    (#     10:25  Unique         2.34, 2.92 A)
 &rst
  ixpk= 10, nxpk= 25, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 848, 849,
 &end
#
#   58 ASP  HN           57 SER  QB          4.50    (#     11:25  Unique         2.96, 3.70 A)
 &rst
  ixpk= 11, nxpk= 25, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 882, 883,
 &end
#
#   60 SER  HN           60 SER  HA          4.50    (#     12:25  Unique         2.76, 2.78 A)
 &rst
  ixpk= 12, nxpk= 25, iat= 908, 910, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:13       0 AMB  25-1:13     4.50    (#     13:25  Double Ambig)
 &rst
  ixpk= 13, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 955, 936,
 igr2= 910, 976, 977,
 &end
#
#   89 ASP  HN           88 CYS  HA          5.50    (#     14:25  Unique         3.58, 3.59 A)
 &rst
  ixpk= 14, nxpk= 25, iat=1325,1316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91 VAL  HN           88 CYS  HA          5.50    (#     15:25  Unique         3.56, 3.64 A)
 &rst
  ixpk= 15, nxpk= 25, iat=1351,1316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 CYS  HN           88 CYS  HA          5.50    (#     16:25  Unique         2.77, 2.79 A)
 &rst
  ixpk= 16, nxpk= 25, iat=1314,1316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 HIS  HN           68 HIS  HB+         3.50    (#     17:25  Unique         2.06, 2.45 A)
 &rst
  ixpk= 17, nxpk= 25, iat=1022,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1026,1027,
 &end
#
#   68 HIS  HD2          68 HIS  HB+         5.50    (#     18:25  Unique         2.58, 3.22 A)
 &rst
  ixpk= 18, nxpk= 25, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1026,1027,
 &end
#
#   69 TRP  HN           68 HIS  HB-         4.50    (#     19:25  Unique         2.75, 3.47 A)
 &rst
  ixpk= 19, nxpk= 25, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1026,1027,
 &end
#
#    0 AMB  25-2:20      68 HIS  HB-         5.50    (#     20:25  Single Ambig)
 &rst
  ixpk= 20, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1012, 983,1063,
 igr2=1026,1027,
 &end
#
#   68 HIS  HN           68 HIS  HB-         3.50    (#     21:25  Unique         2.06, 2.45 A)
 &rst
  ixpk= 21, nxpk= 25, iat=1022,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1026,1027,
 &end
#
#   68 HIS  HD2          68 HIS  HB-         5.50    (#     22:25  Unique         2.58, 3.22 A)
 &rst
  ixpk= 22, nxpk= 25, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1026,1027,
 &end
#
#   61 GLN  HN            0 AMB  25-1:23     4.50    (#     23:25  Single Ambig)
 &rst
  ixpk= 23, nxpk= 25, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 910, 976, 977,
 &end
#
#    7 LEU  HN            6 GLU  HB-         4.50    (#     24:25  Unique         2.57, 3.22 A)
 &rst
  ixpk= 24, nxpk= 25, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  85,  86,
 &end
#
#    6 GLU  HN            6 GLU  HB-         3.50    (#     25:25  Unique         2.28, 2.95 A)
 &rst
  ixpk= 25, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  85,  86,
 &end
#
#    7 LEU  HN            6 GLU  HB+         4.50    (#     26:25  Unique         2.57, 3.22 A)
 &rst
  ixpk= 26, nxpk= 25, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  85,  86,
 &end
#
#    6 GLU  HN            6 GLU  HB+         4.50    (#     27:25  Unique         2.28, 2.95 A)
 &rst
  ixpk= 27, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  85,  86,
 &end
#
#   33 TYR  HN           33 TYR  HA          5.50    (#     28:25  Unique         2.84, 2.86 A)
 &rst
  ixpk= 28, nxpk= 25, iat= 485, 487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 SER  HN           60 SER  QB          5.50    (#     29:25  Unique         2.66, 3.11 A)
 &rst
  ixpk= 29, nxpk= 25, iat= 908,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 912, 913,
 &end
#
#    0 AMB  25-2:31      64 SER  HA          4.50    (#     31:25  Single Ambig)
 &rst
  ixpk= 31, nxpk= 25, iat=  -1, 974, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1012, 983,
 &end
#
#   64 SER  HN           64 SER  HA          4.50    (#     32:25  Unique         2.81, 2.84 A)
 &rst
  ixpk= 32, nxpk= 25, iat= 972, 974, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 THR  HN           70 THR  HA          4.50    (#     33:25  Unique         2.90, 2.95 A)
 &rst
  ixpk= 33, nxpk= 25, iat=1063,1065, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:34      70 THR  HA          4.50    (#     34:25  Single Ambig)
 &rst
  ixpk= 34, nxpk= 25, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1077,1168,1169,
 &end
#
#    0 AMB  25-2:35       0 AMB  25-1:35     5.50    (#     35:25  Double Ambig)
 &rst
  ixpk= 35, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1680, 517,
 igr2=1658, 487,
 &end
#
#   33 TYR  HD           33 TYR  HA          4.50    (#     36:25  Unique         2.42, 3.46 A)
 &rst
  ixpk= 36, nxpk= 25, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 493, 502,
 &end
#
#    0 AMB  25-2:37      60 SER  QB          5.50    (#     37:25  Single Ambig)
 &rst
  ixpk= 37, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 936, 955,
 igr2= 912, 913,
 &end
#
#   44 VAL  HN           44 VAL  HA          3.50    (#     38:25  Unique         2.86, 2.92 A)
 &rst
  ixpk= 38, nxpk= 25, iat= 679, 681, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ARG  HN           36 ARG  HB-         3.50    (#     39:25  Unique         2.32, 2.64 A)
 &rst
  ixpk= 39, nxpk= 25, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 535, 536,
 &end
#
#  116 GLN  HN          116 GLN  HB+         5.50    (#     40:25  Unique         2.48, 3.42 A)
 &rst
  ixpk= 40, nxpk= 25, iat=1740,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1744,1745,
 &end
#
#   36 ARG  HN           36 ARG  HB+         3.50    (#     41:25  Unique         2.32, 2.64 A)
 &rst
  ixpk= 41, nxpk= 25, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 535, 536,
 &end
#
#  116 GLN  HN          116 GLN  HB-         4.50    (#     42:25  Unique         2.48, 3.42 A)
 &rst
  ixpk= 42, nxpk= 25, iat=1740,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1744,1745,
 &end
#
#   13 LYS  HN           12 LYS  QD          5.50    (#     43:25  Unique         3.51, 5.30 A)
 &rst
  ixpk= 43, nxpk= 25, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 176, 177,
 &end
#
#   12 LYS  HN           12 LYS  QD          4.50    (#     44:25  Unique         3.61, 4.83 A)
 &rst
  ixpk= 44, nxpk= 25, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 176, 177,
 &end
#
#   50 VAL  HN           49 LYS  QD          4.50    (#     45:25  Unique         2.71, 4.65 A)
 &rst
  ixpk= 45, nxpk= 25, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 754, 755,
 &end
#
#    0 AMB  25-2:46      15 LYS  QD          4.50    (#     46:25  Single Ambig)
 &rst
  ixpk= 46, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 220, 242,
 igr2= 230, 231,
 &end
#
#    0 AMB  25-2:47       0 AMB  25-1:47     3.50    (#     47:25  Double Ambig)
 &rst
  ixpk= 47, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1656, 555,
 igr2=1658, 487,
 &end
#
#   47 SER  HN          110 THR  HA          5.50    (#     48:25  Unique         3.21, 3.81 A)
 &rst
  ixpk= 48, nxpk= 25, iat= 712,1658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  111 ALA  HN          110 THR  HA          3.50    (#     49:25  Unique         2.19, 2.77 A)
 &rst
  ixpk= 49, nxpk= 25, iat=1670,1658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 ASP  HN           57 SER  HA          5.50    (#     50:25  Unique         3.44, 3.50 A)
 &rst
  ixpk= 50, nxpk= 25, iat= 889, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LEU  HN           16 GLU  HB+         5.50    (#     51:25  Unique         2.36, 3.05 A)
 &rst
  ixpk= 51, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 246, 247,
 &end
#
#   16 GLU  HN           16 GLU  HB+         3.50    (#     52:25  Unique         2.11, 2.72 A)
 &rst
  ixpk= 52, nxpk= 25, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 246, 247,
 &end
#
#   17 LEU  HN           16 GLU  HB+         5.50    (#     53:25  Unique         2.36, 3.05 A)
 &rst
  ixpk= 53, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 246, 247,
 &end
#
#    0 AMB  25-2:54       0 AMB  25-1:54     3.50    (#     54:25  Double Ambig)
 &rst
  ixpk= 54, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1383,1398,
 igr2=1387,1388,1387,1388,
 &end
#
#    0 AMB  25-2:55      93 GLU  HB-         2.50    (#     55:25  Single Ambig)
 &rst
  ixpk= 55, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1383,1398,
 igr2=1387,1388,
 &end
#
#   17 LEU  HN           16 GLU  HB-         4.50    (#     56:25  Unique         2.36, 3.05 A)
 &rst
  ixpk= 56, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 246, 247,
 &end
#
#   16 GLU  HN           16 GLU  HB-         3.50    (#     57:25  Unique         2.11, 2.72 A)
 &rst
  ixpk= 57, nxpk= 25, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 246, 247,
 &end
#
#    0 AMB  25-2:58      51 VAL  HA          2.50    (#     58:25  Single Ambig)
 &rst
  ixpk= 58, nxpk= 25, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 798, 782,
 &end
#
#    0 AMB  25-2:59      94 LYS  HD-         5.50    (#     59:25  Single Ambig)
 &rst
  ixpk= 59, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1398,1420,1383,
 igr2=1408,1409,
 &end
#
#   94 LYS  HN           94 LYS  HD+         5.50    (#     60:25  Unique         3.84, 4.23 A)
 &rst
  ixpk= 60, nxpk= 25, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1408,1409,
 &end
#
#   83 LYS  HN           83 LYS  QD          5.50    (#     61:25  Unique         4.76, 5.22 A)
 &rst
  ixpk= 61, nxpk= 25, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1252,1253,
 &end
#
#   84 GLN  HN           83 LYS  QD          5.50    (#     62:25  Unique         2.39, 5.26 A)
 &rst
  ixpk= 62, nxpk= 25, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1252,1253,
 &end
#
#   21 ALA  HN           20 SER  HA          4.50    (#     63:25  Unique         3.42, 3.45 A)
 &rst
  ixpk= 63, nxpk= 25, iat= 308, 299, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 CYS  HN           34 CYS  HB+         5.50    (#     64:25  Unique         2.42, 2.93 A)
 &rst
  ixpk= 64, nxpk= 25, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 510, 511,
 &end
#
#   35 ASN  HN           34 CYS  HB-         5.50    (#     65:25  Unique         2.43, 3.09 A)
 &rst
  ixpk= 65, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 510, 511,
 &end
#
#   20 SER  HN           20 SER  HA          4.50    (#     66:25  Unique         2.81, 2.88 A)
 &rst
  ixpk= 66, nxpk= 25, iat= 297, 299, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:67       0 AMB  25-1:67     5.50    (#     67:25  Double Ambig)
 &rst
  ixpk= 67, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1478, 629,
 igr2=1441,1442, 666, 667,
 &end
#
#   44 VAL  HN           43 GLN  QB          3.50    (#     68:25  Unique         2.70, 3.28 A)
 &rst
  ixpk= 68, nxpk= 25, iat= 679,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 666, 667,
 &end
#
#   43 GLN  HN           43 GLN  QB          2.50    (#     69:25  Unique         2.31, 2.97 A)
 &rst
  ixpk= 69, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 666, 667,
 &end
#
#   64 SER  HN           63 GLN  HB+         4.50    (#     70:25  Unique         2.57, 3.26 A)
 &rst
  ixpk= 70, nxpk= 25, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 959, 960,
 &end
#
#   64 SER  HN           63 GLN  HB-         4.50    (#     71:25  Unique         2.57, 3.26 A)
 &rst
  ixpk= 71, nxpk= 25, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 959, 960,
 &end
#
#  105 GLN  HN          105 GLN  HB+         3.50    (#     72:25  Unique         2.30, 3.00 A)
 &rst
  ixpk= 72, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1601,1602,
 &end
#
#    0 AMB  25-2:73       0 AMB  25-1:73     4.50    (#     73:25  Double Ambig)
 &rst
  ixpk= 73, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1449,1450,1559,
 igr2=1441,1442,1549,1550,
 &end
#
#   39 GLN  HN           39 GLN  QB          2.50    (#     74:25  Unique         2.38, 3.04 A)
 &rst
  ixpk= 74, nxpk= 25, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 597, 598,
 &end
#
#   40 LEU  HN           39 GLN  QB          3.50    (#     75:25  Unique         2.57, 3.26 A)
 &rst
  ixpk= 75, nxpk= 25, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 597, 598,
 &end
#
#    0 AMB  25-2:76       0 AMB  25-1:76     3.50    (#     76:25  Double Ambig)
 &rst
  ixpk= 76, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  64,1702,
 igr2=  68,  69,1601,1602,
 &end
#
#    0 AMB  25-2:77       0 AMB  25-1:77     5.50    (#     77:25  Double Ambig)
 &rst
  ixpk= 77, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1730,1680,  96,
 igr2=1601,1602,  68,  69,
 &end
#
#    5 GLN  HN            5 GLN  HB-         3.50    (#     78:25  Unique         2.20, 2.54 A)
 &rst
  ixpk= 78, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  68,  69,
 &end
#
#   33 TYR  HN           31 CYS  HA          5.50    (#     79:25  Unique         3.23, 3.89 A)
 &rst
  ixpk= 79, nxpk= 25, iat= 485, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLY  HN           31 CYS  HA          3.50    (#     80:25  Unique         2.10, 2.15 A)
 &rst
  ixpk= 80, nxpk= 25, iat= 478, 470, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 TYR  HD           31 CYS  HA          5.50    (#     81:25  Unique         2.76, 4.50 A)
 &rst
  ixpk= 81, nxpk= 25, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 455, 464,
 &end
#
#   66 LEU  HN           63 GLN  HA          5.50    (#     82:25  Unique         3.09, 3.38 A)
 &rst
  ixpk= 82, nxpk= 25, iat= 993, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 GLN  HN           63 GLN  HA          3.50    (#     83:25  Unique         2.78, 2.83 A)
 &rst
  ixpk= 83, nxpk= 25, iat= 955, 957, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 SER  HN           63 GLN  HA          5.50    (#     84:25  Unique         3.53, 3.61 A)
 &rst
  ixpk= 84, nxpk= 25, iat= 972, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:85      38 LYS  HA          3.50    (#     85:25  Single Ambig)
 &rst
  ixpk= 85, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 571, 593, 629,
 &end
#
#   48 TYR  HE           38 LYS  HA          4.50    (#     86:25  Unique         2.86, 3.99 A)
 &rst
  ixpk= 86, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 733, 738,
 &end
#
#    0 AMB  25-2:87       0 AMB  25-1:87     4.50    (#     87:25  Double Ambig)
 &rst
  ixpk= 87, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1=1420, 648,1383,1398,
 igr2=1441,1442, 666, 667,1441,1442,1441,1442,
 &end
#
#    0 AMB  25-2:88       0 AMB  25-1:88     4.50    (#     88:25  Double Ambig)
 &rst
  ixpk= 88, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 674, 675,1449,1450,1454,
 igr2= 666, 667,1441,1442,1441,1442,
 &end
#
#    0 AMB  25-2:89       0 AMB  25-1:89     5.50    (#     89:25  Double Ambig)
 &rst
  ixpk= 89, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 332, 967, 968,
 igr2= 322, 323, 959, 960,
 &end
#
#   96 GLN  HN           96 GLN  HB-         3.50    (#     90:25  Unique         2.35, 3.03 A)
 &rst
  ixpk= 90, nxpk= 25, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1441,1442,
 &end
#
#    0 AMB  25-2:91      96 GLN  HB-         5.50    (#     91:25  Single Ambig)
 &rst
  ixpk= 91, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1420,1383,1398,
 igr2=1441,1442,
 &end
#
#    0 AMB  25-2:92       0 AMB  25-1:92     4.50    (#     92:25  Double Ambig)
 &rst
  ixpk= 92, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1609,1610,1454,
 igr2=1601,1602,1441,1442,
 &end
#
#  105 GLN  HN          105 GLN  HB-         3.50    (#     93:25  Unique         2.30, 3.00 A)
 &rst
  ixpk= 93, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1601,1602,
 &end
#
#  101 LEU  HN          101 LEU  HG          4.50    (#     94:25  Unique         3.30, 4.24 A)
 &rst
  ixpk= 94, nxpk= 25, iat=1526,1533, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 TYR  HE           31 CYS  HA          4.50    (#     95:25  Unique         3.63, 5.15 A)
 &rst
  ixpk= 95, nxpk= 25, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 457, 462,
 &end
#
#  101 LEU  HN          101 LEU  HA          4.50    (#     96:25  Unique         2.80, 2.83 A)
 &rst
  ixpk= 96, nxpk= 25, iat=1526,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 TRP  HZ3          15 LYS  HA          4.50    (#     97:25  Unique         3.23, 3.45 A)
 &rst
  ixpk= 97, nxpk= 25, iat=1056, 222, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 GLN  HN           61 GLN  HB+         4.50    (#     98:25  Unique         2.02, 3.09 A)
 &rst
  ixpk= 98, nxpk= 25, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 923, 924,
 &end
#
#   62 LEU  HN           61 GLN  HB-         4.50    (#     99:25  Unique         2.57, 3.42 A)
 &rst
  ixpk= 99, nxpk= 25, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 923, 924,
 &end
#
#   61 GLN  HN           61 GLN  HB-         4.50    (#    100:25  Unique         2.02, 3.09 A)
 &rst
  ixpk= 100, nxpk= 25, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 923, 924,
 &end
#
#   97 ARG  HN           97 ARG  HG-         4.50    (#    101:25  Unique         2.34, 3.05 A)
 &rst
  ixpk= 101, nxpk= 25, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1461,1462,
 &end
#
#   97 ARG  HN           97 ARG  HG+         4.50    (#    102:25  Unique         2.34, 3.05 A)
 &rst
  ixpk= 102, nxpk= 25, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1461,1462,
 &end
#
#  105 GLN  HN          101 LEU  HA          5.50    (#    104:25  Unique         3.79, 3.93 A)
 &rst
  ixpk= 104, nxpk= 25, iat=1597,1528, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 GLN  HN           61 GLN  HA          3.50    (#    105:25  Unique         2.88, 2.93 A)
 &rst
  ixpk= 105, nxpk= 25, iat= 919, 921, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:106     93 GLU  HA          3.50    (#    106:25  Single Ambig)
 &rst
  ixpk= 106, nxpk= 25, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1383,1398,
 &end
#
#   94 LYS  HN           94 LYS  HA          3.50    (#    107:25  Unique         2.85, 2.87 A)
 &rst
  ixpk= 107, nxpk= 25, iat=1398,1400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   97 ARG  HN           94 LYS  HA          5.50    (#    108:25  Unique         3.17, 3.32 A)
 &rst
  ixpk= 108, nxpk= 25, iat=1454,1400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 LYS  HN           12 LYS  HA          3.50    (#    109:25  Unique         2.82, 2.84 A)
 &rst
  ixpk= 109, nxpk= 25, iat= 166, 168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HN           12 LYS  HA          4.50    (#    110:25  Unique         3.60, 3.61 A)
 &rst
  ixpk= 110, nxpk= 25, iat= 188, 168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:111     15 LYS  HA          3.50    (#    111:25  Single Ambig)
 &rst
  ixpk= 111, nxpk= 25, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 220, 242,
 &end
#
#   18 ALA  HN           15 LYS  HA          5.50    (#    112:25  Unique         3.11, 3.43 A)
 &rst
  ixpk= 112, nxpk= 25, iat= 276, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 TRP  HH2          15 LYS  HA          3.50    (#    113:25  Unique         2.21, 2.39 A)
 &rst
  ixpk= 113, nxpk= 25, iat=1054, 222, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ARG  HN           36 ARG  HG-         4.50    (#    114:25  Unique         2.36, 4.15 A)
 &rst
  ixpk= 114, nxpk= 25, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 538, 539,
 &end
#
#   63 GLN  HE2+         74 THR  HA          5.50    (#    115:25  Unique         2.84, 4.30 A)
 &rst
  ixpk= 115, nxpk= 25, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 967, 968,
 &end
#
#   75 VAL  HN           74 THR  HA          2.50    (#    116:25  Unique         2.19, 2.43 A)
 &rst
  ixpk= 116, nxpk= 25, iat=1129,1117, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  25-2:117     74 THR  HA          4.50    (#    117:25  Single Ambig)
 &rst
  ixpk= 117, nxpk= 25, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1115, 967, 968,
 &end
#
#    0 AMB  25-2:118     68 HIS  HA          5.50    (#    118:25  Single Ambig)
 &rst
  ixpk= 118, nxpk= 25, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1063,1012,
 &end
#
#   68 HIS  HN           68 HIS  HA          3.50    (#    119:25  Unique         2.80, 2.83 A)
 &rst
  ixpk= 119, nxpk= 25, iat=1022,1024, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:120      0 AMB  25-1:120    4.50    (#    120:25  Double Ambig)
 &rst
  ixpk= 120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1039,1209,
 igr2=1024,1283,
 &end
#
#   86 GLY  HN           85 ILE  HA          5.50    (#    121:25  Unique         3.62, 3.65 A)
 &rst
  ixpk= 121, nxpk= 25, iat=1300,1283, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:122      0 AMB  25-1:122    3.50    (#    122:25  Double Ambig)
 &rst
  ixpk= 122, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 188, 555,
 igr2= 190, 533,
 &end
#
#    0 AMB  25-2:123      0 AMB  25-1:123    5.50    (#    123:25  Double Ambig)
 &rst
  ixpk= 123, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1449,1450, 605, 606, 674, 675,
 igr2=1385, 533, 664,
 &end
#
#    0 AMB  25-2:124      0 AMB  25-1:124    3.50    (#    124:25  Double Ambig)
 &rst
  ixpk= 124, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 662, 115,
 igr2= 664,  44,
 &end
#
#   53 LEU  HN           53 LEU  HG          4.50    (#    125:25  Unique         2.20, 3.09 A)
 &rst
  ixpk= 125, nxpk= 25, iat= 813, 820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  115 ALA  HN          114 PRO  QG          5.50    (#    126:25  Unique         2.75, 4.28 A)
 &rst
  ixpk= 126, nxpk= 25, iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1720,1721,
 &end
#
#   62 LEU  HN           62 LEU  MDX         3.50    (#    127:25  Unique         2.40, 4.70 A)
 &rst
  ixpk= 127, nxpk= 25, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   36 ARG  HN           36 ARG  HG+         4.50    (#    128:25  Unique         2.36, 4.15 A)
 &rst
  ixpk= 128, nxpk= 25, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 538, 539,
 &end
#
#    0 AMB  25-2:129      0 AMB  25-1:129    5.50    (#    129:25  Double Ambig)
 &rst
  ixpk= 129, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 544,1276,1277,
 igr2= 538, 539,1268,1269,
 &end
#
#  117 LEU  HN          117 LEU  HG          5.50    (#    130:25  Unique         2.52, 4.32 A)
 &rst
  ixpk= 130, nxpk= 25, iat=1757,1764, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 THR  HN           72 ARG  HG+         5.50    (#    131:25  Unique         2.29, 3.57 A)
 &rst
  ixpk= 131, nxpk= 25, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1091,1092,
 &end
#
#    0 AMB  25-2:132      0 AMB  25-1:132    5.50    (#    132:25  Double Ambig)
 &rst
  ixpk= 132, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1168,1169,1084,
 igr2=1091,1092,1091,1092,
 &end
#
#   11 LEU  HN           11 LEU  HG          5.50    (#    133:25  Unique         4.43, 4.51 A)
 &rst
  ixpk= 133, nxpk= 25, iat= 147, 154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:134     72 ARG  HG-         5.50    (#    134:25  Single Ambig)
 &rst
  ixpk= 134, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1168,1169,1084,
 igr2=1091,1092,
 &end
#
#   74 THR  HN           72 ARG  HG-         5.50    (#    135:25  Unique         2.29, 3.57 A)
 &rst
  ixpk= 135, nxpk= 25, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1091,1092,
 &end
#
#    0 AMB  25-2:136     40 LEU  MDY         5.50    (#    136:25  Single Ambig)
 &rst
  ixpk= 136, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 610, 679,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   85 ILE  HN           85 ILE  HA          4.50    (#    137:25  Unique         2.99, 2.99 A)
 &rst
  ixpk= 137, nxpk= 25, iat=1281,1283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:138      0 AMB  25-1:138    4.50    (#    138:25  Double Ambig)
 &rst
  ixpk= 138, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1609,1610, 931, 932,
 igr2=1599,  83,
 &end
#
#   39 GLN  HN           39 GLN  HA          3.50    (#    139:25  Unique         2.84, 2.86 A)
 &rst
  ixpk= 139, nxpk= 25, iat= 593, 595, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 LEU  HN           39 GLN  HA          4.50    (#    140:25  Unique         3.59, 3.61 A)
 &rst
  ixpk= 140, nxpk= 25, iat= 610, 595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 LEU  HN           16 GLU  HA          4.50    (#    141:25  Unique         3.59, 3.60 A)
 &rst
  ixpk= 141, nxpk= 25, iat= 257, 244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 GLU  HN           16 GLU  HA          3.50    (#    142:25  Unique         2.80, 2.84 A)
 &rst
  ixpk= 142, nxpk= 25, iat= 242, 244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88 CYS  HN           88 CYS  HB+         5.50    (#    143:25  Unique         2.33, 2.95 A)
 &rst
  ixpk= 143, nxpk= 25, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1318,1319,
 &end
#
#   89 ASP  HN           88 CYS  HB+         5.50    (#    144:25  Unique         2.46, 3.48 A)
 &rst
  ixpk= 144, nxpk= 25, iat=1325,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1318,1319,
 &end
#
#   88 CYS  HN           88 CYS  HB-         4.50    (#    145:25  Unique         2.33, 2.95 A)
 &rst
  ixpk= 145, nxpk= 25, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1318,1319,
 &end
#
#   85 ILE  HN           85 ILE  HG1-        5.50    (#    147:25  Unique         2.66, 3.45 A)
 &rst
  ixpk= 147, nxpk= 25, iat=1281,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1291,1292,
 &end
#
#   85 ILE  HN           84 GLN  HB+         5.50    (#    148:25  Unique         3.11, 4.15 A)
 &rst
  ixpk= 148, nxpk= 25, iat=1281,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1268,1269,
 &end
#
#   84 GLN  HN           84 GLN  HB+         3.50    (#    149:25  Unique         2.19, 2.51 A)
 &rst
  ixpk= 149, nxpk= 25, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1268,1269,
 &end
#
#    0 AMB  25-2:150      0 AMB  25-1:150    4.50    (#    150:25  Double Ambig)
 &rst
  ixpk= 150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 993,1597,
 igr2=1000,1514,
 &end
#
#   73 GLY  HN           72 ARG  HG+         5.50    (#    151:25  Unique         1.98, 4.24 A)
 &rst
  ixpk= 151, nxpk= 25, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1091,1092,
 &end
#
#   84 GLN  HN           84 GLN  HB-         4.50    (#    152:25  Unique         2.19, 2.51 A)
 &rst
  ixpk= 152, nxpk= 25, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1268,1269,
 &end
#
#   85 ILE  HN           85 ILE  HG1+        5.50    (#    153:25  Unique         2.66, 3.45 A)
 &rst
  ixpk= 153, nxpk= 25, iat=1281,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1291,1292,
 &end
#
#   80 ILE  HN           85 ILE  HG1+        5.50    (#    154:25  Unique         2.27, 2.97 A)
 &rst
  ixpk= 154, nxpk= 25, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1291,1292,
 &end
#
#    5 GLN  HN            5 GLN  HA          3.50    (#    155:25  Unique         2.81, 2.87 A)
 &rst
  ixpk= 155, nxpk= 25, iat=  64,  66, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:156      5 GLN  HA          3.50    (#    156:25  Single Ambig)
 &rst
  ixpk= 156, nxpk= 25, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  81, 127,
 &end
#
#   69 TRP  HE3          66 LEU  HA          4.50    (#    157:25  Unique         2.36, 2.85 A)
 &rst
  ixpk= 157, nxpk= 25, iat=1058, 995, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 LYS  HN            4 LYS  HA          3.50    (#    158:25  Unique         2.74, 2.83 A)
 &rst
  ixpk= 158, nxpk= 25, iat=  42,  44, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 LEU  HN            0 AMB  25-1:159    3.50    (#    159:25  Single Ambig)
 &rst
  ixpk= 159, nxpk= 25, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  44,  83,
 &end
#
#    0 AMB  25-2:160     96 GLN  HA          4.50    (#    160:25  Single Ambig)
 &rst
  ixpk= 160, nxpk= 25, iat=  -1,1439, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1454,1449,1450,
 &end
#
#   96 GLN  HN           96 GLN  HA          3.50    (#    161:25  Unique         2.81, 2.84 A)
 &rst
  ixpk= 161, nxpk= 25, iat=1437,1439, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:162      0 AMB  25-1:162    4.50    (#    162:25  Double Ambig)
 &rst
  ixpk= 162, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  96, 517,
 igr2= 103, 538, 539,
 &end
#
#    8 ASP  HN            7 LEU  HG          5.50    (#    163:25  Unique         3.82, 4.05 A)
 &rst
  ixpk= 163, nxpk= 25, iat= 115, 103, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 LEU  HN           41 LEU  HG          4.50    (#    164:25  Unique         2.35, 2.83 A)
 &rst
  ixpk= 164, nxpk= 25, iat= 629, 636, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:165      0 AMB  25-1:165    5.50    (#    165:25  Double Ambig)
 &rst
  ixpk= 165, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1420,1012,1398,
 igr2=1514,1000,
 &end
#
#   17 LEU  HN           17 LEU  HG          4.50    (#    166:25  Unique         2.40, 2.47 A)
 &rst
  ixpk= 166, nxpk= 25, iat= 257, 264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 GLN  HN          104 LEU  HG          5.50    (#    167:25  Unique         4.45, 4.62 A)
 &rst
  ixpk= 167, nxpk= 25, iat=1597,1585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 LEU  HN          104 LEU  HG          4.50    (#    168:25  Unique         2.46, 2.53 A)
 &rst
  ixpk= 168, nxpk= 25, iat=1578,1585, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 GLN  HN          105 GLN  HA          3.50    (#    169:25  Unique         2.83, 2.86 A)
 &rst
  ixpk= 169, nxpk= 25, iat=1597,1599, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:170      0 AMB  25-1:170    5.50    (#    170:25  Double Ambig)
 &rst
  ixpk= 170, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1609,1610, 931, 932,
 igr2=1599,  83,
 &end
#
#    0 AMB  25-2:171      6 GLU  HA          3.50    (#    171:25  Single Ambig)
 &rst
  ixpk= 171, nxpk= 25, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  81, 127, 137,
 &end
#
#   98 ASN  HN           96 GLN  HA          5.50    (#    172:25  Unique         3.40, 3.62 A)
 &rst
  ixpk= 172, nxpk= 25, iat=1478,1439, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103 LEU  HN          103 LEU  HG          4.50    (#    173:25  Unique         4.35, 4.42 A)
 &rst
  ixpk= 173, nxpk= 25, iat=1559,1566, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 SER  HN           66 LEU  HG          7.00    (#    175:25  Unique         6.07, 6.49 A)
 &rst
  ixpk= 175, nxpk= 25, iat= 400,1000, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   18 ALA  HN           17 LEU  HG          5.50    (#    176:25  Unique         4.52, 4.57 A)
 &rst
  ixpk= 176, nxpk= 25, iat= 276, 264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 PHE  HZ           17 LEU  HG          5.50    (#    177:25  Unique         4.94, 5.13 A)
 &rst
  ixpk= 177, nxpk= 25, iat= 392, 264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 PHE  HE           17 LEU  HG          4.50    (#    178:25  Unique         4.38, 6.04 A)
 &rst
  ixpk= 178, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 390, 394,
 &end
#
#   26 PHE  HD           17 LEU  HG          7.00    (#    179:25  Unique         6.51, 7.89 A)
 &rst
  ixpk= 179, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 388, 396,
 &end
#
#   77 ASN  HN           75 VAL  HA          4.50    (#    180:25  Unique         3.14, 3.32 A)
 &rst
  ixpk= 180, nxpk= 25, iat=1159,1131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 VAL  HN           75 VAL  HA          4.50    (#    181:25  Unique         2.89, 2.95 A)
 &rst
  ixpk= 181, nxpk= 25, iat=1129,1131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:182      0 AMB  25-1:182    3.50    (#    182:25  Double Ambig)
 &rst
  ixpk= 182, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 936, 662,
 igr2= 938, 612,
 &end
#
#    0 AMB  25-2:183      0 AMB  25-1:183    4.50    (#    183:25  Double Ambig)
 &rst
  ixpk= 183, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 983, 648,
 igr2= 938, 612,
 &end
#
#   40 LEU  HN           40 LEU  HA          3.50    (#    184:25  Unique         2.79, 2.83 A)
 &rst
  ixpk= 184, nxpk= 25, iat= 610, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  104 LEU  HN          104 LEU  MDY         4.50    (#    185:25  Unique         3.65, 4.50 A)
 &rst
  ixpk= 185, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   58 ASP  HN           62 LEU  HG          5.50    (#    186:25  Unique         4.99, 5.49 A)
 &rst
  ixpk= 186, nxpk= 25, iat= 889, 943, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:187     62 LEU  HG          4.50    (#    187:25  Single Ambig)
 &rst
  ixpk= 187, nxpk= 25, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 936, 955,
 &end
#
#   26 PHE  HE           62 LEU  HG          5.50    (#    188:25  Unique         3.99, 6.57 A)
 &rst
  ixpk= 188, nxpk= 25, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 390, 394,
 &end
#
#   14 ALA  HN           62 LEU  HG          5.50    (#    189:25  Unique         5.39, 5.49 A)
 &rst
  ixpk= 189, nxpk= 25, iat= 210, 943, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 LEU  HN          100 LEU  MDY         5.50    (#    190:25  Unique         3.71, 5.91 A)
 &rst
  ixpk= 190, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#   42 THR  HN           41 LEU  MDY         5.50    (#    191:25  Unique         4.83, 5.71 A)
 &rst
  ixpk= 191, nxpk= 25, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   41 LEU  HN           41 LEU  MDY         4.50    (#    192:25  Unique         2.50, 4.28 A)
 &rst
  ixpk= 192, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:193     41 LEU  MDY         4.50    (#    193:25  Single Ambig)
 &rst
  ixpk= 193, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 731, 740, 733, 738,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   54 ASP  HN           53 LEU  HA          5.50    (#    194:25  Unique         3.41, 3.54 A)
 &rst
  ixpk= 194, nxpk= 25, iat= 832, 815, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 LEU  HN           53 LEU  HA          5.50    (#    195:25  Unique         2.80, 3.09 A)
 &rst
  ixpk= 195, nxpk= 25, iat= 859, 815, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 ALA  HN           11 LEU  HA          4.50    (#    196:25  Unique         3.15, 3.27 A)
 &rst
  ixpk= 196, nxpk= 25, iat= 210, 149, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HN           11 LEU  HA          3.50    (#    197:25  Unique         2.84, 2.85 A)
 &rst
  ixpk= 197, nxpk= 25, iat= 147, 149, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 LYS  HN           38 LYS  HG-         5.50    (#    198:25  Unique         2.20, 2.92 A)
 &rst
  ixpk= 198, nxpk= 25, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 578, 579,
 &end
#
#   38 LYS  HN           38 LYS  HG+         5.50    (#    199:25  Unique         2.20, 2.92 A)
 &rst
  ixpk= 199, nxpk= 25, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 578, 579,
 &end
#
#   53 LEU  HN           53 LEU  MDY         4.50    (#    200:25  Unique         2.19, 4.07 A)
 &rst
  ixpk= 200, nxpk= 25, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:201     53 LEU  MDY         4.50    (#    201:25  Single Ambig)
 &rst
  ixpk= 201, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 955, 798,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   26 PHE  HD           53 LEU  MDY         4.50    (#    202:25  Unique         2.16, 5.45 A)
 &rst
  ixpk= 202, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 388, 396,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   27 SER  HN           53 LEU  MDY         5.50    (#    203:25  Unique         2.38, 4.69 A)
 &rst
  ixpk= 203, nxpk= 25, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   58 ASP  HN           56 LEU  MDY         5.50    (#    205:25  Unique         1.87, 4.30 A)
 &rst
  ixpk= 205, nxpk= 25, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#   59 GLY  HN           56 LEU  MDY         5.50    (#    206:25  Unique         3.14, 5.30 A)
 &rst
  ixpk= 206, nxpk= 25, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#   55 GLU  HN           56 LEU  MDY         5.50    (#    207:25  Unique         4.86, 7.00 A)
 &rst
  ixpk= 207, nxpk= 25, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#   56 LEU  HN           56 LEU  MDY         4.50    (#    208:25  Unique         3.44, 5.16 A)
 &rst
  ixpk= 208, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#    0 AMB  25-2:209     56 LEU  MDY         5.50    (#    209:25  Single Ambig)
 &rst
  ixpk= 209, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 936, 798, 955,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#  101 LEU  HN          100 LEU  MDY         5.50    (#    210:25  Unique         4.28, 5.54 A)
 &rst
  ixpk= 210, nxpk= 25, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#    0 AMB  25-2:211    100 LEU  MDY         4.50    (#    211:25  Single Ambig)
 &rst
  ixpk= 211, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1420,1398,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#  100 LEU  HN          100 LEU  MDY         5.50    (#    212:25  Unique         4.57, 5.20 A)
 &rst
  ixpk= 212, nxpk= 25, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#   53 LEU  HN           53 LEU  HA          4.50    (#    213:25  Unique         2.73, 2.77 A)
 &rst
  ixpk= 213, nxpk= 25, iat= 813, 815, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 LEU  HN           17 LEU  HA          4.50    (#    214:25  Unique         2.82, 2.83 A)
 &rst
  ixpk= 214, nxpk= 25, iat= 257, 259, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ALA  HN           17 LEU  HA          5.50    (#    215:25  Unique         3.58, 3.59 A)
 &rst
  ixpk= 215, nxpk= 25, iat= 276, 259, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:216      0 AMB  25-1:216    5.50    (#    216:25  Double Ambig)
 &rst
  ixpk= 216, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 967, 968,1047,
 igr2= 822, 823, 824, 826, 827, 828, 156, 157, 158, 160,
       161, 162,
 &end
#
#  106 ASP  HN          103 LEU  HA          4.50    (#    217:25  Unique         3.31, 3.43 A)
 &rst
  ixpk= 217, nxpk= 25, iat=1614,1561, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103 LEU  HN          103 LEU  HA          3.50    (#    218:25  Unique         2.84, 2.86 A)
 &rst
  ixpk= 218, nxpk= 25, iat=1559,1561, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  104 LEU  HN          104 LEU  HA          4.50    (#    219:25  Unique         2.86, 2.87 A)
 &rst
  ixpk= 219, nxpk= 25, iat=1578,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107 ALA  HN          104 LEU  HA          5.50    (#    220:25  Unique         3.22, 3.37 A)
 &rst
  ixpk= 220, nxpk= 25, iat=1626,1580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  105 GLN  HN          104 LEU  HA          5.50    (#    221:25  Unique         3.57, 3.60 A)
 &rst
  ixpk= 221, nxpk= 25, iat=1597,1580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:222     41 LEU  HA          3.50    (#    222:25  Single Ambig)
 &rst
  ixpk= 222, nxpk= 25, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 629, 702,
 &end
#
#   44 VAL  HN           41 LEU  HA          5.50    (#    223:25  Unique         3.49, 3.58 A)
 &rst
  ixpk= 223, nxpk= 25, iat= 679, 631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   94 LYS  HN           94 LYS  QG          3.50    (#    224:25  Unique         2.25, 2.96 A)
 &rst
  ixpk= 224, nxpk= 25, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1405,1406,
 &end
#
#   50 VAL  HN           49 LYS  HG+         5.50    (#    225:25  Unique         2.15, 2.72 A)
 &rst
  ixpk= 225, nxpk= 25, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 751, 752,
 &end
#
#  103 LEU  HN            0 AMB  25-1:226    4.50    (#    226:25  Single Ambig)
 &rst
  ixpk= 226, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1568,1569,1570,1572,1573,1574,1766,1767,1768,1770,
      1771,1772,
 &end
#
#    0 AMB  25-2:227      0 AMB  25-1:227    4.50    (#    227:25  Double Ambig)
 &rst
  ixpk= 227, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=1578,1032, 901, 972, 411,
 igr2=1568,1569,1570,1572,1573,1574, 156, 157, 158, 160,
       161, 162, 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:228      0 AMB  25-1:228    5.50    (#    228:25  Double Ambig)
 &rst
  ixpk= 228, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1058, 859,
 igr2= 156, 157, 158, 160, 161, 162, 822, 823, 824, 826,
       827, 828,
 &end
#
#    0 AMB  25-2:229      0 AMB  25-1:229    4.50    (#    229:25  Double Ambig)
 &rst
  ixpk= 229, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1039,1597,
 igr2= 156, 157, 158, 160, 161, 162,1766,1767,1768,1770,
      1771,1772,
 &end
#
#    0 AMB  25-2:230      0 AMB  25-1:230    4.50    (#    230:25  Double Ambig)
 &rst
  ixpk= 230, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 147, 983,
 igr2= 156, 157, 158, 160, 161, 162, 822, 823, 824, 826,
       827, 828,
 &end
#
#  105 GLN  HE2+        117 LEU  MDX         4.50    (#    231:25  Unique         1.93, 6.83 A)
 &rst
  ixpk= 231, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1609,1610,
 igr2=1766,1767,1768,1770,1771,1772,
 &end
#
#    0 AMB  25-2:232      0 AMB  25-1:232    4.50    (#    232:25  Double Ambig)
 &rst
  ixpk= 232, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1035,1711,1712,
 igr2= 156, 157, 158, 160, 161, 162,1766,1767,1768,1770,
      1771,1772,
 &end
#
#    8 ASP  HN            8 ASP  HA          3.50    (#    233:25  Unique         2.84, 2.85 A)
 &rst
  ixpk= 233, nxpk= 25, iat= 115, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 LEU  HN            8 ASP  HA          4.50    (#    234:25  Unique         3.11, 3.26 A)
 &rst
  ixpk= 234, nxpk= 25, iat= 147, 117, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:235      8 ASP  HA          3.50    (#    235:25  Single Ambig)
 &rst
  ixpk= 235, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 127, 137,
 &end
#
#   12 LYS  HN            8 ASP  HA          5.50    (#    236:25  Unique         3.88, 4.02 A)
 &rst
  ixpk= 236, nxpk= 25, iat= 166, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ASP  HN            7 LEU  HA          4.50    (#    237:25  Unique         3.59, 3.61 A)
 &rst
  ixpk= 237, nxpk= 25, iat= 115,  98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 LEU  HN            7 LEU  HA          3.50    (#    238:25  Unique         2.82, 2.84 A)
 &rst
  ixpk= 238, nxpk= 25, iat=  96,  98, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:239      7 LEU  HA          3.50    (#    239:25  Single Ambig)
 &rst
  ixpk= 239, nxpk= 25, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 137, 127,
 &end
#
#   42 THR  HN           41 LEU  HA          5.50    (#    240:25  Unique         3.57, 3.59 A)
 &rst
  ixpk= 240, nxpk= 25, iat= 648, 631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 VAL  HN           49 LYS  HG-         4.50    (#    241:25  Unique         2.15, 2.72 A)
 &rst
  ixpk= 241, nxpk= 25, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 751, 752,
 &end
#
#   96 GLN  HN           40 LEU  HG          7.00    (#    242:25  Unique         6.43, 6.89 A)
 &rst
  ixpk= 242, nxpk= 25, iat=1437, 617, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-2:243     40 LEU  HG          5.50    (#    243:25  Single Ambig)
 &rst
  ixpk= 243, nxpk= 25, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1420, 648,1367,1383,
 &end
#
#   41 LEU  HN           40 LEU  HG          5.50    (#    244:25  Unique         3.93, 4.01 A)
 &rst
  ixpk= 244, nxpk= 25, iat= 629, 617, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:245     40 LEU  HG          4.50    (#    245:25  Single Ambig)
 &rst
  ixpk= 245, nxpk= 25, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 679, 610,
 &end
#
#   95 HIS  HD2          40 LEU  HG          4.50    (#    246:25  Unique         3.14, 4.47 A)
 &rst
  ixpk= 246, nxpk= 25, iat=1433, 617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92 VAL  HN           89 ASP  HA          3.50    (#    247:25  Unique         3.53, 3.55 A)
 &rst
  ixpk= 247, nxpk= 25, iat=1367,1327, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:248      0 AMB  25-1:248    4.50    (#    248:25  Double Ambig)
 &rst
  ixpk= 248, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1507,1337,
 igr2=1509,1327,
 &end
#
#   85 ILE  HN           84 GLN  HA          3.50    (#    249:25  Unique         2.22, 2.25 A)
 &rst
  ixpk= 249, nxpk= 25, iat=1281,1266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:250     84 GLN  HA          4.50    (#    250:25  Single Ambig)
 &rst
  ixpk= 250, nxpk= 25, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1264,1209,
 &end
#
#   86 GLY  HN           84 GLN  HA          4.50    (#    251:25  Unique         4.05, 4.21 A)
 &rst
  ixpk= 251, nxpk= 25, iat=1300,1266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 PHE  HD           84 GLN  HA          5.50    (#    252:25  Unique         3.16, 3.61 A)
 &rst
  ixpk= 252, nxpk= 25, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1197,1205,
 &end
#
#    0 AMB  25-2:253      0 AMB  25-1:253    5.50    (#    253:25  Double Ambig)
 &rst
  ixpk= 253, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 166,1609,1610,
 igr2= 173, 174,1687,1688,
 &end
#
#   13 LYS  HN            0 AMB  25-1:254    5.50    (#    254:25  Single Ambig)
 &rst
  ixpk= 254, nxpk= 25, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 173, 174, 195, 196,
 &end
#
#   12 LYS  HN           12 LYS  HG-         4.50    (#    255:25  Unique         2.38, 4.14 A)
 &rst
  ixpk= 255, nxpk= 25, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 173, 174,
 &end
#
#   92 VAL  HN           37 VAL  MGY         5.50    (#    256:25  Unique         4.63, 6.54 A)
 &rst
  ixpk= 256, nxpk= 25, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  25-2:257     37 VAL  MGY         4.50    (#    257:25  Single Ambig)
 &rst
  ixpk= 257, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 571, 629,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   37 VAL  HN           37 VAL  MGY         3.50    (#    258:25  Unique         2.24, 3.86 A)
 &rst
  ixpk= 258, nxpk= 25, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#  117 LEU  HN          106 ASP  HA          5.50    (#    259:25  Unique         2.23, 4.62 A)
 &rst
  ixpk= 259, nxpk= 25, iat=1757,1616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 ASP  HN          106 ASP  HA          3.50    (#    260:25  Unique         2.82, 2.85 A)
 &rst
  ixpk= 260, nxpk= 25, iat=1614,1616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88 CYS  HN           76 PRO  QG          5.50    (#    262:25  Unique         2.41, 3.37 A)
 &rst
  ixpk= 262, nxpk= 25, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1149,1150,
 &end
#
#   83 LYS  HN           83 LYS  QG          4.50    (#    263:25  Unique         2.51, 4.14 A)
 &rst
  ixpk= 263, nxpk= 25, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1249,1250,
 &end
#
#    0 AMB  25-2:264     83 LYS  QG          4.50    (#    264:25  Single Ambig)
 &rst
  ixpk= 264, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1264,1209,
 igr2=1249,1250,
 &end
#
#    0 AMB  25-2:265      0 AMB  25-1:265    5.50    (#    265:25  Double Ambig)
 &rst
  ixpk= 265, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  64,1702,
 igr2=  49,  50,1687,1688,
 &end
#
#    7 LEU  HN            4 LYS  HG+         5.50    (#    266:25  Unique         5.25, 5.86 A)
 &rst
  ixpk= 266, nxpk= 25, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  49,  50,
 &end
#
#    7 LEU  HN            4 LYS  HG-         5.50    (#    267:25  Unique         5.25, 5.86 A)
 &rst
  ixpk= 267, nxpk= 25, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  49,  50,
 &end
#
#   88 CYS  HN           37 VAL  MGY         5.50    (#    268:25  Unique         3.80, 5.54 A)
 &rst
  ixpk= 268, nxpk= 25, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   35 ASN  HN           35 ASN  HA          4.50    (#    269:25  Unique         2.82, 2.84 A)
 &rst
  ixpk= 269, nxpk= 25, iat= 517, 519, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 VAL  HN           35 ASN  HA          5.50    (#    270:25  Unique         4.51, 4.63 A)
 &rst
  ixpk= 270, nxpk= 25, iat= 555, 519, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 LEU  HN          104 LEU  MDX         4.50    (#    271:25  Unique         3.65, 4.50 A)
 &rst
  ixpk= 271, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#    0 AMB  25-2:272     40 LEU  MDX         5.50    (#    272:25  Single Ambig)
 &rst
  ixpk= 272, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 674, 675,1449,1450,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   66 LEU  HN           66 LEU  MDY         4.50    (#    273:25  Unique         2.63, 4.21 A)
 &rst
  ixpk= 273, nxpk= 25, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   63 GLN  HN           66 LEU  MDY         5.50    (#    274:25  Unique         4.61, 7.16 A)
 &rst
  ixpk= 274, nxpk= 25, iat= 955,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:275     66 LEU  MDY         4.50    (#    275:25  Single Ambig)
 &rst
  ixpk= 275, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1012,1063,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   77 ASN  HD2+         66 LEU  MDY         5.50    (#    276:25  Unique         2.18, 5.24 A)
 &rst
  ixpk= 276, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1168,1169,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   26 PHE  HD           66 LEU  MDY         4.50    (#    277:25  Unique         2.81, 4.87 A)
 &rst
  ixpk= 277, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 388, 396,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   26 PHE  HZ           66 LEU  MDY         5.50    (#    278:25  Unique         3.67, 5.21 A)
 &rst
  ixpk= 278, nxpk= 25, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   26 PHE  HE           66 LEU  MDY         4.50    (#    279:25  Unique         3.06, 5.08 A)
 &rst
  ixpk= 279, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 394,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   69 TRP  HE3          66 LEU  MDY         5.50    (#    280:25  Unique         2.32, 3.86 A)
 &rst
  ixpk= 280, nxpk= 25, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   55 GLU  HN           55 GLU  HA          3.50    (#    281:25  Unique         2.92, 2.97 A)
 &rst
  ixpk= 281, nxpk= 25, iat= 844, 846, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 LEU  HN           55 GLU  HA          4.50    (#    282:25  Unique         3.23, 3.42 A)
 &rst
  ixpk= 282, nxpk= 25, iat= 859, 846, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:283     35 ASN  HA          4.50    (#    283:25  Single Ambig)
 &rst
  ixpk= 283, nxpk= 25, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 571, 593,
 &end
#
#   53 LEU  HN           53 LEU  MDX         4.50    (#    284:25  Unique         2.19, 4.07 A)
 &rst
  ixpk= 284, nxpk= 25, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   54 ASP  HN           53 LEU  MDX         5.50    (#    285:25  Unique         4.78, 5.88 A)
 &rst
  ixpk= 285, nxpk= 25, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   27 SER  HN           53 LEU  MDX         5.50    (#    286:25  Unique         2.38, 4.69 A)
 &rst
  ixpk= 286, nxpk= 25, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:287     53 LEU  MDX         3.50    (#    287:25  Single Ambig)
 &rst
  ixpk= 287, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 955, 798,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   26 PHE  HD           53 LEU  MDX         3.50    (#    288:25  Unique         2.16, 5.45 A)
 &rst
  ixpk= 288, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 388, 396,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   26 PHE  HE           53 LEU  MDX         4.50    (#    289:25  Unique         3.54, 6.91 A)
 &rst
  ixpk= 289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 394,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   56 LEU  HN           53 LEU  MDX         5.50    (#    290:25  Unique         4.51, 6.66 A)
 &rst
  ixpk= 290, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#  104 LEU  HN          101 LEU  MDY         5.50    (#    291:25  Unique         4.23, 6.38 A)
 &rst
  ixpk= 291, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  101 LEU  HN          101 LEU  MDY         5.50    (#    292:25  Unique         2.62, 4.97 A)
 &rst
  ixpk= 292, nxpk= 25, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  105 GLN  HN          101 LEU  MDY         5.50    (#    293:25  Unique         3.37, 5.82 A)
 &rst
  ixpk= 293, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:295    101 LEU  MDY         4.50    (#    295:25  Single Ambig)
 &rst
  ixpk= 295, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1487,1488,1430,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  105 GLN  HE2-        101 LEU  MDY         5.50    (#    296:25  Unique         1.86, 5.65 A)
 &rst
  ixpk= 296, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1609,1610,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#   14 ALA  HN           11 LEU  MDY         5.50    (#    297:25  Unique         4.76, 6.75 A)
 &rst
  ixpk= 297, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#    8 ASP  HN           11 LEU  MDY         5.50    (#    298:25  Unique         5.98, 7.39 A)
 &rst
  ixpk= 298, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   15 LYS  HN           11 LEU  MDY         5.50    (#    299:25  Unique         3.56, 5.85 A)
 &rst
  ixpk= 299, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   12 LYS  HN           11 LEU  MDY         5.50    (#    300:25  Unique         2.90, 4.77 A)
 &rst
  ixpk= 300, nxpk= 25, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   69 TRP  HN           11 LEU  MDY         4.50    (#    301:25  Unique         4.06, 6.55 A)
 &rst
  ixpk= 301, nxpk= 25, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   11 LEU  HN            0 AMB  25-1:302    3.50    (#    302:25  Single Ambig)
 &rst
  ixpk= 302, nxpk= 25, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 105, 106, 107, 109, 110, 111, 156, 157, 158, 160,
       161, 162,
 &end
#
#   69 TRP  HD1          11 LEU  MDY         5.50    (#    303:25  Unique         2.93, 5.27 A)
 &rst
  ixpk= 303, nxpk= 25, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   69 TRP  HE3          11 LEU  MDY         5.50    (#    304:25  Unique         3.46, 5.97 A)
 &rst
  ixpk= 304, nxpk= 25, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   68 HIS  HD2          11 LEU  MDY         4.50    (#    305:25  Unique         2.15, 4.58 A)
 &rst
  ixpk= 305, nxpk= 25, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   69 TRP  HZ3          11 LEU  MDY         5.50    (#    306:25  Unique         4.77, 7.20 A)
 &rst
  ixpk= 306, nxpk= 25, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   68 HIS  HN            7 LEU  MDX         5.50    (#    307:25  Unique         3.87, 5.61 A)
 &rst
  ixpk= 307, nxpk= 25, iat=1022,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#  105 GLN  HN          104 LEU  MDX         5.50    (#    308:25  Unique         4.85, 5.74 A)
 &rst
  ixpk= 308, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#  107 ALA  HN          104 LEU  MDX         5.50    (#    309:25  Unique         5.15, 7.07 A)
 &rst
  ixpk= 309, nxpk= 25, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#  103 LEU  HN          104 LEU  MDX         5.50    (#    310:25  Unique         5.52, 6.82 A)
 &rst
  ixpk= 310, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#    0 AMB  25-2:311     40 LEU  MDX         4.50    (#    311:25  Single Ambig)
 &rst
  ixpk= 311, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1367,1420,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   41 LEU  HN           40 LEU  MDX         5.50    (#    312:25  Unique         3.19, 5.37 A)
 &rst
  ixpk= 312, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:313     40 LEU  MDX         4.50    (#    313:25  Single Ambig)
 &rst
  ixpk= 313, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 610, 679,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   95 HIS  HE1          40 LEU  MDX         5.50    (#    314:25  Unique         4.85, 6.56 A)
 &rst
  ixpk= 314, nxpk= 25, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   95 HIS  HD2          40 LEU  MDX         4.50    (#    315:25  Unique         2.38, 4.23 A)
 &rst
  ixpk= 315, nxpk= 25, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:316     40 LEU  MDX         5.50    (#    316:25  Single Ambig)
 &rst
  ixpk= 316, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 674, 675,1449,1450,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   97 ARG  HN           97 ARG  HA          3.50    (#    317:25  Unique         2.88, 2.91 A)
 &rst
  ixpk= 317, nxpk= 25, iat=1454,1456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  113 ASN  HN          112 LYS  HA          3.50    (#    318:25  Unique         2.16, 3.34 A)
 &rst
  ixpk= 318, nxpk= 25, iat=1702,1682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 LYS  HN          112 LYS  HA          3.50    (#    319:25  Unique         2.79, 2.89 A)
 &rst
  ixpk= 319, nxpk= 25, iat=1680,1682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 ALA  HN           14 ALA  HA          3.50    (#    320:25  Unique         2.80, 2.83 A)
 &rst
  ixpk= 320, nxpk= 25, iat= 210, 212, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 ALA  HN           14 ALA  HA          5.50    (#    321:25  Unique         3.75, 3.81 A)
 &rst
  ixpk= 321, nxpk= 25, iat= 276, 212, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:322     14 ALA  HA          5.50    (#    322:25  Single Ambig)
 &rst
  ixpk= 322, nxpk= 25, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 220, 242,
 &end
#
#   26 PHE  HZ           14 ALA  HA          5.50    (#    323:25  Unique         3.00, 3.20 A)
 &rst
  ixpk= 323, nxpk= 25, iat= 392, 212, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:324     53 LEU  MDX         5.50    (#    324:25  Single Ambig)
 &rst
  ixpk= 324, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 901, 972, 411,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#  101 LEU  HN          101 LEU  MDX         5.50    (#    327:25  Unique         2.62, 4.97 A)
 &rst
  ixpk= 327, nxpk= 25, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  100 LEU  HN          101 LEU  MDX         5.50    (#    328:25  Unique         4.41, 7.41 A)
 &rst
  ixpk= 328, nxpk= 25, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:329    101 LEU  MDX         5.50    (#    329:25  Single Ambig)
 &rst
  ixpk= 329, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1487,1488,1430,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  105 GLN  HE2+        101 LEU  MDX         4.50    (#    330:25  Unique         1.86, 5.65 A)
 &rst
  ixpk= 330, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1609,1610,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  105 GLN  HE2-        101 LEU  MDX         4.50    (#    331:25  Unique         1.86, 5.65 A)
 &rst
  ixpk= 331, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1609,1610,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#   14 ALA  HN           62 LEU  MDY         3.50    (#    332:25  Unique         3.02, 4.27 A)
 &rst
  ixpk= 332, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:333     62 LEU  MDY         5.50    (#    333:25  Single Ambig)
 &rst
  ixpk= 333, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 983, 147,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:334     62 LEU  MDY         5.50    (#    334:25  Single Ambig)
 &rst
  ixpk= 334, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 220, 242,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   12 LYS  HN           62 LEU  MDY         5.50    (#    335:25  Unique         6.18, 7.50 A)
 &rst
  ixpk= 335, nxpk= 25, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   66 LEU  HN           62 LEU  MDY         5.50    (#    337:25  Unique         3.44, 5.73 A)
 &rst
  ixpk= 337, nxpk= 25, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   62 LEU  HN           62 LEU  MDY         4.50    (#    338:25  Unique         2.40, 4.70 A)
 &rst
  ixpk= 338, nxpk= 25, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:339     62 LEU  MDY         5.50    (#    339:25  Single Ambig)
 &rst
  ixpk= 339, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 901, 137, 972,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   13 LYS  HN           62 LEU  MDY         4.50    (#    340:25  Unique         4.56, 5.93 A)
 &rst
  ixpk= 340, nxpk= 25, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   26 PHE  HD           62 LEU  MDY         5.50    (#    341:25  Unique         2.97, 7.16 A)
 &rst
  ixpk= 341, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 388, 396,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   26 PHE  HZ           62 LEU  MDY         5.50    (#    342:25  Unique         4.18, 6.50 A)
 &rst
  ixpk= 342, nxpk= 25, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   26 PHE  HE           62 LEU  MDY         4.50    (#    343:25  Unique         2.48, 6.56 A)
 &rst
  ixpk= 343, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 394,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   69 TRP  HZ3          62 LEU  MDY         5.50    (#    344:25  Unique         5.40, 7.18 A)
 &rst
  ixpk= 344, nxpk= 25, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:345     11 LEU  MDY         5.50    (#    345:25  Single Ambig)
 &rst
  ixpk= 345, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 188,1052,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   14 ALA  HN           11 LEU  MDY         5.50    (#    346:25  Unique         4.76, 6.75 A)
 &rst
  ixpk= 346, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#    8 ASP  HN            7 LEU  MDX         5.50    (#    347:25  Unique         3.28, 5.31 A)
 &rst
  ixpk= 347, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#   99 GLU  HN           99 GLU  HA          4.50    (#    348:25  Unique         2.96, 2.98 A)
 &rst
  ixpk= 348, nxpk= 25, iat=1492,1494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  116 GLN  HN          116 GLN  HA          4.50    (#    349:25  Unique         2.18, 2.65 A)
 &rst
  ixpk= 349, nxpk= 25, iat=1740,1742, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 GLN  HN          101 LEU  MDX         5.50    (#    350:25  Unique         3.37, 5.82 A)
 &rst
  ixpk= 350, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#   69 TRP  HE3          62 LEU  MDY         5.50    (#    351:25  Unique         5.41, 7.27 A)
 &rst
  ixpk= 351, nxpk= 25, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#  117 LEU  HN          116 GLN  HA          3.50    (#    352:25  Unique         2.15, 2.65 A)
 &rst
  ixpk= 352, nxpk= 25, iat=1757,1742, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 LEU  HN            7 LEU  MDY         4.50    (#    353:25  Unique         4.53, 5.14 A)
 &rst
  ixpk= 353, nxpk= 25, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    0 AMB  25-2:354      7 LEU  MDY         5.50    (#    354:25  Single Ambig)
 &rst
  ixpk= 354, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1032, 137, 972,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    8 ASP  HN            7 LEU  MDY         5.50    (#    355:25  Unique         3.28, 5.31 A)
 &rst
  ixpk= 355, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    0 AMB  25-2:356     65 ALA  HA          5.50    (#    356:25  Single Ambig)
 &rst
  ixpk= 356, nxpk= 25, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 993,1039,
 &end
#
#    0 AMB  25-2:357      0 AMB  25-1:357    3.50    (#    357:25  Double Ambig)
 &rst
  ixpk= 357, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 983, 147,1012,
 igr2= 985, 139,
 &end
#
#   68 HIS  HN           65 ALA  HA          4.50    (#    358:25  Unique         3.36, 3.49 A)
 &rst
  ixpk= 358, nxpk= 25, iat=1022, 985, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ALA  HN           18 ALA  HA          4.50    (#    359:25  Unique         2.78, 2.81 A)
 &rst
  ixpk= 359, nxpk= 25, iat= 276, 278, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 PHE  HZ           18 ALA  HA          4.50    (#    360:25  Unique         3.08, 3.27 A)
 &rst
  ixpk= 360, nxpk= 25, iat= 392, 278, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 PHE  HE           18 ALA  HA          4.50    (#    361:25  Unique         2.96, 4.32 A)
 &rst
  ixpk= 361, nxpk= 25, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 390, 394,
 &end
#
#   68 HIS  HD2           7 LEU  MDY         5.50    (#    363:25  Unique         3.40, 5.07 A)
 &rst
  ixpk= 363, nxpk= 25, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#   11 LEU  HN            9 ALA  HA          5.50    (#    364:25  Unique         4.38, 4.45 A)
 &rst
  ixpk= 364, nxpk= 25, iat= 147, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:365      9 ALA  HA          3.50    (#    365:25  Single Ambig)
 &rst
  ixpk= 365, nxpk= 25, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 127, 137,
 &end
#
#   12 LYS  HN            9 ALA  HA          4.50    (#    366:25  Unique         3.21, 3.31 A)
 &rst
  ixpk= 366, nxpk= 25, iat= 166, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:367     67 ALA  HA          3.50    (#    367:25  Single Ambig)
 &rst
  ixpk= 367, nxpk= 25, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1012,1063,
 &end
#
#   68 HIS  HN           67 ALA  HA          5.50    (#    368:25  Unique         3.56, 3.57 A)
 &rst
  ixpk= 368, nxpk= 25, iat=1022,1014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:369     67 ALA  HA          4.50    (#    369:25  Single Ambig)
 &rst
  ixpk= 369, nxpk= 25, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1084,1077,
 &end
#
#    0 AMB  25-2:370     50 VAL  MGX         4.50    (#    370:25  Single Ambig)
 &rst
  ixpk= 370, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 364, 380,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   50 VAL  HN           50 VAL  MGX         3.50    (#    371:25  Unique         2.49, 4.13 A)
 &rst
  ixpk= 371, nxpk= 25, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#    0 AMB  25-2:372     50 VAL  MGX         4.50    (#    372:25  Single Ambig)
 &rst
  ixpk= 372, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 782, 798,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   38 LYS  HN           50 VAL  MGX         5.50    (#    373:25  Unique         5.33, 6.84 A)
 &rst
  ixpk= 373, nxpk= 25, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#    0 AMB  25-2:375     50 VAL  MGX         2.50    (#    375:25  Single Ambig)
 &rst
  ixpk= 375, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 733, 738, 731, 740,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   96 GLN  HN           92 VAL  MGY         5.50    (#    376:25  Unique         4.49, 6.01 A)
 &rst
  ixpk= 376, nxpk= 25, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#    0 AMB  25-2:377     92 VAL  MGY         2.50    (#    377:25  Single Ambig)
 &rst
  ixpk= 377, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1367,1383,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   91 VAL  HN           92 VAL  MGY         4.50    (#    378:25  Unique         4.45, 6.28 A)
 &rst
  ixpk= 378, nxpk= 25, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   85 ILE  HN           78 VAL  MGX         5.50    (#    379:25  Unique         4.58, 6.06 A)
 &rst
  ixpk= 379, nxpk= 25, iat=1281,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   38 LYS  HN           78 VAL  MGX         5.50    (#    380:25  Unique         6.68, 7.73 A)
 &rst
  ixpk= 380, nxpk= 25, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   86 GLY  HN           91 VAL  MGY         5.50    (#    382:25  Unique         4.44, 6.47 A)
 &rst
  ixpk= 382, nxpk= 25, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   78 VAL  HN           91 VAL  MGY         5.50    (#    383:25  Unique         5.03, 6.44 A)
 &rst
  ixpk= 383, nxpk= 25, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  25-2:384      0 AMB  25-1:384    3.50    (#    384:25  Double Ambig)
 &rst
  ixpk= 384, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1367,1420,
 igr2=1357,1358,1359,1361,1362,1363,1516,1517,1518,1520,
      1521,1522,
 &end
#
#   91 VAL  HN           91 VAL  MGY         3.50    (#    385:25  Unique         2.08, 3.15 A)
 &rst
  ixpk= 385, nxpk= 25, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  25-2:386     66 LEU  MDX         4.50    (#    386:25  Single Ambig)
 &rst
  ixpk= 386, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1012,1063,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   26 PHE  HD           66 LEU  MDX         4.50    (#    387:25  Unique         2.81, 4.87 A)
 &rst
  ixpk= 387, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 388, 396,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:388     66 LEU  MDX         4.50    (#    388:25  Single Ambig)
 &rst
  ixpk= 388, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1276,1277, 392,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   79 PHE  HE           66 LEU  MDX         3.50    (#    389:25  Unique         2.27, 5.42 A)
 &rst
  ixpk= 389, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1199,1203,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   69 TRP  HZ3          66 LEU  MDX         4.50    (#    390:25  Unique         3.02, 4.29 A)
 &rst
  ixpk= 390, nxpk= 25, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   66 LEU  HN           66 LEU  MDX         3.50    (#    391:25  Unique         2.63, 4.21 A)
 &rst
  ixpk= 391, nxpk= 25, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   77 ASN  HD2+         66 LEU  MDX         4.50    (#    392:25  Unique         2.18, 5.24 A)
 &rst
  ixpk= 392, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1168,1169,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   69 TRP  HE3          66 LEU  MDX         3.50    (#    393:25  Unique         2.32, 3.86 A)
 &rst
  ixpk= 393, nxpk= 25, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   13 LYS  HN            9 ALA  HA          5.50    (#    394:25  Unique         3.96, 4.07 A)
 &rst
  ixpk= 394, nxpk= 25, iat= 188, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 TYR  HD           23 VAL  MGX         5.50    (#    395:25  Unique         4.14, 6.15 A)
 &rst
  ixpk= 395, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 731, 740,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   79 PHE  HN           78 VAL  MGX         4.50    (#    396:25  Unique         2.53, 4.12 A)
 &rst
  ixpk= 396, nxpk= 25, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  25-2:397      0 AMB  25-1:397    2.50    (#    397:25  Double Ambig)
 &rst
  ixpk= 397, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1173, 348,
 igr2=1179,1180,1181,1183,1184,1185, 338, 339, 340, 342,
       343, 344,
 &end
#
#    0 AMB  25-2:398      0 AMB  25-1:398    4.50    (#    398:25  Double Ambig)
 &rst
  ixpk= 398, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1159, 744,1209,
 igr2=1179,1180,1181,1183,1184,1185, 338, 339, 340, 342,
       343, 344,
 &end
#
#    0 AMB  25-2:399     78 VAL  MGX         5.50    (#    399:25  Single Ambig)
 &rst
  ixpk= 399, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1307,1337,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   91 VAL  HN           78 VAL  MGX         4.50    (#    400:25  Unique         4.32, 6.00 A)
 &rst
  ixpk= 400, nxpk= 25, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   53 LEU  HN            0 AMB  25-1:402    5.50    (#    402:25  Single Ambig)
 &rst
  ixpk= 402, nxpk= 25, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 868, 869, 870, 872, 873, 874, 772, 773, 774, 776,
       777, 778,
 &end
#
#   57 SER  HN           56 LEU  MDX         5.50    (#    403:25  Unique         2.17, 4.29 A)
 &rst
  ixpk= 403, nxpk= 25, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#    0 AMB  25-2:404      0 AMB  25-1:404    4.50    (#    404:25  Double Ambig)
 &rst
  ixpk= 404, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1626, 844,
 igr2=1568,1569,1570,1572,1573,1574, 868, 869, 870, 872,
       873, 874,
 &end
#
#   56 LEU  HN           56 LEU  MDX         4.50    (#    405:25  Unique         3.44, 5.16 A)
 &rst
  ixpk= 405, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#    0 AMB  25-2:406      0 AMB  25-1:406    5.50    (#    406:25  Double Ambig)
 &rst
  ixpk= 406, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1614, 571,
 igr2=1568,1569,1570,1572,1573,1574, 772, 773, 774, 776,
       777, 778,
 &end
#
#    0 AMB  25-2:407      0 AMB  25-1:407    4.50    (#    407:25  Double Ambig)
 &rst
  ixpk= 407, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 901,1578,
 igr2= 868, 869, 870, 872, 873, 874,1568,1569,1570,1572,
      1573,1574,
 &end
#
#  103 LEU  HN          103 LEU  MDX         4.50    (#    408:25  Unique         3.86, 5.18 A)
 &rst
  ixpk= 408, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1568,1569,1570,1572,1573,1574,
 &end
#
#   18 ALA  HN           17 LEU  MDX         5.50    (#    409:25  Unique         4.81, 5.66 A)
 &rst
  ixpk= 409, nxpk= 25, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#    0 AMB  25-2:411      0 AMB  25-1:411    4.50    (#    411:25  Double Ambig)
 &rst
  ixpk= 411, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1337,1307,1507,
 igr2=1357,1358,1359,1361,1362,1363,1516,1517,1518,1520,
      1521,1522,
 &end
#
#   95 HIS  HE1         100 LEU  MDX         5.50    (#    412:25  Unique         4.67, 7.53 A)
 &rst
  ixpk= 412, nxpk= 25, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#   14 ALA  HN           10 ALA  HA          5.50    (#    414:25  Unique         3.81, 3.91 A)
 &rst
  ixpk= 414, nxpk= 25, iat= 210, 139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 ALA  HN           10 ALA  HA          3.50    (#    415:25  Unique         2.84, 2.85 A)
 &rst
  ixpk= 415, nxpk= 25, iat= 137, 139, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HN           10 ALA  HA          4.50    (#    416:25  Unique         3.12, 3.33 A)
 &rst
  ixpk= 416, nxpk= 25, iat= 188, 139, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:417     90 THR  MG2         4.50    (#    417:25  Single Ambig)
 &rst
  ixpk= 417, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1398,1383,1367,
 igr2=1343,1344,1345,
 &end
#
#    0 AMB  25-2:418     90 THR  MG2         4.50    (#    418:25  Single Ambig)
 &rst
  ixpk= 418, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1307,1337,
 igr2=1343,1344,1345,
 &end
#
#   91 VAL  HN           90 THR  MG2         4.50    (#    419:25  Unique         3.99, 4.61 A)
 &rst
  ixpk= 419, nxpk= 25, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1343,1344,1345,
 &end
#
#   86 GLY  HN           90 THR  MG2         5.50    (#    420:25  Unique         4.51, 5.47 A)
 &rst
  ixpk= 420, nxpk= 25, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1343,1344,1345,
 &end
#
#    0 AMB  25-2:421     23 VAL  MGX         5.50    (#    421:25  Single Ambig)
 &rst
  ixpk= 421, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1646, 702,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   23 VAL  HN           23 VAL  MGX         3.50    (#    422:25  Unique         3.09, 4.35 A)
 &rst
  ixpk= 422, nxpk= 25, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   83 LYS  HN          103 LEU  MDX         5.50    (#    424:25  Unique         5.72, 7.59 A)
 &rst
  ixpk= 424, nxpk= 25, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1568,1569,1570,1572,1573,1574,
 &end
#
#   26 PHE  HE           24 VAL  MGY         5.50    (#    425:25  Unique         3.36, 5.56 A)
 &rst
  ixpk= 425, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 390, 394,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:426     50 VAL  MGY         3.50    (#    426:25  Single Ambig)
 &rst
  ixpk= 426, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 782, 798,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#    0 AMB  25-2:427     50 VAL  MGY         4.50    (#    427:25  Single Ambig)
 &rst
  ixpk= 427, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 733, 738, 731, 740,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   26 PHE  HZ           17 LEU  MDX         4.50    (#    428:25  Unique         3.97, 5.37 A)
 &rst
  ixpk= 428, nxpk= 25, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   26 PHE  HE           17 LEU  MDX         5.50    (#    429:25  Unique         2.37, 5.80 A)
 &rst
  ixpk= 429, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 390, 394,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   17 LEU  HN           17 LEU  MDX         3.50    (#    430:25  Unique         3.49, 4.46 A)
 &rst
  ixpk= 430, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   26 PHE  HD           17 LEU  MDX         5.50    (#    431:25  Unique         3.77, 7.12 A)
 &rst
  ixpk= 431, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 388, 396,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   27 SER  HN           75 VAL  MGY         5.50    (#    432:25  Unique         3.86, 5.77 A)
 &rst
  ixpk= 432, nxpk= 25, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   53 LEU  HN           75 VAL  MGY         5.50    (#    433:25  Unique         4.28, 6.43 A)
 &rst
  ixpk= 433, nxpk= 25, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:434      0 AMB  25-1:434    5.50    (#    434:25  Double Ambig)
 &rst
  ixpk= 434, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1526,1189,
 igr2=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   50 VAL  HN           49 LYS  HA          2.50    (#    435:25  Unique         2.29, 2.35 A)
 &rst
  ixpk= 435, nxpk= 25, iat= 766, 746, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  25-2:436     24 VAL  MGY         2.50    (#    436:25  Single Ambig)
 &rst
  ixpk= 436, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 364, 348, 380,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   20 SER  HN           24 VAL  MGY         4.50    (#    437:25  Unique         2.86, 4.82 A)
 &rst
  ixpk= 437, nxpk= 25, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:438     24 VAL  MGY         3.50    (#    438:25  Single Ambig)
 &rst
  ixpk= 438, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 308, 332,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:439     24 VAL  MGY         5.50    (#    439:25  Single Ambig)
 &rst
  ixpk= 439, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 286,1197,1205,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   50 VAL  HN           50 VAL  MGY         3.50    (#    440:25  Unique         2.49, 4.13 A)
 &rst
  ixpk= 440, nxpk= 25, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   77 ASN  HN           75 VAL  MGY         4.50    (#    441:25  Unique         3.46, 5.75 A)
 &rst
  ixpk= 441, nxpk= 25, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   63 GLN  HE2-         75 VAL  MGY         5.50    (#    442:25  Unique         2.78, 5.57 A)
 &rst
  ixpk= 442, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 967, 968,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   79 PHE  HN           24 VAL  MGY         5.50    (#    445:25  Unique         4.85, 5.78 A)
 &rst
  ixpk= 445, nxpk= 25, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   92 VAL  HN           91 VAL  MGX         3.50    (#    446:25  Unique         2.52, 4.25 A)
 &rst
  ixpk= 446, nxpk= 25, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  25-2:447     37 VAL  MGX         3.50    (#    447:25  Single Ambig)
 &rst
  ixpk= 447, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 571, 629,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   91 VAL  HN           91 VAL  MGX         3.50    (#    448:25  Unique         2.08, 3.15 A)
 &rst
  ixpk= 448, nxpk= 25, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   42 THR  HN           41 LEU  MDX         5.50    (#    450:25  Unique         4.83, 5.71 A)
 &rst
  ixpk= 450, nxpk= 25, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   41 LEU  HN           41 LEU  MDX         3.50    (#    451:25  Unique         2.50, 4.28 A)
 &rst
  ixpk= 451, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:452     41 LEU  MDX         5.50    (#    452:25  Single Ambig)
 &rst
  ixpk= 452, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 610, 723, 679,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:453     41 LEU  MDX         4.50    (#    453:25  Single Ambig)
 &rst
  ixpk= 453, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 731, 740, 733, 738,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   54 ASP  HN           29 THR  MG2         5.50    (#    454:25  Unique         3.31, 4.75 A)
 &rst
  ixpk= 454, nxpk= 25, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 439, 440, 441,
 &end
#
#   29 THR  HN           29 THR  MG2         4.50    (#    455:25  Unique         2.40, 3.32 A)
 &rst
  ixpk= 455, nxpk= 25, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 439, 440, 441,
 &end
#
#   52 GLU  HN           29 THR  MG2         5.50    (#    456:25  Unique         5.53, 6.27 A)
 &rst
  ixpk= 456, nxpk= 25, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 439, 440, 441,
 &end
#
#  105 GLN  HN          110 THR  MG2         5.50    (#    457:25  Unique         3.78, 5.33 A)
 &rst
  ixpk= 457, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1662,1663,1664,
 &end
#
#  110 THR  HN          110 THR  MG2         3.50    (#    458:25  Unique         2.49, 3.64 A)
 &rst
  ixpk= 458, nxpk= 25, iat=1656,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1662,1663,1664,
 &end
#
#  105 GLN  HE2+        110 THR  MG2         7.00    (#    459:25  Unique         2.45, 6.59 A)
 &rst
  ixpk= 459, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1609,1610,
 igr2=1662,1663,1664,
 &end
#
#    0 AMB  25-2:460    110 THR  MG2         5.50    (#    460:25  Single Ambig)
 &rst
  ixpk= 460, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 712,1702,
 igr2=1662,1663,1664,
 &end
#
#    0 AMB  25-2:461    108 ALA  HA          5.50    (#    461:25  Single Ambig)
 &rst
  ixpk= 461, nxpk= 25, iat=  -1,1638, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1609,1610,1626,
 &end
#
#    0 AMB  25-2:462     42 THR  MG2         5.50    (#    462:25  Single Ambig)
 &rst
  ixpk= 462, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 702, 629,
 igr2= 654, 655, 656,
 &end
#
#   43 GLN  HN           42 THR  MG2         4.50    (#    463:25  Unique         3.71, 4.48 A)
 &rst
  ixpk= 463, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 654, 655, 656,
 &end
#
#   42 THR  HN           42 THR  MG2         4.50    (#    464:25  Unique         4.44, 4.52 A)
 &rst
  ixpk= 464, nxpk= 25, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 654, 655, 656,
 &end
#
#    0 AMB  25-2:465     42 THR  MG2         5.50    (#    465:25  Single Ambig)
 &rst
  ixpk= 465, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 695, 679,
 igr2= 654, 655, 656,
 &end
#
#   48 TYR  HE           42 THR  MG2         5.50    (#    466:25  Unique         3.98, 6.49 A)
 &rst
  ixpk= 466, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 733, 738,
 igr2= 654, 655, 656,
 &end
#
#   75 VAL  HN           74 THR  MG2         3.50    (#    467:25  Unique         2.25, 4.21 A)
 &rst
  ixpk= 467, nxpk= 25, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1121,1122,1123,
 &end
#
#    0 AMB  25-2:468     74 THR  MG2         5.50    (#    468:25  Single Ambig)
 &rst
  ixpk= 468, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1097, 967, 968,
 igr2=1121,1122,1123,
 &end
#
#   74 THR  HN           74 THR  MG2         4.50    (#    469:25  Unique         2.50, 3.63 A)
 &rst
  ixpk= 469, nxpk= 25, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1121,1122,1123,
 &end
#
#    0 AMB  25-2:470     51 VAL  MGY         3.50    (#    470:25  Single Ambig)
 &rst
  ixpk= 470, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 782, 798,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   26 PHE  HD           51 VAL  MGY         3.50    (#    471:25  Unique         2.52, 5.49 A)
 &rst
  ixpk= 471, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 388, 396,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   26 PHE  HE           51 VAL  MGY         3.50    (#    472:25  Unique         2.41, 5.55 A)
 &rst
  ixpk= 472, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 390, 394,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   79 PHE  HN           23 VAL  MGY         5.50    (#    473:25  Unique         4.04, 5.94 A)
 &rst
  ixpk= 473, nxpk= 25, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#  107 ALA  HN          107 ALA  HA          3.50    (#    478:25  Unique         2.87, 2.90 A)
 &rst
  ixpk= 478, nxpk= 25, iat=1626,1628, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  109 ALA  HN          108 ALA  HA          3.50    (#    479:25  Unique         2.85, 2.92 A)
 &rst
  ixpk= 479, nxpk= 25, iat=1646,1638, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  108 ALA  HN          108 ALA  HA          2.50    (#    480:25  Unique         2.20, 2.21 A)
 &rst
  ixpk= 480, nxpk= 25, iat=1636,1638, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  110 THR  HN          108 ALA  HA          5.50    (#    481:25  Unique         2.94, 3.41 A)
 &rst
  ixpk= 481, nxpk= 25, iat=1656,1638, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90 THR  HN           92 VAL  MGX         5.50    (#    482:25  Unique         4.69, 7.07 A)
 &rst
  ixpk= 482, nxpk= 25, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   24 VAL  HN           23 VAL  MGY         3.50    (#    484:25  Unique         2.78, 4.22 A)
 &rst
  ixpk= 484, nxpk= 25, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:485     23 VAL  MGY         4.50    (#    485:25  Single Ambig)
 &rst
  ixpk= 485, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 744,1209,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   23 VAL  HN           23 VAL  MGY         4.50    (#    486:25  Unique         3.09, 4.35 A)
 &rst
  ixpk= 486, nxpk= 25, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   48 TYR  HD           23 VAL  MGY         4.50    (#    487:25  Unique         4.14, 6.15 A)
 &rst
  ixpk= 487, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 731, 740,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:488     25 VAL  MGY         5.50    (#    488:25  Single Ambig)
 &rst
  ixpk= 488, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1159, 744,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:489     70 THR  MG2         4.50    (#    489:25  Single Ambig)
 &rst
  ixpk= 489, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1039,1264,
 igr2=1069,1070,1071,
 &end
#
#   70 THR  HN           70 THR  MG2         3.50    (#    490:25  Unique         2.32, 3.32 A)
 &rst
  ixpk= 490, nxpk= 25, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1069,1070,1071,
 &end
#
#   77 ASN  HD2+         70 THR  MG2         3.50    (#    491:25  Unique         2.11, 4.12 A)
 &rst
  ixpk= 491, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1168,1169,
 igr2=1069,1070,1071,
 &end
#
#   84 GLN  HE2+         70 THR  MG2         4.50    (#    492:25  Unique         2.70, 4.80 A)
 &rst
  ixpk= 492, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1276,1277,
 igr2=1069,1070,1071,
 &end
#
#   69 TRP  HE3          70 THR  MG2         4.50    (#    493:25  Unique         3.02, 4.16 A)
 &rst
  ixpk= 493, nxpk= 25, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1069,1070,1071,
 &end
#
#   79 PHE  HE           70 THR  MG2         4.50    (#    494:25  Unique         2.67, 4.33 A)
 &rst
  ixpk= 494, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1199,1203,
 igr2=1069,1070,1071,
 &end
#
#   84 GLN  HE2-         70 THR  MG2         5.50    (#    495:25  Unique         2.70, 4.80 A)
 &rst
  ixpk= 495, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1276,1277,
 igr2=1069,1070,1071,
 &end
#
#   69 TRP  HZ3          70 THR  MG2         5.50    (#    496:25  Unique         4.43, 5.24 A)
 &rst
  ixpk= 496, nxpk= 25, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1069,1070,1071,
 &end
#
#   47 SER  HN          109 ALA  HA          5.50    (#    497:25  Unique         3.19, 3.45 A)
 &rst
  ixpk= 497, nxpk= 25, iat= 712,1648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  109 ALA  HN          109 ALA  HA          3.50    (#    498:25  Unique         2.84, 2.90 A)
 &rst
  ixpk= 498, nxpk= 25, iat=1646,1648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  110 THR  HN          109 ALA  HA          4.50    (#    499:25  Unique         3.46, 3.56 A)
 &rst
  ixpk= 499, nxpk= 25, iat=1656,1648, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  108 ALA  HN          107 ALA  HA          4.50    (#    500:25  Unique         3.29, 3.33 A)
 &rst
  ixpk= 500, nxpk= 25, iat=1636,1628, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:501     92 VAL  MGX         3.50    (#    501:25  Single Ambig)
 &rst
  ixpk= 501, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1367,1383,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   96 GLN  HE2+         92 VAL  MGX         4.50    (#    502:25  Unique         2.30, 5.93 A)
 &rst
  ixpk= 502, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1449,1450,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   37 VAL  HN           92 VAL  MGX         5.50    (#    503:25  Unique         5.65, 7.67 A)
 &rst
  ixpk= 503, nxpk= 25, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   42 THR  HN           44 VAL  MGY         5.50    (#    504:25  Unique         4.60, 6.62 A)
 &rst
  ixpk= 504, nxpk= 25, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   44 VAL  HN           44 VAL  MGY         2.50    (#    505:25  Unique         1.91, 3.29 A)
 &rst
  ixpk= 505, nxpk= 25, iat= 679,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   95 HIS  HE1          44 VAL  MGY         4.50    (#    506:25  Unique         2.43, 4.25 A)
 &rst
  ixpk= 506, nxpk= 25, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  25-2:507     25 VAL  MGY         3.50    (#    507:25  Single Ambig)
 &rst
  ixpk= 507, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 364, 380,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   48 TYR  HD           25 VAL  MGY         3.50    (#    508:25  Unique         2.61, 6.31 A)
 &rst
  ixpk= 508, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 731, 740,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   47 SER  HN           46 ALA  MB          3.50    (#    509:25  Unique         2.69, 3.69 A)
 &rst
  ixpk= 509, nxpk= 25, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 706, 707, 708,
 &end
#
#    0 AMB  25-2:510     46 ALA  MB          4.50    (#    510:25  Single Ambig)
 &rst
  ixpk= 510, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 723, 695, 679,
 igr2= 706, 707, 708,
 &end
#
#   43 GLN  HN           44 VAL  MGY         5.50    (#    511:25  Unique         4.06, 5.65 A)
 &rst
  ixpk= 511, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   95 HIS  HD2          44 VAL  MGY         5.50    (#    512:25  Unique         5.14, 7.07 A)
 &rst
  ixpk= 512, nxpk= 25, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  25-2:513     25 VAL  MGX         5.50    (#    513:25  Single Ambig)
 &rst
  ixpk= 513, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 571, 629,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   48 TYR  HD           25 VAL  MGX         4.50    (#    514:25  Unique         2.61, 6.31 A)
 &rst
  ixpk= 514, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 731, 740,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:515     25 VAL  MGX         2.50    (#    515:25  Single Ambig)
 &rst
  ixpk= 515, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 364, 380,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:516      0 AMB  25-1:516    4.50    (#    516:25  Double Ambig)
 &rst
  ixpk= 516, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1159, 744,
 igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   51 VAL  HN           25 VAL  MGX         5.50    (#    517:25  Unique         4.25, 5.82 A)
 &rst
  ixpk= 517, nxpk= 25, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   26 PHE  HD           25 VAL  MGX         5.50    (#    518:25  Unique         5.59, 7.90 A)
 &rst
  ixpk= 518, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 388, 396,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#  111 ALA  HN          111 ALA  HA          3.50    (#    519:25  Unique         2.20, 2.67 A)
 &rst
  ixpk= 519, nxpk= 25, iat=1670,1672, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 LYS  HN          111 ALA  HA          3.50    (#    520:25  Unique         2.11, 2.95 A)
 &rst
  ixpk= 520, nxpk= 25, iat=1680,1672, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:523     21 ALA  MB          2.50    (#    523:25  Single Ambig)
 &rst
  ixpk= 523, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 332, 308,
 igr2= 312, 313, 314,
 &end
#
#    0 AMB  25-2:524     21 ALA  MB          5.50    (#    524:25  Single Ambig)
 &rst
  ixpk= 524, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 348, 364,
 igr2= 312, 313, 314,
 &end
#
#   49 LYS  HN           21 ALA  MB          4.50    (#    525:25  Unique         3.21, 3.78 A)
 &rst
  ixpk= 525, nxpk= 25, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 312, 313, 314,
 &end
#
#   20 SER  HN           21 ALA  MB          5.50    (#    526:25  Unique         4.82, 5.58 A)
 &rst
  ixpk= 526, nxpk= 25, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 312, 313, 314,
 &end
#
#   46 ALA  HN           46 ALA  MB          2.50    (#    527:25  Unique         2.40, 2.90 A)
 &rst
  ixpk= 527, nxpk= 25, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 706, 707, 708,
 &end
#
#   48 TYR  HD           46 ALA  MB          3.50    (#    528:25  Unique         2.45, 5.67 A)
 &rst
  ixpk= 528, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 731, 740,
 igr2= 706, 707, 708,
 &end
#
#   79 PHE  HD           78 VAL  MGY         5.50    (#    529:25  Unique         5.12, 7.55 A)
 &rst
  ixpk= 529, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1197,1205,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   79 PHE  HN           78 VAL  MGY         3.50    (#    530:25  Unique         2.53, 4.12 A)
 &rst
  ixpk= 530, nxpk= 25, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   86 GLY  HN           78 VAL  MGY         5.50    (#    531:25  Unique         4.21, 5.42 A)
 &rst
  ixpk= 531, nxpk= 25, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  25-2:532     24 VAL  MGX         3.50    (#    532:25  Single Ambig)
 &rst
  ixpk= 532, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 364, 380,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   26 PHE  HD           24 VAL  MGX         4.50    (#    533:25  Unique         3.65, 6.51 A)
 &rst
  ixpk= 533, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 388, 396,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:534     24 VAL  MGX         4.50    (#    534:25  Single Ambig)
 &rst
  ixpk= 534, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 308, 392,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   26 PHE  HE           24 VAL  MGX         3.50    (#    535:25  Unique         3.36, 5.56 A)
 &rst
  ixpk= 535, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 390, 394,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:537     24 VAL  MGX         4.50    (#    537:25  Single Ambig)
 &rst
  ixpk= 537, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 744, 276,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   47 SER  HN          109 ALA  MB          4.50    (#    538:25  Unique         2.53, 3.88 A)
 &rst
  ixpk= 538, nxpk= 25, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1650,1651,1652,
 &end
#
#  109 ALA  HN          109 ALA  MB          3.50    (#    539:25  Unique         2.40, 2.87 A)
 &rst
  ixpk= 539, nxpk= 25, iat=1646,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1650,1651,1652,
 &end
#
#    0 AMB  25-2:540    109 ALA  MB          5.50    (#    540:25  Single Ambig)
 &rst
  ixpk= 540, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1636,1578,
 igr2=1650,1651,1652,
 &end
#
#  110 THR  HN          109 ALA  MB          4.50    (#    541:25  Unique         2.39, 3.59 A)
 &rst
  ixpk= 541, nxpk= 25, iat=1656,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1650,1651,1652,
 &end
#
#  107 ALA  HN          109 ALA  MB          5.50    (#    542:25  Unique         4.84, 5.52 A)
 &rst
  ixpk= 542, nxpk= 25, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1650,1651,1652,
 &end
#
#   23 VAL  HN          109 ALA  MB          5.50    (#    543:25  Unique         4.73, 5.44 A)
 &rst
  ixpk= 543, nxpk= 25, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1650,1651,1652,
 &end
#
#   95 HIS  HE1          44 VAL  MGX         5.50    (#    548:25  Unique         2.43, 4.25 A)
 &rst
  ixpk= 548, nxpk= 25, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   43 GLN  HN           44 VAL  MGX         5.50    (#    549:25  Unique         4.06, 5.65 A)
 &rst
  ixpk= 549, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   42 THR  HN           44 VAL  MGX         5.50    (#    550:25  Unique         4.60, 6.62 A)
 &rst
  ixpk= 550, nxpk= 25, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   46 ALA  HN           44 VAL  MGX         3.50    (#    551:25  Unique         2.30, 4.66 A)
 &rst
  ixpk= 551, nxpk= 25, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   44 VAL  HN           44 VAL  MGX         2.50    (#    552:25  Unique         1.91, 3.29 A)
 &rst
  ixpk= 552, nxpk= 25, iat= 679,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   95 HIS  HE1          44 VAL  MGX         5.50    (#    553:25  Unique         2.43, 4.25 A)
 &rst
  ixpk= 553, nxpk= 25, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  25-2:554     51 VAL  MGX         5.50    (#    554:25  Single Ambig)
 &rst
  ixpk= 554, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 364, 380,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:555     51 VAL  MGX         3.50    (#    555:25  Single Ambig)
 &rst
  ixpk= 555, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 782, 798,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   26 PHE  HD           51 VAL  MGX         4.50    (#    556:25  Unique         2.52, 5.49 A)
 &rst
  ixpk= 556, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 388, 396,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   26 PHE  HZ           51 VAL  MGX         5.50    (#    557:25  Unique         3.95, 5.76 A)
 &rst
  ixpk= 557, nxpk= 25, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   26 PHE  HE           51 VAL  MGX         4.50    (#    558:25  Unique         2.41, 5.55 A)
 &rst
  ixpk= 558, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 394,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:559    107 ALA  MB          5.50    (#    559:25  Single Ambig)
 &rst
  ixpk= 559, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1597,1209,
 igr2=1630,1631,1632,
 &end
#
#  111 ALA  HN          111 ALA  MB          3.50    (#    560:25  Unique         2.37, 3.21 A)
 &rst
  ixpk= 560, nxpk= 25, iat=1670,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1674,1675,1676,
 &end
#
#  108 ALA  HN          107 ALA  MB          3.50    (#    561:25  Unique         3.49, 4.12 A)
 &rst
  ixpk= 561, nxpk= 25, iat=1636,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1630,1631,1632,
 &end
#
#  107 ALA  HN          107 ALA  MB          2.50    (#    563:25  Unique         2.44, 2.87 A)
 &rst
  ixpk= 563, nxpk= 25, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1630,1631,1632,
 &end
#
#   23 VAL  HN          107 ALA  MB          5.50    (#    564:25  Unique         5.73, 6.66 A)
 &rst
  ixpk= 564, nxpk= 25, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1630,1631,1632,
 &end
#
#  109 ALA  HN          107 ALA  MB          4.50    (#    565:25  Unique         2.70, 3.69 A)
 &rst
  ixpk= 565, nxpk= 25, iat=1646,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1630,1631,1632,
 &end
#
#  110 THR  HN          111 ALA  MB          5.50    (#    567:25  Unique         4.47, 5.94 A)
 &rst
  ixpk= 567, nxpk= 25, iat=1656,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1674,1675,1676,
 &end
#
#  115 ALA  HN          115 ALA  MB          3.50    (#    569:25  Unique         2.48, 3.15 A)
 &rst
  ixpk= 569, nxpk= 25, iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1734,1735,1736,
 &end
#
#  116 GLN  HN          115 ALA  MB          5.50    (#    570:25  Unique         2.07, 3.84 A)
 &rst
  ixpk= 570, nxpk= 25, iat=1740,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1734,1735,1736,
 &end
#
#    0 AMB  25-2:571    107 ALA  MB          5.50    (#    571:25  Single Ambig)
 &rst
  ixpk= 571, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1597,1209,
 igr2=1630,1631,1632,
 &end
#
#  105 GLN  HN          107 ALA  MB          5.50    (#    572:25  Unique         5.13, 6.11 A)
 &rst
  ixpk= 572, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1630,1631,1632,
 &end
#
#   61 GLN  HE2+         10 ALA  MB          5.50    (#    573:25  Unique         2.41, 5.84 A)
 &rst
  ixpk= 573, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 931, 932,
 igr2= 141, 142, 143,
 &end
#
#    0 AMB  25-2:574      0 AMB  25-1:574    2.50    (#    574:25  Double Ambig)
 &rst
  ixpk= 574, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1670, 137,
 igr2=1674,1675,1676, 141, 142, 143,
 &end
#
#   23 VAL  HN           22 PRO  HD-         5.50    (#    576:25  Unique         3.02, 3.58 A)
 &rst
  ixpk= 576, nxpk= 25, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 319, 320,
 &end
#
#   23 VAL  HN           22 PRO  HD+         5.50    (#    577:25  Unique         3.02, 3.58 A)
 &rst
  ixpk= 577, nxpk= 25, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 319, 320,
 &end
#
#    0 AMB  25-2:578      0 AMB  25-1:578    5.50    (#    578:25  Double Ambig)
 &rst
  ixpk= 578, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1730,1680,
 igr2=1717,1718,1717,1718,
 &end
#
#   14 ALA  HN           10 ALA  MB          5.50    (#    579:25  Unique         4.66, 5.47 A)
 &rst
  ixpk= 579, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 141, 142, 143,
 &end
#
#    0 AMB  25-2:580     10 ALA  MB          4.50    (#    580:25  Single Ambig)
 &rst
  ixpk= 580, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 936, 115,
 igr2= 141, 142, 143,
 &end
#
#    0 AMB  25-2:581      9 ALA  MB          2.50    (#    581:25  Single Ambig)
 &rst
  ixpk= 581, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 127, 137,
 igr2= 131, 132, 133,
 &end
#
#   69 TRP  HE3          65 ALA  MB          5.50    (#    582:25  Unique         4.26, 5.36 A)
 &rst
  ixpk= 582, nxpk= 25, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 987, 988, 989,
 &end
#
#    0 AMB  25-2:583      0 AMB  25-1:583    4.50    (#    583:25  Double Ambig)
 &rst
  ixpk= 583, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 115, 936,
 igr2= 131, 132, 133, 987, 988, 989,
 &end
#
#    0 AMB  25-2:584      0 AMB  25-1:584    4.50    (#    584:25  Double Ambig)
 &rst
  ixpk= 584, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1084, 188,
 igr2=1016,1017,1018, 131, 132, 133, 987, 988, 989,
 &end
#
#    5 GLN  HE2-          9 ALA  MB          4.50    (#    585:25  Unique         2.42, 4.78 A)
 &rst
  ixpk= 585, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  76,  77,
 igr2= 131, 132, 133,
 &end
#
#   68 HIS  HD2          65 ALA  MB          5.50    (#    586:25  Unique         3.59, 4.80 A)
 &rst
  ixpk= 586, nxpk= 25, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 987, 988, 989,
 &end
#
#    0 AMB  25-2:587      0 AMB  25-1:587    5.50    (#    587:25  Double Ambig)
 &rst
  ixpk= 587, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  76,  77, 967, 968,
 igr2= 131, 132, 133,1016,1017,1018,
 &end
#
#   66 LEU  HN           65 ALA  MB          3.50    (#    588:25  Unique         2.55, 3.41 A)
 &rst
  ixpk= 588, nxpk= 25, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 987, 988, 989,
 &end
#
#    0 AMB  25-2:589      0 AMB  25-1:589    2.50    (#    589:25  Double Ambig)
 &rst
  ixpk= 589, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1012, 983, 147,
 igr2=1016,1017,1018, 987, 988, 989,
 &end
#
#   68 HIS  HN           67 ALA  MB          3.50    (#    590:25  Unique         2.37, 3.28 A)
 &rst
  ixpk= 590, nxpk= 25, iat=1022,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1016,1017,1018,
 &end
#
#   63 GLN  HE2+         67 ALA  MB          5.50    (#    591:25  Unique         2.69, 5.32 A)
 &rst
  ixpk= 591, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 967, 968,
 igr2=1016,1017,1018,
 &end
#
#   75 VAL  HN           75 VAL  MGX         3.50    (#    592:25  Unique         1.99, 3.47 A)
 &rst
  ixpk= 592, nxpk= 25, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   28 LYS  HN           75 VAL  MGX         5.50    (#    593:25  Unique         3.36, 4.80 A)
 &rst
  ixpk= 593, nxpk= 25, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   63 GLN  HE2-         75 VAL  MGX         4.50    (#    594:25  Unique         2.78, 5.57 A)
 &rst
  ixpk= 594, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 967, 968,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:595     80 ILE  MG2         5.50    (#    595:25  Single Ambig)
 &rst
  ixpk= 595, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1646,1614,
 igr2=1215,1216,1217,
 &end
#
#  101 LEU  HN          102 PRO  HD-         4.50    (#    596:25  Unique         2.43, 2.94 A)
 &rst
  ixpk= 596, nxpk= 25, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1546,1547,
 &end
#
#  101 LEU  HN          102 PRO  HD+         5.50    (#    597:25  Unique         2.43, 2.94 A)
 &rst
  ixpk= 597, nxpk= 25, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1546,1547,
 &end
#
#  103 LEU  HN          102 PRO  HD+         5.50    (#    598:25  Unique         3.04, 3.77 A)
 &rst
  ixpk= 598, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1546,1547,
 &end
#
#  109 ALA  HN          108 ALA  MB          4.50    (#    599:25  Unique         4.17, 4.49 A)
 &rst
  ixpk= 599, nxpk= 25, iat=1646,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1640,1641,1642,
 &end
#
#  110 THR  HN          108 ALA  MB          5.50    (#    600:25  Unique         4.72, 5.55 A)
 &rst
  ixpk= 600, nxpk= 25, iat=1656,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1640,1641,1642,
 &end
#
#  107 ALA  HN          108 ALA  MB          5.50    (#    601:25  Unique         5.56, 6.08 A)
 &rst
  ixpk= 601, nxpk= 25, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1640,1641,1642,
 &end
#
#   73 GLY  HN           67 ALA  MB          5.50    (#    602:25  Unique         3.37, 4.59 A)
 &rst
  ixpk= 602, nxpk= 25, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1016,1017,1018,
 &end
#
#   15 LYS  HN           65 ALA  MB          5.50    (#    603:25  Unique         5.88, 6.65 A)
 &rst
  ixpk= 603, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 987, 988, 989,
 &end
#
#   26 PHE  HD           18 ALA  MB          5.50    (#    604:25  Unique         4.92, 6.76 A)
 &rst
  ixpk= 604, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 388, 396,
 igr2= 280, 281, 282,
 &end
#
#   17 LEU  HN           18 ALA  MB          4.50    (#    605:25  Unique         4.90, 5.47 A)
 &rst
  ixpk= 605, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 280, 281, 282,
 &end
#
#   18 ALA  HN           18 ALA  MB          2.50    (#    606:25  Unique         2.44, 2.85 A)
 &rst
  ixpk= 606, nxpk= 25, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 280, 281, 282,
 &end
#
#    0 AMB  25-2:607     18 ALA  MB          4.50    (#    607:25  Single Ambig)
 &rst
  ixpk= 607, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 220,1242, 242,
 igr2= 280, 281, 282,
 &end
#
#    0 AMB  25-2:608     18 ALA  MB          4.50    (#    608:25  Single Ambig)
 &rst
  ixpk= 608, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1052, 297,
 igr2= 280, 281, 282,
 &end
#
#   26 PHE  HZ           18 ALA  MB          3.50    (#    609:25  Unique         2.39, 3.56 A)
 &rst
  ixpk= 609, nxpk= 25, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 280, 281, 282,
 &end
#
#   69 TRP  HH2          18 ALA  MB          3.50    (#    610:25  Unique         2.34, 2.86 A)
 &rst
  ixpk= 610, nxpk= 25, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 280, 281, 282,
 &end
#
#   69 TRP  HZ3          18 ALA  MB          3.50    (#    611:25  Unique         2.69, 3.77 A)
 &rst
  ixpk= 611, nxpk= 25, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 280, 281, 282,
 &end
#
#   77 ASN  HN           75 VAL  MGX         5.50    (#    612:25  Unique         3.46, 5.75 A)
 &rst
  ixpk= 612, nxpk= 25, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:613     80 ILE  MG2         4.50    (#    613:25  Single Ambig)
 &rst
  ixpk= 613, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1209,1597,
 igr2=1215,1216,1217,
 &end
#
#  104 LEU  HN           80 ILE  MG2         5.50    (#    614:25  Unique         3.86, 5.27 A)
 &rst
  ixpk= 614, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1215,1216,1217,
 &end
#
#  107 ALA  HN           80 ILE  MG2         5.50    (#    615:25  Unique         3.98, 4.67 A)
 &rst
  ixpk= 615, nxpk= 25, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1215,1216,1217,
 &end
#
#  108 ALA  HN          108 ALA  MB          3.50    (#    616:25  Unique         3.01, 3.56 A)
 &rst
  ixpk= 616, nxpk= 25, iat=1636,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1640,1641,1642,
 &end
#
#   14 ALA  HN           14 ALA  MB          2.50    (#    617:25  Unique         2.45, 2.91 A)
 &rst
  ixpk= 617, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  25-2:618     14 ALA  MB          4.50    (#    618:25  Single Ambig)
 &rst
  ixpk= 618, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 147, 983,1012,
 igr2= 214, 215, 216,
 &end
#
#   15 LYS  HN           14 ALA  MB          3.50    (#    619:25  Unique         2.61, 3.49 A)
 &rst
  ixpk= 619, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  25-2:620     14 ALA  MB          4.50    (#    620:25  Single Ambig)
 &rst
  ixpk= 620, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 188,1052,
 igr2= 214, 215, 216,
 &end
#
#   12 LYS  HN           14 ALA  MB          5.50    (#    621:25  Unique         5.21, 6.07 A)
 &rst
  ixpk= 621, nxpk= 25, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  25-2:622     14 ALA  MB          4.50    (#    622:25  Single Ambig)
 &rst
  ixpk= 622, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 390, 394,1054,
 igr2= 214, 215, 216,
 &end
#
#   69 TRP  HZ3          14 ALA  MB          4.50    (#    623:25  Unique         2.32, 3.18 A)
 &rst
  ixpk= 623, nxpk= 25, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 214, 215, 216,
 &end
#
#   10 ALA  HN           14 ALA  MB          7.00    (#    624:25  Unique         6.89, 7.66 A)
 &rst
  ixpk= 624, nxpk= 25, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 214, 215, 216,
 &end
#
#   26 PHE  HZ           14 ALA  MB          5.50    (#    625:25  Unique         3.39, 4.49 A)
 &rst
  ixpk= 625, nxpk= 25, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 214, 215, 216,
 &end
#
#   69 TRP  HE3          14 ALA  MB          4.50    (#    626:25  Unique         2.88, 3.40 A)
 &rst
  ixpk= 626, nxpk= 25, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 214, 215, 216,
 &end
#
#   78 VAL  HN           85 ILE  MG2         5.50    (#    627:25  Unique         5.24, 6.72 A)
 &rst
  ixpk= 627, nxpk= 25, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1287,1288,1289,
 &end
#
#   80 ILE  HN           85 ILE  MG2         5.50    (#    628:25  Unique         5.60, 6.13 A)
 &rst
  ixpk= 628, nxpk= 25, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1287,1288,1289,
 &end
#
#    0 AMB  25-2:629     85 ILE  MG2         5.50    (#    629:25  Single Ambig)
 &rst
  ixpk= 629, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1307,1337,
 igr2=1287,1288,1289,
 &end
#
#   85 ILE  HN           85 ILE  MG2         4.50    (#    630:25  Unique         3.96, 4.64 A)
 &rst
  ixpk= 630, nxpk= 25, iat=1281,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1287,1288,1289,
 &end
#
#    0 AMB  25-2:631     85 ILE  MG2         5.50    (#    631:25  Single Ambig)
 &rst
  ixpk= 631, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1398,1367,
 igr2=1287,1288,1289,
 &end
#
#   91 VAL  HN           85 ILE  MG2         5.50    (#    632:25  Unique         4.38, 5.74 A)
 &rst
  ixpk= 632, nxpk= 25, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1287,1288,1289,
 &end
#
#   86 GLY  HN           85 ILE  MG2         4.50    (#    633:25  Unique         2.99, 4.33 A)
 &rst
  ixpk= 633, nxpk= 25, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1287,1288,1289,
 &end
#
#   59 GLY  HN           59 GLY  HA+         4.50    (#    634:25  Unique         2.23, 2.48 A)
 &rst
  ixpk= 634, nxpk= 25, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 903, 904,
 &end
#
#   32 GLY  HN           32 GLY  QA          3.50    (#    635:25  Unique         2.27, 2.55 A)
 &rst
  ixpk= 635, nxpk= 25, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 480, 481,
 &end
#
#   35 ASN  HN           32 GLY  QA          5.50    (#    636:25  Unique         3.20, 4.08 A)
 &rst
  ixpk= 636, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 480, 481,
 &end
#
#   35 ASN  HD2+         32 GLY  QA          4.50    (#    637:25  Unique         2.89, 5.02 A)
 &rst
  ixpk= 637, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 526, 527,
 igr2= 480, 481,
 &end
#
#   82 GLY  HN           81 GLY  HA-         5.50    (#    638:25  Unique         2.98, 3.29 A)
 &rst
  ixpk= 638, nxpk= 25, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1230,1231,
 &end
#
#   33 TYR  HN           32 GLY  QA          5.50    (#    639:25  Unique         2.83, 3.25 A)
 &rst
  ixpk= 639, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 480, 481,
 &end
#
#   82 GLY  HN           81 GLY  HA+         5.50    (#    640:25  Unique         2.98, 3.29 A)
 &rst
  ixpk= 640, nxpk= 25, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1230,1231,
 &end
#
#    0 AMB  25-2:641     80 ILE  MD1         4.50    (#    641:25  Single Ambig)
 &rst
  ixpk= 641, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1209,1597,
 igr2=1222,1223,1224,
 &end
#
#  104 LEU  HN           80 ILE  MD1         5.50    (#    642:25  Unique         4.24, 5.29 A)
 &rst
  ixpk= 642, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1222,1223,1224,
 &end
#
#  103 LEU  HN           80 ILE  MD1         5.50    (#    643:25  Unique         5.99, 6.73 A)
 &rst
  ixpk= 643, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1222,1223,1224,
 &end
#
#   45 GLY  HN           45 GLY  HA+         3.50    (#    644:25  Unique         2.26, 2.58 A)
 &rst
  ixpk= 644, nxpk= 25, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 697, 698,
 &end
#
#   46 ALA  HN           45 GLY  HA-         4.50    (#    645:25  Unique         2.85, 3.29 A)
 &rst
  ixpk= 645, nxpk= 25, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 697, 698,
 &end
#
#   45 GLY  HN           45 GLY  HA-         3.50    (#    646:25  Unique         2.26, 2.58 A)
 &rst
  ixpk= 646, nxpk= 25, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 697, 698,
 &end
#
#   71 GLY  HN           71 GLY  HA+         3.50    (#    647:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 647, nxpk= 25, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1079,1080,
 &end
#
#   46 ALA  HN           45 GLY  HA+         4.50    (#    648:25  Unique         2.85, 3.29 A)
 &rst
  ixpk= 648, nxpk= 25, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 697, 698,
 &end
#
#   71 GLY  HN           71 GLY  HA-         3.50    (#    649:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 649, nxpk= 25, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1079,1080,
 &end
#
#   82 GLY  HN           82 GLY  HA+         3.50    (#    650:25  Unique         2.28, 2.57 A)
 &rst
  ixpk= 650, nxpk= 25, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1237,1238,
 &end
#
#   83 LYS  HN           82 GLY  HA+         4.50    (#    651:25  Unique         3.15, 3.37 A)
 &rst
  ixpk= 651, nxpk= 25, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1237,1238,
 &end
#
#    0 AMB  25-2:652      0 AMB  25-1:652    5.50    (#    652:25  Double Ambig)
 &rst
  ixpk= 652, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 967, 968,1115,
 igr2=1110,1111,1110,1111,
 &end
#
#   73 GLY  HN           73 GLY  HA-         5.50    (#    654:25  Unique         2.26, 2.59 A)
 &rst
  ixpk= 654, nxpk= 25, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1110,1111,
 &end
#
#    0 AMB  25-2:655     73 GLY  HA-         5.50    (#    655:25  Single Ambig)
 &rst
  ixpk= 655, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 967, 968,1115,
 igr2=1110,1111,
 &end
#
#   82 GLY  HN           82 GLY  HA-         3.50    (#    656:25  Unique         2.28, 2.57 A)
 &rst
  ixpk= 656, nxpk= 25, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1237,1238,
 &end
#
#   83 LYS  HN           82 GLY  HA-         5.50    (#    657:25  Unique         3.15, 3.37 A)
 &rst
  ixpk= 657, nxpk= 25, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1237,1238,
 &end
#
#    0 AMB  25-2:659      0 AMB  25-1:659    4.50    (#    659:25  Double Ambig)
 &rst
  ixpk= 659, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1276,1277,1300,
 igr2=1302,1303,1302,1303,
 &end
#
#   87 GLY  HN           86 GLY  HA+         3.50    (#    660:25  Unique         2.16, 2.63 A)
 &rst
  ixpk= 660, nxpk= 25, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1302,1303,
 &end
#
#   87 GLY  HN           86 GLY  HA-         3.50    (#    661:25  Unique         2.16, 2.63 A)
 &rst
  ixpk= 661, nxpk= 25, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1302,1303,
 &end
#
#    0 AMB  25-2:662     86 GLY  HA-         4.50    (#    662:25  Single Ambig)
 &rst
  ixpk= 662, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1276,1277,1300,
 igr2=1302,1303,
 &end
#
#   87 GLY  HN           87 GLY  HA-         4.50    (#    663:25  Unique         2.41, 2.76 A)
 &rst
  ixpk= 663, nxpk= 25, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1309,1310,
 &end
#
#   88 CYS  HN           87 GLY  HA-         4.50    (#    664:25  Unique         2.34, 2.58 A)
 &rst
  ixpk= 664, nxpk= 25, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1309,1310,
 &end
#
#    0 AMB  25-2:665      0 AMB  25-1:665    5.50    (#    665:25  Double Ambig)
 &rst
  ixpk= 665, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1492,1437,1314,
 igr2=1464,1465, 541, 542,
 &end
#
#   97 ARG  HE           97 ARG  QD          3.50    (#    666:25  Unique         2.28, 2.68 A)
 &rst
  ixpk= 666, nxpk= 25, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1464,1465,
 &end
#
#   36 ARG  HN           36 ARG  HD-         5.50    (#    669:25  Unique         3.58, 4.96 A)
 &rst
  ixpk= 669, nxpk= 25, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 541, 542,
 &end
#
#   33 TYR  HE           36 ARG  HD+         5.50    (#    670:25  Unique         3.79, 6.53 A)
 &rst
  ixpk= 670, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 495, 500,
 igr2= 541, 542,
 &end
#
#    0 AMB  25-2:671      0 AMB  25-1:671    5.50    (#    671:25  Double Ambig)
 &rst
  ixpk= 671, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 531, 555,
 igr2= 541, 542, 541, 542,
 &end
#
#   59 GLY  HN           56 LEU  HB+         5.50    (#    673:25  Unique         2.69, 3.88 A)
 &rst
  ixpk= 673, nxpk= 25, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 863, 864,
 &end
#
#   58 ASP  HN           56 LEU  HB+         5.50    (#    674:25  Unique         2.66, 4.06 A)
 &rst
  ixpk= 674, nxpk= 25, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 863, 864,
 &end
#
#   56 LEU  HN           56 LEU  HB+         5.50    (#    675:25  Unique         2.41, 2.54 A)
 &rst
  ixpk= 675, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 863, 864,
 &end
#
#   56 LEU  HN           56 LEU  HB-         4.50    (#    676:25  Unique         2.41, 2.54 A)
 &rst
  ixpk= 676, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 863, 864,
 &end
#
#   58 ASP  HN           56 LEU  HB-         5.50    (#    677:25  Unique         2.66, 4.06 A)
 &rst
  ixpk= 677, nxpk= 25, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 863, 864,
 &end
#
#   18 ALA  HN           17 LEU  HB+         5.50    (#    678:25  Unique         2.50, 2.98 A)
 &rst
  ixpk= 678, nxpk= 25, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 261, 262,
 &end
#
#   26 PHE  HZ           17 LEU  HB+         5.50    (#    679:25  Unique         2.41, 2.81 A)
 &rst
  ixpk= 679, nxpk= 25, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 261, 262,
 &end
#
#   17 LEU  HN           17 LEU  HB+         4.50    (#    680:25  Unique         2.32, 2.97 A)
 &rst
  ixpk= 680, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 261, 262,
 &end
#
#  117 LEU  HN          117 LEU  QB          4.50    (#    681:25  Unique         2.27, 2.86 A)
 &rst
  ixpk= 681, nxpk= 25, iat=1757,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1761,1762,
 &end
#
#   17 LEU  HN           17 LEU  HB-         5.50    (#    682:25  Unique         2.32, 2.97 A)
 &rst
  ixpk= 682, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 261, 262,
 &end
#
#   17 LEU  HN           17 LEU  HB-         5.50    (#    683:25  Unique         2.32, 2.97 A)
 &rst
  ixpk= 683, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 261, 262,
 &end
#
#   26 PHE  HZ           17 LEU  HB-         5.50    (#    684:25  Unique         2.41, 2.81 A)
 &rst
  ixpk= 684, nxpk= 25, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 261, 262,
 &end
#
#   79 PHE  HN           79 PHE  HB+         5.50    (#    685:25  Unique         2.50, 3.11 A)
 &rst
  ixpk= 685, nxpk= 25, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1193,1194,
 &end
#
#   79 PHE  HD           79 PHE  HB+         4.50    (#    686:25  Unique         2.29, 3.09 A)
 &rst
  ixpk= 686, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1197,1205,
 igr2=1193,1194,
 &end
#
#   77 ASN  HD2+         72 ARG  HD-         5.50    (#    687:25  Unique         3.23, 4.70 A)
 &rst
  ixpk= 687, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1094,1095,
 &end
#
#    0 AMB  25-2:688     72 ARG  HD-         5.50    (#    688:25  Single Ambig)
 &rst
  ixpk= 688, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1097,1276,1277,
 igr2=1094,1095,
 &end
#
#   79 PHE  HD           79 PHE  HB-         4.50    (#    689:25  Unique         2.29, 3.09 A)
 &rst
  ixpk= 689, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1197,1205,
 igr2=1193,1194,
 &end
#
#  100 LEU  HN          100 LEU  HB+         5.50    (#    690:25  Unique         2.24, 2.53 A)
 &rst
  ixpk= 690, nxpk= 25, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1511,1512,
 &end
#
#  100 LEU  HN          100 LEU  HB-         5.50    (#    691:25  Unique         2.24, 2.53 A)
 &rst
  ixpk= 691, nxpk= 25, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1511,1512,
 &end
#
#   83 LYS  HN           83 LYS  QE          7.00    (#    692:25  Unique         4.72, 6.35 A)
 &rst
  ixpk= 692, nxpk= 25, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1255,1256,
 &end
#
#  104 LEU  HN          103 LEU  HB+         4.50    (#    693:25  Unique         2.62, 3.31 A)
 &rst
  ixpk= 693, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1563,1564,
 &end
#
#  103 LEU  HN          103 LEU  HB+         4.50    (#    694:25  Unique         2.11, 2.48 A)
 &rst
  ixpk= 694, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1563,1564,
 &end
#
#    0 AMB  25-2:695      0 AMB  25-1:695    3.50    (#    695:25  Double Ambig)
 &rst
  ixpk= 695, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 936, 955,
 igr2= 940, 941, 940, 941,
 &end
#
#   66 LEU  HN           66 LEU  HB+         4.50    (#    696:25  Unique         2.07, 2.85 A)
 &rst
  ixpk= 696, nxpk= 25, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 997, 998,
 &end
#
#   67 ALA  HN           66 LEU  HB+         4.50    (#    697:25  Unique         2.60, 3.06 A)
 &rst
  ixpk= 697, nxpk= 25, iat=1012,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 997, 998,
 &end
#
#   53 LEU  HN           53 LEU  HB+         5.50    (#    698:25  Unique         2.22, 2.97 A)
 &rst
  ixpk= 698, nxpk= 25, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 817, 818,
 &end
#
#  104 LEU  HN          103 LEU  HB-         5.50    (#    699:25  Unique         2.62, 3.31 A)
 &rst
  ixpk= 699, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1563,1564,
 &end
#
#  103 LEU  HN          103 LEU  HB-         4.50    (#    700:25  Unique         2.11, 2.48 A)
 &rst
  ixpk= 700, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1563,1564,
 &end
#
#   67 ALA  HN           66 LEU  HB-         5.50    (#    702:25  Unique         2.60, 3.06 A)
 &rst
  ixpk= 702, nxpk= 25, iat=1012,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 997, 998,
 &end
#
#   66 LEU  HN           66 LEU  HB-         4.50    (#    703:25  Unique         2.07, 2.85 A)
 &rst
  ixpk= 703, nxpk= 25, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 997, 998,
 &end
#
#    0 AMB  25-2:704     62 LEU  HB-         3.50    (#    704:25  Single Ambig)
 &rst
  ixpk= 704, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 936, 955,
 igr2= 940, 941,
 &end
#
#    0 AMB  25-2:705      0 AMB  25-1:705    5.50    (#    705:25  Double Ambig)
 &rst
  ixpk= 705, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 571, 593,
 igr2= 584, 585, 584, 585,
 &end
#
#  105 GLN  HN          103 LEU  HB+         5.50    (#    706:25  Unique         5.02, 5.51 A)
 &rst
  ixpk= 706, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1563,1564,
 &end
#
#   41 LEU  HN           40 LEU  QB          3.50    (#    707:25  Unique         2.35, 3.06 A)
 &rst
  ixpk= 707, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 614, 615,
 &end
#
#   40 LEU  HN           40 LEU  QB          2.50    (#    708:25  Unique         2.28, 2.47 A)
 &rst
  ixpk= 708, nxpk= 25, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 614, 615,
 &end
#
#   48 TYR  HE           38 LYS  HE+         5.50    (#    709:25  Unique         2.70, 5.43 A)
 &rst
  ixpk= 709, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 733, 738,
 igr2= 584, 585,
 &end
#
#   42 THR  HN           41 LEU  HB+         5.50    (#    712:25  Unique         2.60, 3.15 A)
 &rst
  ixpk= 712, nxpk= 25, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 633, 634,
 &end
#
#  105 GLN  HN          104 LEU  HB+         5.50    (#    713:25  Unique         2.53, 3.10 A)
 &rst
  ixpk= 713, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1582,1583,
 &end
#
#  104 LEU  HN          104 LEU  HB+         5.50    (#    714:25  Unique         2.33, 2.96 A)
 &rst
  ixpk= 714, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1582,1583,
 &end
#
#   11 LEU  HN           11 LEU  QB          2.50    (#    715:25  Unique         2.27, 2.50 A)
 &rst
  ixpk= 715, nxpk= 25, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 151, 152,
 &end
#
#   12 LYS  HN           11 LEU  QB          3.50    (#    716:25  Unique         2.44, 3.38 A)
 &rst
  ixpk= 716, nxpk= 25, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 151, 152,
 &end
#
#  105 GLN  HN          104 LEU  HB-         5.50    (#    717:25  Unique         2.53, 3.10 A)
 &rst
  ixpk= 717, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1582,1583,
 &end
#
#  104 LEU  HN          104 LEU  HB-         4.50    (#    718:25  Unique         2.33, 2.96 A)
 &rst
  ixpk= 718, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1582,1583,
 &end
#
#   41 LEU  HN           41 LEU  HB+         4.50    (#    719:25  Unique         2.15, 2.93 A)
 &rst
  ixpk= 719, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 633, 634,
 &end
#
#    0 AMB  25-2:720     41 LEU  HB-         5.50    (#    720:25  Single Ambig)
 &rst
  ixpk= 720, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 731, 740, 733, 738,
 igr2= 633, 634,
 &end
#
#   41 LEU  HN           41 LEU  HB-         5.50    (#    721:25  Unique         2.15, 2.93 A)
 &rst
  ixpk= 721, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 633, 634,
 &end
#
#    0 AMB  25-2:722     41 LEU  HB-         5.50    (#    722:25  Single Ambig)
 &rst
  ixpk= 722, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 731, 740, 733, 738,
 igr2= 633, 634,
 &end
#
#    0 AMB  25-2:723     15 LYS  HE-         5.50    (#    723:25  Single Ambig)
 &rst
  ixpk= 723, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 220, 242,
 igr2= 233, 234,
 &end
#
#    0 AMB  25-2:724      0 AMB  25-1:724    4.50    (#    724:25  Double Ambig)
 &rst
  ixpk= 724, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=  81, 137, 127,1032,
 igr2= 100, 101, 151, 152,
 &end
#
#   13 LYS  HN           11 LEU  QB          5.50    (#    725:25  Unique         4.99, 5.64 A)
 &rst
  ixpk= 725, nxpk= 25, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 151, 152,
 &end
#
#    8 ASP  HN            7 LEU  QB          4.50    (#    726:25  Unique         2.47, 3.22 A)
 &rst
  ixpk= 726, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 100, 101,
 &end
#
#   80 ILE  HN           80 ILE  HB          4.50    (#    727:25  Unique         2.84, 2.87 A)
 &rst
  ixpk= 727, nxpk= 25, iat=1209,1213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 TRP  HZ2          15 LYS  HE+         5.50    (#    728:25  Unique         2.68, 3.55 A)
 &rst
  ixpk= 728, nxpk= 25, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 233, 234,
 &end
#
#   85 ILE  HN           85 ILE  MD1         4.50    (#    729:25  Unique         3.17, 4.47 A)
 &rst
  ixpk= 729, nxpk= 25, iat=1281,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1294,1295,1296,
 &end
#
#   80 ILE  HN           85 ILE  MD1         4.50    (#    730:25  Unique         2.13, 3.76 A)
 &rst
  ixpk= 730, nxpk= 25, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1294,1295,1296,
 &end
#
#   83 LYS  HN           85 ILE  MD1         5.50    (#    731:25  Unique         4.24, 5.13 A)
 &rst
  ixpk= 731, nxpk= 25, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1294,1295,1296,
 &end
#
#   86 GLY  HN           85 ILE  MD1         5.50    (#    732:25  Unique         4.95, 5.79 A)
 &rst
  ixpk= 732, nxpk= 25, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1294,1295,1296,
 &end
#
#   49 LYS  HN           48 TYR  HB+         5.50    (#    733:25  Unique         2.33, 3.12 A)
 &rst
  ixpk= 733, nxpk= 25, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 727, 728,
 &end
#
#   48 TYR  HD           48 TYR  HB+         4.50    (#    734:25  Unique         2.35, 3.08 A)
 &rst
  ixpk= 734, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 731, 740,
 igr2= 727, 728,
 &end
#
#   48 TYR  HD           48 TYR  HB-         4.50    (#    735:25  Unique         2.35, 3.08 A)
 &rst
  ixpk= 735, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 731, 740,
 igr2= 727, 728,
 &end
#
#   77 ASN  HN           77 ASN  HB+         5.50    (#    737:25  Unique         2.62, 2.94 A)
 &rst
  ixpk= 737, nxpk= 25, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1163,1164,
 &end
#
#   77 ASN  HD2+         77 ASN  HB+         5.50    (#    738:25  Unique         2.18, 3.19 A)
 &rst
  ixpk= 738, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1163,1164,
 &end
#
#  106 ASP  HN          106 ASP  HB+         2.50    (#    739:25  Unique         2.34, 2.50 A)
 &rst
  ixpk= 739, nxpk= 25, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=1618,1619,
 &end
#
#  107 ALA  HN          106 ASP  HB+         4.50    (#    740:25  Unique         2.59, 3.35 A)
 &rst
  ixpk= 740, nxpk= 25, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1618,1619,
 &end
#
#   77 ASN  HD2+         77 ASN  HB-         4.50    (#    741:25  Unique         2.18, 3.19 A)
 &rst
  ixpk= 741, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1168,1169,
 igr2=1163,1164,
 &end
#
#   77 ASN  HN           77 ASN  HB-         5.50    (#    742:25  Unique         2.62, 2.94 A)
 &rst
  ixpk= 742, nxpk= 25, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1163,1164,
 &end
#
#  106 ASP  HN          106 ASP  HB-         3.50    (#    743:25  Unique         2.34, 2.50 A)
 &rst
  ixpk= 743, nxpk= 25, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1618,1619,
 &end
#
#  107 ALA  HN          106 ASP  HB-         3.50    (#    744:25  Unique         2.59, 3.35 A)
 &rst
  ixpk= 744, nxpk= 25, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1618,1619,
 &end
#
#    9 ALA  HN            8 ASP  HB+         3.50    (#    745:25  Unique         2.60, 3.36 A)
 &rst
  ixpk= 745, nxpk= 25, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 119, 120,
 &end
#
#    8 ASP  HN            8 ASP  HB+         3.50    (#    746:25  Unique         2.33, 2.50 A)
 &rst
  ixpk= 746, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 119, 120,
 &end
#
#    9 ALA  HN            8 ASP  HB-         4.50    (#    747:25  Unique         2.60, 3.36 A)
 &rst
  ixpk= 747, nxpk= 25, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 119, 120,
 &end
#
#    8 ASP  HN            8 ASP  HB-         3.50    (#    748:25  Unique         2.33, 2.50 A)
 &rst
  ixpk= 748, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 119, 120,
 &end
#
#    0 AMB  25-2:749     70 THR  HB          5.50    (#    749:25  Single Ambig)
 &rst
  ixpk= 749, nxpk= 25, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1168,1169,1084,
 &end
#
#   70 THR  HN           70 THR  HB          5.50    (#    750:25  Unique         3.61, 3.67 A)
 &rst
  ixpk= 750, nxpk= 25, iat=1063,1067, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 VAL  HN           74 THR  HB          3.50    (#    751:25  Unique         2.21, 2.67 A)
 &rst
  ixpk= 751, nxpk= 25, iat=1129,1119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 THR  HN           74 THR  HB          5.50    (#    752:25  Unique         2.85, 3.42 A)
 &rst
  ixpk= 752, nxpk= 25, iat=1115,1119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 PHE  HN           26 PHE  HB+         5.50    (#    753:25  Unique         2.38, 3.04 A)
 &rst
  ixpk= 753, nxpk= 25, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 384, 385,
 &end
#
#   26 PHE  HD           26 PHE  HB+         4.50    (#    754:25  Unique         2.39, 3.09 A)
 &rst
  ixpk= 754, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 388, 396,
 igr2= 384, 385,
 &end
#
#   26 PHE  HN           26 PHE  HB-         5.50    (#    755:25  Unique         2.38, 3.04 A)
 &rst
  ixpk= 755, nxpk= 25, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 384, 385,
 &end
#
#   26 PHE  HD           26 PHE  HB-         4.50    (#    756:25  Unique         2.39, 3.09 A)
 &rst
  ixpk= 756, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 388, 396,
 igr2= 384, 385,
 &end
#
#   54 ASP  HN           54 ASP  HB+         5.50    (#    757:25  Unique         2.32, 2.52 A)
 &rst
  ixpk= 757, nxpk= 25, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 836, 837,
 &end
#
#  113 ASN  HN          113 ASN  HB-         4.50    (#    758:25  Unique         2.24, 3.02 A)
 &rst
  ixpk= 758, nxpk= 25, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1706,1707,
 &end
#
#  113 ASN  HD2+        113 ASN  HB-         5.50    (#    759:25  Unique         2.21, 3.25 A)
 &rst
  ixpk= 759, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1711,1712,
 igr2=1706,1707,
 &end
#
#    0 AMB  25-2:760      0 AMB  25-1:760    3.50    (#    760:25  Double Ambig)
 &rst
  ixpk= 760, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1702,1325,
 igr2=1706,1707,1329,1330,
 &end
#
#  113 ASN  HD2+        113 ASN  HB+         4.50    (#    761:25  Unique         2.21, 3.25 A)
 &rst
  ixpk= 761, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1711,1712,
 igr2=1706,1707,
 &end
#
#  105 GLN  HE2-        113 ASN  HB+         5.50    (#    762:25  Unique         2.19, 4.56 A)
 &rst
  ixpk= 762, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1609,1610,
 igr2=1706,1707,
 &end
#
#   90 THR  HN           89 ASP  HB+         4.50    (#    763:25  Unique         2.69, 3.42 A)
 &rst
  ixpk= 763, nxpk= 25, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1329,1330,
 &end
#
#   54 ASP  HN           54 ASP  HB-         5.50    (#    764:25  Unique         2.32, 2.52 A)
 &rst
  ixpk= 764, nxpk= 25, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 836, 837,
 &end
#
#   89 ASP  HN           89 ASP  HB-         4.50    (#    765:25  Unique         2.47, 2.51 A)
 &rst
  ixpk= 765, nxpk= 25, iat=1325,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1329,1330,
 &end
#
#  100 LEU  HN          101 LEU  QB          5.50    (#    766:25  Unique         4.56, 5.09 A)
 &rst
  ixpk= 766, nxpk= 25, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1530,1531,
 &end
#
#  101 LEU  HN          101 LEU  QB          3.50    (#    767:25  Unique         2.13, 2.62 A)
 &rst
  ixpk= 767, nxpk= 25, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1530,1531,
 &end
#
#   90 THR  HN           89 ASP  HB-         4.50    (#    768:25  Unique         2.69, 3.42 A)
 &rst
  ixpk= 768, nxpk= 25, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1329,1330,
 &end
#
#   58 ASP  HN           58 ASP  HB+         5.50    (#    769:25  Unique         2.67, 3.07 A)
 &rst
  ixpk= 769, nxpk= 25, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 893, 894,
 &end
#
#   33 TYR  HD           33 TYR  HB+         5.50    (#    770:25  Unique         2.36, 3.09 A)
 &rst
  ixpk= 770, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 493, 502,
 igr2= 489, 490,
 &end
#
#   58 ASP  HN           58 ASP  HB-         5.50    (#    771:25  Unique         2.67, 3.07 A)
 &rst
  ixpk= 771, nxpk= 25, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 893, 894,
 &end
#
#   33 TYR  HD           33 TYR  HB-         5.50    (#    772:25  Unique         2.36, 3.09 A)
 &rst
  ixpk= 772, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 493, 502,
 igr2= 489, 490,
 &end
#
#   30 TYR  HD           30 TYR  HB-         3.50    (#    773:25  Unique         2.41, 3.09 A)
 &rst
  ixpk= 773, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 455, 464,
 igr2= 451, 452,
 &end
#
#   30 TYR  HE           30 TYR  HB-         5.50    (#    774:25  Unique         4.69, 5.11 A)
 &rst
  ixpk= 774, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 457, 462,
 igr2= 451, 452,
 &end
#
#   33 TYR  HN           33 TYR  HB-         5.50    (#    775:25  Unique         2.35, 3.01 A)
 &rst
  ixpk= 775, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 489, 490,
 &end
#
#   30 TYR  HD           30 TYR  HB+         3.50    (#    776:25  Unique         2.41, 3.09 A)
 &rst
  ixpk= 776, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 455, 464,
 igr2= 451, 452,
 &end
#
#  111 ALA  HN          110 THR  HB          4.50    (#    777:25  Unique         2.18, 3.50 A)
 &rst
  ixpk= 777, nxpk= 25, iat=1670,1660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 THR  HN          110 THR  HB          4.50    (#    778:25  Unique         3.38, 3.56 A)
 &rst
  ixpk= 778, nxpk= 25, iat=1656,1660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 ASN  HN           35 ASN  HB+         4.50    (#    779:25  Unique         2.13, 2.58 A)
 &rst
  ixpk= 779, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 521, 522,
 &end
#
#   35 ASN  HD2+         35 ASN  HB+         3.50    (#    780:25  Unique         2.24, 3.32 A)
 &rst
  ixpk= 780, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 526, 527,
 igr2= 521, 522,
 &end
#
#   35 ASN  HD2-         35 ASN  HB+         5.50    (#    781:25  Unique         2.24, 3.32 A)
 &rst
  ixpk= 781, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 526, 527,
 igr2= 521, 522,
 &end
#
#   35 ASN  HN           35 ASN  HB-         4.50    (#    782:25  Unique         2.13, 2.58 A)
 &rst
  ixpk= 782, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 521, 522,
 &end
#
#   35 ASN  HD2+         35 ASN  HB-         3.50    (#    783:25  Unique         2.24, 3.32 A)
 &rst
  ixpk= 783, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 526, 527,
 igr2= 521, 522,
 &end
#
#   43 GLN  HN           42 THR  HB          3.50    (#    784:25  Unique         2.47, 2.69 A)
 &rst
  ixpk= 784, nxpk= 25, iat= 662, 652, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 THR  HN           42 THR  HB          3.50    (#    785:25  Unique         2.45, 2.51 A)
 &rst
  ixpk= 785, nxpk= 25, iat= 648, 652, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 LEU  HN            6 GLU  HG+         5.50    (#    786:25  Unique         3.78, 4.74 A)
 &rst
  ixpk= 786, nxpk= 25, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  88,  89,
 &end
#
#    6 GLU  HN            6 GLU  HG+         4.50    (#    787:25  Unique         2.20, 3.31 A)
 &rst
  ixpk= 787, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  88,  89,
 &end
#
#    6 GLU  HN            6 GLU  HG-         4.50    (#    788:25  Unique         2.20, 3.31 A)
 &rst
  ixpk= 788, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  88,  89,
 &end
#
#   85 ILE  HN           85 ILE  HB          4.50    (#    789:25  Unique         2.35, 2.55 A)
 &rst
  ixpk= 789, nxpk= 25, iat=1281,1285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 GLY  HN           85 ILE  HB          4.50    (#    790:25  Unique         2.49, 2.58 A)
 &rst
  ixpk= 790, nxpk= 25, iat=1300,1285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:791     90 THR  HB          3.50    (#    791:25  Single Ambig)
 &rst
  ixpk= 791, nxpk= 25, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1307,1337,
 &end
#
#   91 VAL  HN           90 THR  HB          4.50    (#    792:25  Unique         2.44, 2.48 A)
 &rst
  ixpk= 792, nxpk= 25, iat=1351,1341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98 ASN  HN           98 ASN  HB+         4.50    (#    793:25  Unique         2.98, 3.36 A)
 &rst
  ixpk= 793, nxpk= 25, iat=1478,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1482,1483,
 &end
#
#   98 ASN  HD2+         98 ASN  HB+         4.50    (#    794:25  Unique         2.28, 3.30 A)
 &rst
  ixpk= 794, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1487,1488,
 igr2=1482,1483,
 &end
#
#   98 ASN  HD2-         98 ASN  HB+         5.50    (#    795:25  Unique         2.28, 3.30 A)
 &rst
  ixpk= 795, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1487,1488,
 igr2=1482,1483,
 &end
#
#   99 GLU  HN           98 ASN  HB+         5.50    (#    796:25  Unique         4.29, 4.50 A)
 &rst
  ixpk= 796, nxpk= 25, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1482,1483,
 &end
#
#   98 ASN  HN           98 ASN  HB-         4.50    (#    797:25  Unique         2.98, 3.36 A)
 &rst
  ixpk= 797, nxpk= 25, iat=1478,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1482,1483,
 &end
#
#   98 ASN  HD2+         98 ASN  HB-         4.50    (#    798:25  Unique         2.28, 3.30 A)
 &rst
  ixpk= 798, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1487,1488,
 igr2=1482,1483,
 &end
#
#   98 ASN  HD2-         98 ASN  HB-         4.50    (#    799:25  Unique         2.28, 3.30 A)
 &rst
  ixpk= 799, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1487,1488,
 igr2=1482,1483,
 &end
#
#    0 AMB  25-2:800      0 AMB  25-1:800    3.50    (#    800:25  Double Ambig)
 &rst
  ixpk= 800, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1398,1383,
 igr2=1390,1391,1390,1391,
 &end
#
#   97 ARG  HE           93 GLU  HG-         4.50    (#    801:25  Unique         2.02, 4.28 A)
 &rst
  ixpk= 801, nxpk= 25, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1390,1391,
 &end
#
#   55 GLU  HN           55 GLU  HG-         4.50    (#    802:25  Unique         2.36, 3.76 A)
 &rst
  ixpk= 802, nxpk= 25, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 851, 852,
 &end
#
#   17 LEU  HN           16 GLU  HG-         5.50    (#    803:25  Unique         3.66, 4.46 A)
 &rst
  ixpk= 803, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 249, 250,
 &end
#
#   16 GLU  HN           16 GLU  HG-         4.50    (#    804:25  Unique         2.37, 3.80 A)
 &rst
  ixpk= 804, nxpk= 25, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 249, 250,
 &end
#
#    0 AMB  25-2:805     93 GLU  HG-         3.50    (#    805:25  Single Ambig)
 &rst
  ixpk= 805, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1398,1383,
 igr2=1390,1391,
 &end
#
#   17 LEU  HN           16 GLU  HG+         5.50    (#    806:25  Unique         3.66, 4.46 A)
 &rst
  ixpk= 806, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 249, 250,
 &end
#
#   16 GLU  HN           16 GLU  HG+         4.50    (#    807:25  Unique         2.37, 3.80 A)
 &rst
  ixpk= 807, nxpk= 25, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 249, 250,
 &end
#
#   99 GLU  HN           99 GLU  QG          4.50    (#    808:25  Unique         2.78, 4.42 A)
 &rst
  ixpk= 808, nxpk= 25, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1499,1500,
 &end
#
#   91 VAL  HN           91 VAL  HA          4.50    (#    809:25  Unique         2.88, 2.89 A)
 &rst
  ixpk= 809, nxpk= 25, iat=1351,1353, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 VAL  HN           24 VAL  HB          4.50    (#    810:25  Unique         2.82, 2.87 A)
 &rst
  ixpk= 810, nxpk= 25, iat= 348, 352, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:811     91 VAL  HA          4.50    (#    811:25  Single Ambig)
 &rst
  ixpk= 811, nxpk= 25, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1398,1420,1367,
 &end
#
#   49 LYS  HN           49 LYS  HB+         4.50    (#    812:25  Unique         2.43, 2.79 A)
 &rst
  ixpk= 812, nxpk= 25, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 748, 749,
 &end
#
#   49 LYS  HN           49 LYS  HB-         4.50    (#    813:25  Unique         2.43, 2.79 A)
 &rst
  ixpk= 813, nxpk= 25, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 748, 749,
 &end
#
#   43 GLN  HN           42 THR  HA          5.50    (#    814:25  Unique         3.59, 3.61 A)
 &rst
  ixpk= 814, nxpk= 25, iat= 662, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 THR  HN           42 THR  HA          3.50    (#    815:25  Unique         2.82, 2.84 A)
 &rst
  ixpk= 815, nxpk= 25, iat= 648, 650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 ALA  HN           42 THR  HA          5.50    (#    816:25  Unique         3.57, 3.77 A)
 &rst
  ixpk= 816, nxpk= 25, iat= 702, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:817     42 THR  HA          4.50    (#    817:25  Single Ambig)
 &rst
  ixpk= 817, nxpk= 25, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 695, 679,
 &end
#
#   48 TYR  HE           42 THR  HA          4.50    (#    818:25  Unique         2.59, 4.88 A)
 &rst
  ixpk= 818, nxpk= 25, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 733, 738,
 &end
#
#    0 AMB  25-2:819     92 VAL  HA          3.50    (#    819:25  Single Ambig)
 &rst
  ixpk= 819, nxpk= 25, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1367,1420,1383,
 &end
#
#  106 ASP  HN          102 PRO  HA          5.50    (#    820:25  Unique         3.77, 3.98 A)
 &rst
  ixpk= 820, nxpk= 25, iat=1614,1555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:821     37 VAL  HA          4.50    (#    821:25  Single Ambig)
 &rst
  ixpk= 821, nxpk= 25, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 571, 629, 593,
 &end
#
#   40 LEU  HN           37 VAL  HA          4.50    (#    822:25  Unique         3.23, 3.35 A)
 &rst
  ixpk= 822, nxpk= 25, iat= 610, 557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 VAL  HN           37 VAL  HA          4.50    (#    823:25  Unique         2.85, 2.86 A)
 &rst
  ixpk= 823, nxpk= 25, iat= 555, 557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 GLN  HN           61 GLN  HG-         3.50    (#    824:25  Unique         2.08, 2.94 A)
 &rst
  ixpk= 824, nxpk= 25, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 926, 927,
 &end
#
#   61 GLN  HE2-         61 GLN  HG-         5.50    (#    825:25  Unique         2.23, 3.47 A)
 &rst
  ixpk= 825, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 931, 932,
 igr2= 926, 927,
 &end
#
#   61 GLN  HN           61 GLN  HG+         3.50    (#    826:25  Unique         2.08, 2.94 A)
 &rst
  ixpk= 826, nxpk= 25, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 926, 927,
 &end
#
#   49 LYS  HN           23 VAL  HB          5.50    (#    827:25  Unique         3.54, 3.63 A)
 &rst
  ixpk= 827, nxpk= 25, iat= 744, 336, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  105 GLN  HN          102 PRO  HA          5.50    (#    828:25  Unique         3.16, 3.48 A)
 &rst
  ixpk= 828, nxpk= 25, iat=1597,1555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:829    102 PRO  HA          5.50    (#    829:25  Single Ambig)
 &rst
  ixpk= 829, nxpk= 25, iat=  -1,1555, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1609,1610,1559,
 &end
#
#    0 AMB  25-2:830     90 THR  HA          4.50    (#    830:25  Single Ambig)
 &rst
  ixpk= 830, nxpk= 25, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1383,1398,1367,
 &end
#
#   90 THR  HN           90 THR  HA          4.50    (#    831:25  Unique         2.82, 2.83 A)
 &rst
  ixpk= 831, nxpk= 25, iat=1337,1339, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   96 GLN  HE2+         96 GLN  HG-         5.50    (#    832:25  Unique         2.24, 3.30 A)
 &rst
  ixpk= 832, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1449,1450,
 igr2=1444,1445,
 &end
#
#   96 GLN  HN           96 GLN  HG+         3.50    (#    833:25  Unique         2.27, 3.03 A)
 &rst
  ixpk= 833, nxpk= 25, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1444,1445,
 &end
#
#    0 AMB  25-2:834      0 AMB  25-1:834    4.50    (#    834:25  Double Ambig)
 &rst
  ixpk= 834, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1702,  64,
 igr2=1604,1605,  71,  72,
 &end
#
#    0 AMB  25-2:835      0 AMB  25-1:835    3.50    (#    835:25  Double Ambig)
 &rst
  ixpk= 835, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1609,1610, 931, 932,
 igr2=1604,1605, 926, 927,
 &end
#
#    0 AMB  25-2:836      0 AMB  25-1:836    4.50    (#    836:25  Double Ambig)
 &rst
  ixpk= 836, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 972,1757,
 igr2= 962, 963,1604,1605,
 &end
#
#   63 GLN  HE2+         63 GLN  QG          4.50    (#    837:25  Unique         2.23, 3.26 A)
 &rst
  ixpk= 837, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 967, 968,
 igr2= 962, 963,
 &end
#
#   23 VAL  HN           23 VAL  HB          4.50    (#    839:25  Unique         2.79, 2.83 A)
 &rst
  ixpk= 839, nxpk= 25, iat= 332, 336, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 VAL  HN           25 VAL  HB          4.50    (#    840:25  Unique         2.51, 2.67 A)
 &rst
  ixpk= 840, nxpk= 25, iat= 364, 368, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   96 GLN  HN           96 GLN  HG-         3.50    (#    841:25  Unique         2.27, 3.03 A)
 &rst
  ixpk= 841, nxpk= 25, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1444,1445,
 &end
#
#    0 AMB  25-2:842     96 GLN  HG-         5.50    (#    842:25  Single Ambig)
 &rst
  ixpk= 842, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1420,1383,1398,
 igr2=1444,1445,
 &end
#
#    0 AMB  25-2:843     96 GLN  HG-         4.50    (#    843:25  Single Ambig)
 &rst
  ixpk= 843, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1449,1450,1454,
 igr2=1444,1445,
 &end
#
#   43 GLN  HN           43 GLN  HG-         3.50    (#    844:25  Unique         2.52, 3.21 A)
 &rst
  ixpk= 844, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 669, 670,
 &end
#
#    0 AMB  25-2:845      0 AMB  25-1:845    4.50    (#    845:25  Double Ambig)
 &rst
  ixpk= 845, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 610, 679,
 igr2= 669, 670, 600, 601,
 &end
#
#    0 AMB  25-2:846      0 AMB  25-1:846    3.50    (#    846:25  Double Ambig)
 &rst
  ixpk= 846, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 605, 606, 674, 675,
 igr2= 600, 601, 669, 670,
 &end
#
#  105 GLN  HN          105 GLN  HG-         4.50    (#    847:25  Unique         2.27, 3.01 A)
 &rst
  ixpk= 847, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1604,1605,
 &end
#
#    0 AMB  25-2:848      0 AMB  25-1:848    4.50    (#    848:25  Double Ambig)
 &rst
  ixpk= 848, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  81,1670,
 igr2=  71,  72,1604,1605,
 &end
#
#    0 AMB  25-2:849      0 AMB  25-1:849    3.50    (#    849:25  Double Ambig)
 &rst
  ixpk= 849, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1609,1610,1454,
 igr2=1604,1605,1444,1445,
 &end
#
#    0 AMB  25-2:850      0 AMB  25-1:850    4.50    (#    850:25  Double Ambig)
 &rst
  ixpk= 850, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1609,1610,1449,1450,
 igr2=1604,1605,1444,1445,
 &end
#
#  105 GLN  HN          105 GLN  HG+         3.50    (#    851:25  Unique         2.27, 3.01 A)
 &rst
  ixpk= 851, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1604,1605,
 &end
#
#    0 AMB  25-2:852      0 AMB  25-1:852    5.50    (#    852:25  Double Ambig)
 &rst
  ixpk= 852, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1012, 648,
 igr2= 962, 963, 669, 670,
 &end
#
#   43 GLN  HN           43 GLN  HG+         4.50    (#    853:25  Unique         2.52, 3.21 A)
 &rst
  ixpk= 853, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 669, 670,
 &end
#
#    0 AMB  25-2:854      0 AMB  25-1:854    4.50    (#    854:25  Double Ambig)
 &rst
  ixpk= 854, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1609,1610, 967, 968,
 igr2=1604,1605, 962, 963,
 &end
#
#   40 LEU  HN           39 GLN  HG-         4.50    (#    855:25  Unique         4.40, 4.87 A)
 &rst
  ixpk= 855, nxpk= 25, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 600, 601,
 &end
#
#    0 AMB  25-2:857     22 PRO  HA          5.50    (#    857:25  Single Ambig)
 &rst
  ixpk= 857, nxpk= 25, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 332, 308,
 &end
#
#   27 SER  HN           27 SER  HB+         5.50    (#    858:25  Unique         2.58, 3.42 A)
 &rst
  ixpk= 858, nxpk= 25, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 404, 405,
 &end
#
#   27 SER  HN           27 SER  HB-         5.50    (#    859:25  Unique         2.58, 3.42 A)
 &rst
  ixpk= 859, nxpk= 25, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 404, 405,
 &end
#
#   39 GLN  HN           39 GLN  HG+         3.50    (#    860:25  Unique         2.20, 3.06 A)
 &rst
  ixpk= 860, nxpk= 25, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 600, 601,
 &end
#
#    0 AMB  25-2:861      0 AMB  25-1:861    4.50    (#    861:25  Double Ambig)
 &rst
  ixpk= 861, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 605, 606, 674, 675,
 igr2= 600, 601, 669, 670,
 &end
#
#   39 GLN  HN           39 GLN  HG-         3.50    (#    862:25  Unique         2.20, 3.06 A)
 &rst
  ixpk= 862, nxpk= 25, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 600, 601,
 &end
#
#    0 AMB  25-2:863     50 VAL  HB          5.50    (#    863:25  Single Ambig)
 &rst
  ixpk= 863, nxpk= 25, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 731, 740, 733, 738,
 &end
#
#   50 VAL  HN           50 VAL  HB          3.50    (#    864:25  Unique         2.67, 2.97 A)
 &rst
  ixpk= 864, nxpk= 25, iat= 766, 770, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:865     50 VAL  HB          4.50    (#    865:25  Single Ambig)
 &rst
  ixpk= 865, nxpk= 25, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 782, 798,
 &end
#
#    0 AMB  25-2:866     83 LYS  QB          4.50    (#    866:25  Single Ambig)
 &rst
  ixpk= 866, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1264,1209,
 igr2=1246,1247,
 &end
#
#   83 LYS  HN           83 LYS  QB          3.50    (#    867:25  Unique         2.47, 3.02 A)
 &rst
  ixpk= 867, nxpk= 25, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1246,1247,
 &end
#
#   29 THR  HN           29 THR  HA          4.50    (#    868:25  Unique         2.77, 2.82 A)
 &rst
  ixpk= 868, nxpk= 25, iat= 433, 435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 VAL  HN           78 VAL  HB          4.50    (#    869:25  Unique         2.59, 2.69 A)
 &rst
  ixpk= 869, nxpk= 25, iat=1173,1177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 GLY  HN           78 VAL  HB          5.50    (#    870:25  Unique         3.04, 3.24 A)
 &rst
  ixpk= 870, nxpk= 25, iat=1300,1177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  113 ASN  HN          112 LYS  HB+         5.50    (#    871:25  Unique         2.37, 3.63 A)
 &rst
  ixpk= 871, nxpk= 25, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1684,1685,
 &end
#
#   84 GLN  HE2-         84 GLN  HG-         5.50    (#    872:25  Unique         2.18, 3.16 A)
 &rst
  ixpk= 872, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1276,1277,
 igr2=1271,1272,
 &end
#
#    0 AMB  25-2:873      0 AMB  25-1:873    4.50    (#    873:25  Double Ambig)
 &rst
  ixpk= 873, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1276,1277,1300,
 igr2=1271,1272,1271,1272,
 &end
#
#    0 AMB  25-2:874      0 AMB  25-1:874    4.50    (#    874:25  Double Ambig)
 &rst
  ixpk= 874, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 593, 571,
 igr2= 575, 576, 575, 576,
 &end
#
#    0 AMB  25-2:875     38 LYS  HB-         4.50    (#    875:25  Single Ambig)
 &rst
  ixpk= 875, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 593, 571,
 igr2= 575, 576,
 &end
#
#  112 LYS  HN          112 LYS  HB+         3.50    (#    876:25  Unique         2.26, 2.97 A)
 &rst
  ixpk= 876, nxpk= 25, iat=1680,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1684,1685,
 &end
#
#   84 GLN  HN           84 GLN  HG-         4.50    (#    877:25  Unique         2.43, 4.31 A)
 &rst
  ixpk= 877, nxpk= 25, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1271,1272,
 &end
#
#    0 AMB  25-2:878     84 GLN  HG-         4.50    (#    878:25  Single Ambig)
 &rst
  ixpk= 878, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1276,1277,1300,
 igr2=1271,1272,
 &end
#
#  105 GLN  HE2-        112 LYS  HB-         5.50    (#    879:25  Unique         1.93, 4.63 A)
 &rst
  ixpk= 879, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1609,1610,
 igr2=1684,1685,
 &end
#
#  112 LYS  HN          112 LYS  HB-         4.50    (#    880:25  Unique         2.26, 2.97 A)
 &rst
  ixpk= 880, nxpk= 25, iat=1680,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1684,1685,
 &end
#
#   26 PHE  HD           51 VAL  HB          4.50    (#    881:25  Unique         2.41, 4.03 A)
 &rst
  ixpk= 881, nxpk= 25, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 388, 396,
 &end
#
#   85 ILE  HN           84 GLN  HG+         4.50    (#    882:25  Unique         2.19, 3.76 A)
 &rst
  ixpk= 882, nxpk= 25, iat=1281,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1271,1272,
 &end
#
#   84 GLN  HN           84 GLN  HG+         4.50    (#    883:25  Unique         2.43, 4.31 A)
 &rst
  ixpk= 883, nxpk= 25, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1271,1272,
 &end
#
#   84 GLN  HE2-         84 GLN  HG+         5.50    (#    884:25  Unique         2.18, 3.16 A)
 &rst
  ixpk= 884, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1276,1277,
 igr2=1271,1272,
 &end
#
#    4 LYS  HN            3 SER  HB-         5.50    (#    885:25  Unique         2.62, 3.41 A)
 &rst
  ixpk= 885, nxpk= 25, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  35,  36,
 &end
#
#    5 GLN  HN            3 SER  HB-         5.50    (#    886:25  Unique         2.73, 4.57 A)
 &rst
  ixpk= 886, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  35,  36,
 &end
#
#    5 GLN  HN            3 SER  HB+         5.50    (#    887:25  Unique         2.73, 4.57 A)
 &rst
  ixpk= 887, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  35,  36,
 &end
#
#    4 LYS  HN            3 SER  HB+         5.50    (#    888:25  Unique         2.62, 3.41 A)
 &rst
  ixpk= 888, nxpk= 25, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  35,  36,
 &end
#
#   52 GLU  HN           52 GLU  QG          4.50    (#    889:25  Unique         2.34, 3.19 A)
 &rst
  ixpk= 889, nxpk= 25, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 805, 806,
 &end
#
#   51 VAL  HN           51 VAL  HB          4.50    (#    890:25  Unique         2.64, 2.84 A)
 &rst
  ixpk= 890, nxpk= 25, iat= 782, 786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HN           13 LYS  HB+         3.50    (#    891:25  Unique         2.37, 2.52 A)
 &rst
  ixpk= 891, nxpk= 25, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 192, 193,
 &end
#
#    0 AMB  25-2:892      0 AMB  25-1:892    5.50    (#    892:25  Double Ambig)
 &rst
  ixpk= 892, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 242, 220,
 igr2= 170, 171, 192, 193,
 &end
#
#   13 LYS  HN           12 LYS  QB          3.50    (#    893:25  Unique         2.55, 3.25 A)
 &rst
  ixpk= 893, nxpk= 25, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 170, 171,
 &end
#
#    4 LYS  HN            4 LYS  HB-         3.50    (#    894:25  Unique         2.34, 2.74 A)
 &rst
  ixpk= 894, nxpk= 25, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  46,  47,
 &end
#
#   12 LYS  HN           12 LYS  QB          2.50    (#    895:25  Unique         2.30, 2.62 A)
 &rst
  ixpk= 895, nxpk= 25, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 170, 171,
 &end
#
#   34 CYS  HN           34 CYS  HA          5.50    (#    896:25  Unique         2.85, 2.90 A)
 &rst
  ixpk= 896, nxpk= 25, iat= 506, 508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 VAL  HN           22 PRO  HB+         5.50    (#    897:25  Unique         3.76, 4.18 A)
 &rst
  ixpk= 897, nxpk= 25, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 325, 326,
 &end
#
#   23 VAL  HN           22 PRO  HB-         4.50    (#    898:25  Unique         3.76, 4.18 A)
 &rst
  ixpk= 898, nxpk= 25, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 325, 326,
 &end
#
#    0 AMB  25-2:899      0 AMB  25-1:899    3.50    (#    899:25  Double Ambig)
 &rst
  ixpk= 899, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1398,1420,
 igr2=1402,1403,1402,1403,
 &end
#
#    5 GLN  HN            4 LYS  HB+         4.50    (#    900:25  Unique         2.68, 3.51 A)
 &rst
  ixpk= 900, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  46,  47,
 &end
#
#    4 LYS  HN            4 LYS  HB+         3.50    (#    901:25  Unique         2.34, 2.74 A)
 &rst
  ixpk= 901, nxpk= 25, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  46,  47,
 &end
#
#    5 GLN  HN            4 LYS  HB-         4.50    (#    902:25  Unique         2.68, 3.51 A)
 &rst
  ixpk= 902, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  46,  47,
 &end
#
#    0 AMB  25-2:903      0 AMB  25-1:903    5.50    (#    903:25  Double Ambig)
 &rst
  ixpk= 903, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  81, 127, 137,
 igr2=  46,  47, 170, 171,
 &end
#
#   94 LYS  HN           94 LYS  HB-         4.50    (#    904:25  Unique         2.40, 3.02 A)
 &rst
  ixpk= 904, nxpk= 25, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1402,1403,
 &end
#
#    0 AMB  25-2:905      0 AMB  25-1:905    3.50    (#    905:25  Double Ambig)
 &rst
  ixpk= 905, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 220, 242,1507,
 igr2= 224, 225,1402,1403,
 &end
#
#   19 SER  HN           19 SER  HB+         4.50    (#    906:25  Unique         2.51, 3.19 A)
 &rst
  ixpk= 906, nxpk= 25, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 290, 291,
 &end
#
#   20 SER  HN           19 SER  HB-         5.50    (#    907:25  Unique         3.23, 4.06 A)
 &rst
  ixpk= 907, nxpk= 25, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 290, 291,
 &end
#
#   19 SER  HN           19 SER  HB-         4.50    (#    908:25  Unique         2.51, 3.19 A)
 &rst
  ixpk= 908, nxpk= 25, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 290, 291,
 &end
#
#   99 GLU  HN           99 GLU  HB+         4.50    (#    909:25  Unique         2.29, 2.69 A)
 &rst
  ixpk= 909, nxpk= 25, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1496,1497,
 &end
#
#   99 GLU  HN           99 GLU  HB-         4.50    (#    910:25  Unique         2.29, 2.69 A)
 &rst
  ixpk= 910, nxpk= 25, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1496,1497,
 &end
#
#   77 ASN  HN           75 VAL  HB          5.50    (#    911:25  Unique         4.11, 4.38 A)
 &rst
  ixpk= 911, nxpk= 25, iat=1159,1133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:912     92 VAL  HB          3.50    (#    912:25  Single Ambig)
 &rst
  ixpk= 912, nxpk= 25, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1367,1383,
 &end
#
#   20 SER  HN           20 SER  HB+         5.50    (#    913:25  Unique         2.36, 2.99 A)
 &rst
  ixpk= 913, nxpk= 25, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#   20 SER  HN           20 SER  HB-         4.50    (#    914:25  Unique         2.36, 2.99 A)
 &rst
  ixpk= 914, nxpk= 25, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 301, 302,
 &end
#
#   47 SER  HN           47 SER  HB+         3.50    (#    915:25  Unique         2.44, 3.07 A)
 &rst
  ixpk= 915, nxpk= 25, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 716, 717,
 &end
#
#   48 TYR  HD           47 SER  HB-         5.50    (#    916:25  Unique         5.49, 7.02 A)
 &rst
  ixpk= 916, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 731, 740,
 igr2= 716, 717,
 &end
#
#   47 SER  HN           47 SER  HB-         3.50    (#    917:25  Unique         2.44, 3.07 A)
 &rst
  ixpk= 917, nxpk= 25, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 716, 717,
 &end
#
#   48 TYR  HN           47 SER  HB-         4.50    (#    918:25  Unique         3.09, 3.89 A)
 &rst
  ixpk= 918, nxpk= 25, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 716, 717,
 &end
#
#    0 AMB  25-2:919     91 VAL  HB          4.50    (#    919:25  Single Ambig)
 &rst
  ixpk= 919, nxpk= 25, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1367,1420,1398,
 &end
#
#   38 LYS  HN           37 VAL  HB          4.50    (#    920:25  Unique         2.52, 2.62 A)
 &rst
  ixpk= 920, nxpk= 25, iat= 571, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 VAL  HN           37 VAL  HB          2.50    (#    921:25  Unique         2.36, 2.44 A)
 &rst
  ixpk= 921, nxpk= 25, iat= 555, 559, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  25-2:922      0 AMB  25-1:922    4.50    (#    922:25  Double Ambig)
 &rst
  ixpk= 922, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1168,1169,1084,
 igr2=1088,1089,1088,1089,
 &end
#
#    0 AMB  25-2:923     72 ARG  HB-         4.50    (#    923:25  Single Ambig)
 &rst
  ixpk= 923, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1168,1169,1084,
 igr2=1088,1089,
 &end
#
#  115 ALA  HN          114 PRO  HA          3.50    (#    924:25  Unique         2.49, 3.41 A)
 &rst
  ixpk= 924, nxpk= 25, iat=1730,1726, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   96 GLN  HN           95 HIS  HB+         5.50    (#    925:25  Unique         2.51, 3.29 A)
 &rst
  ixpk= 925, nxpk= 25, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1424,1425,
 &end
#
#   44 VAL  HN           44 VAL  HB          4.50    (#    926:25  Unique         2.37, 3.42 A)
 &rst
  ixpk= 926, nxpk= 25, iat= 679, 683, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:927     38 LYS  HD-         5.50    (#    927:25  Single Ambig)
 &rst
  ixpk= 927, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 571, 593,
 igr2= 581, 582,
 &end
#
#    0 AMB  25-2:928      0 AMB  25-1:928    5.50    (#    928:25  Double Ambig)
 &rst
  ixpk= 928, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 571, 593,
 igr2= 581, 582, 581, 582,
 &end
#
#   69 TRP  HE3          69 TRP  HB+         5.50    (#    930:25  Unique         2.47, 2.97 A)
 &rst
  ixpk= 930, nxpk= 25, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1043,1044,
 &end
#
#   96 GLN  HN           95 HIS  HB-         5.50    (#    931:25  Unique         2.51, 3.29 A)
 &rst
  ixpk= 931, nxpk= 25, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1424,1425,
 &end
#
#   69 TRP  HN           69 TRP  HB+         5.50    (#    932:25  Unique         2.23, 2.40 A)
 &rst
  ixpk= 932, nxpk= 25, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1043,1044,
 &end
#
#  103 LEU  HN          102 PRO  HB+         5.50    (#    933:25  Unique         2.45, 3.36 A)
 &rst
  ixpk= 933, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1552,1553,
 &end
#
#  103 LEU  HN          102 PRO  HB-         5.50    (#    934:25  Unique         2.45, 3.36 A)
 &rst
  ixpk= 934, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1552,1553,
 &end
#
#    0 AMB  25-2:936      0 AMB  25-1:936    5.50    (#    936:25  Double Ambig)
 &rst
  ixpk= 936, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 105, 106, 107, 109, 110, 111, 105, 106, 107, 109,
       110, 111,
 igr2= 976, 977, 976, 977,
 &end
#
#    0 AMB  25-2:937      0 AMB  25-1:937    4.50    (#    937:25  Double Ambig)
 &rst
  ixpk= 937, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 987, 988, 989,1016,1017,1018,
 igr2= 976, 977, 976, 977,
 &end
#
#    7 LEU  MDY          64 SER  HB-         5.50    (#    938:25  Unique         2.66, 4.74 A)
 &rst
  ixpk= 938, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 105, 106, 107, 109, 110, 111,
 igr2= 976, 977,
 &end
#
#   64 SER  HA           64 SER  HB-         2.50    (#    939:25  Unique         2.42, 2.75 A)
 &rst
  ixpk= 939, nxpk= 25, iat= 974,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 976, 977,
 &end
#
#    0 AMB  25-2:940     64 SER  HB-         4.50    (#    940:25  Single Ambig)
 &rst
  ixpk= 940, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 987, 988, 989,1016,1017,1018,
 igr2= 976, 977,
 &end
#
#   88 CYS  HB+          88 CYS  HA          4.50    (#    941:25  Unique         2.35, 2.57 A)
 &rst
  ixpk= 941, nxpk= 25, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1318,1319,
 &end
#
#   88 CYS  HB-          88 CYS  HA          4.50    (#    942:25  Unique         2.35, 2.57 A)
 &rst
  ixpk= 942, nxpk= 25, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1318,1319,
 &end
#
#    0 AMB  25-2:943     88 CYS  HA          5.50    (#    943:25  Single Ambig)
 &rst
  ixpk= 943, nxpk= 25, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 559,1355,
 &end
#
#    0 AMB  25-2:944     88 CYS  HA          5.50    (#    944:25  Single Ambig)
 &rst
  ixpk= 944, nxpk= 25, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1149,1150,1152,1153,
 &end
#
#   37 VAL  MGY          88 CYS  HA          3.50    (#    945:25  Unique         2.14, 3.77 A)
 &rst
  ixpk= 945, nxpk= 25, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#   52 GLU  HB-          55 GLU  HB+         5.50    (#    946:25  Unique         2.51, 4.45 A)
 &rst
  ixpk= 946, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 802, 803,
 igr2= 848, 849,
 &end
#
#   57 SER  HA           57 SER  QB          2.50    (#    949:25  Unique         2.30, 2.70 A)
 &rst
  ixpk= 949, nxpk= 25, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 882, 883,
 &end
#
#   63 GLN  HB+          60 SER  HA          4.50    (#    950:25  Unique         2.33, 3.16 A)
 &rst
  ixpk= 950, nxpk= 25, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 959, 960,
 &end
#
#    0 AMB  25-2:951     88 CYS  HA          4.50    (#    951:25  Single Ambig)
 &rst
  ixpk= 951, nxpk= 25, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
      1362,1363,1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  25-2:953      0 AMB  25-1:953    5.50    (#    953:25  Double Ambig)
 &rst
  ixpk= 953, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1016,1017,1018, 987, 988, 989,
 igr2=1026,1027,1026,1027,
 &end
#
#   68 HIS  HA           68 HIS  HB-         3.50    (#    954:25  Unique         2.29, 2.66 A)
 &rst
  ixpk= 954, nxpk= 25, iat=1024,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1026,1027,
 &end
#
#    0 AMB  25-2:955     68 HIS  HB-         5.50    (#    955:25  Single Ambig)
 &rst
  ixpk= 955, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1016,1017,1018, 987, 988, 989,
 igr2=1026,1027,
 &end
#
#   11 LEU  MDX          68 HIS  HB-         5.50    (#    956:25  Unique         4.50, 7.62 A)
 &rst
  ixpk= 956, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 156, 157, 158, 160, 161, 162,
 igr2=1026,1027,
 &end
#
#    7 LEU  MDX          68 HIS  HB-         5.50    (#    957:25  Unique         2.50, 4.16 A)
 &rst
  ixpk= 957, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 105, 106, 107, 109, 110, 111,
 igr2=1026,1027,
 &end
#
#   60 SER  QB           60 SER  HA          2.50    (#    959:25  Unique         2.39, 2.72 A)
 &rst
  ixpk= 959, nxpk= 25, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 912, 913,
 &end
#
#   68 HIS  HA           68 HIS  HB+         3.50    (#    960:25  Unique         2.29, 2.66 A)
 &rst
  ixpk= 960, nxpk= 25, iat=1024,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1026,1027,
 &end
#
#   17 LEU  HG           13 LYS  HD-         5.50    (#    963:25  Unique         2.71, 4.69 A)
 &rst
  ixpk= 963, nxpk= 25, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 198, 199,
 &end
#
#   60 SER  HA           60 SER  QB          3.50    (#    965:25  Unique         2.39, 2.72 A)
 &rst
  ixpk= 965, nxpk= 25, iat= 910,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 912, 913,
 &end
#
#   63 GLN  HB+          64 SER  HA          5.50    (#    966:25  Unique         3.93, 5.03 A)
 &rst
  ixpk= 966, nxpk= 25, iat=  -1, 974, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 959, 960,
 &end
#
#   70 THR  MG2          70 THR  HA          3.50    (#    967:25  Unique         2.45, 3.16 A)
 &rst
  ixpk= 967, nxpk= 25, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1069,1070,1071,
 &end
#
#    0 AMB  25-2:969      0 AMB  25-1:969    3.50    (#    969:25  Double Ambig)
 &rst
  ixpk= 969, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 538, 539, 198, 199,
 igr2= 535, 536, 246, 247,
 &end
#
#    0 AMB  25-2:970      0 AMB  25-1:970    3.50    (#    970:25  Double Ambig)
 &rst
  ixpk= 970, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 538, 539, 195, 196,
 igr2= 535, 536, 246, 247,
 &end
#
#   33 TYR  HA           36 ARG  HB-         5.50    (#    971:25  Unique         2.28, 2.84 A)
 &rst
  ixpk= 971, nxpk= 25, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 535, 536,
 &end
#
#   33 TYR  HA           36 ARG  HB+         4.50    (#    972:25  Unique         2.28, 2.84 A)
 &rst
  ixpk= 972, nxpk= 25, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 535, 536,
 &end
#
#    6 GLU  HA            6 GLU  HB+         3.50    (#    973:25  Unique         2.44, 2.77 A)
 &rst
  ixpk= 973, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  85,  86,
 &end
#
#    0 AMB  25-2:974      0 AMB  25-1:974    2.50    (#    974:25  Double Ambig)
 &rst
  ixpk= 974, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=  88,  89,1747,1748,
 igr2=  85,  86,1744,1745,
 &end
#
#   28 LYS  HE-          28 LYS  HD-         4.50    (#    975:25  Unique         2.36, 2.72 A)
 &rst
  ixpk= 975, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 424, 425,
 igr2= 421, 422,
 &end
#
#    0 AMB  25-2:977     28 LYS  HD-         4.50    (#    977:25  Single Ambig)
 &rst
  ixpk= 977, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 415, 416, 415, 416,
 igr2= 421, 422,
 &end
#
#   75 VAL  MGX          28 LYS  HD-         4.50    (#    978:25  Unique         2.29, 4.99 A)
 &rst
  ixpk= 978, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1135,1136,1137,1139,1140,1141,
 igr2= 421, 422,
 &end
#
#   13 LYS  HA           13 LYS  HD-         5.50    (#    979:25  Unique         2.14, 3.83 A)
 &rst
  ixpk= 979, nxpk= 25, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 198, 199,
 &end
#
#   13 LYS  QE           13 LYS  HD-         3.50    (#    980:25  Unique         2.37, 2.73 A)
 &rst
  ixpk= 980, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 201, 202,
 igr2= 198, 199,
 &end
#
#   13 LYS  HG-          13 LYS  HD-         3.50    (#    982:25  Unique         2.26, 2.72 A)
 &rst
  ixpk= 982, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 195, 196,
 igr2= 198, 199,
 &end
#
#   13 LYS  HG+          13 LYS  HD-         3.50    (#    983:25  Unique         2.26, 2.72 A)
 &rst
  ixpk= 983, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 195, 196,
 igr2= 198, 199,
 &end
#
#    0 AMB  25-2:984     13 LYS  HD-         3.50    (#    984:25  Single Ambig)
 &rst
  ixpk= 984, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 945, 946, 947, 949, 950, 951, 266, 267, 268, 270,
       271, 272, 868, 869, 870, 872, 873, 874,
 igr2= 198, 199,
 &end
#
#   13 LYS  HG+          13 LYS  HD+         3.50    (#    986:25  Unique         2.26, 2.72 A)
 &rst
  ixpk= 986, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 195, 196,
 igr2= 198, 199,
 &end
#
#    0 AMB  25-2:987      0 AMB  25-1:987    3.50    (#    987:25  Double Ambig)
 &rst
  ixpk= 987, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 945, 946, 947, 949, 950, 951, 266, 267, 268, 270,
       271, 272, 868, 869, 870, 872, 873, 874,
 igr2= 198, 199, 198, 199, 198, 199,
 &end
#
#   13 LYS  HA           13 LYS  HD+         5.50    (#    989:25  Unique         2.14, 3.83 A)
 &rst
  ixpk= 989, nxpk= 25, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 198, 199,
 &end
#
#   24 VAL  MGX          49 LYS  QD          4.50    (#    991:25  Unique         2.39, 4.47 A)
 &rst
  ixpk= 991, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 754, 755,
 &end
#
#    0 AMB  25-2:993     33 TYR  HA          4.50    (#    993:25  Single Ambig)
 &rst
  ixpk= 993, nxpk= 25, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 541, 542, 489, 490,
 &end
#
#   33 TYR  HB-          33 TYR  HA          4.50    (#    994:25  Unique         2.48, 2.77 A)
 &rst
  ixpk= 994, nxpk= 25, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 489, 490,
 &end
#
#   36 ARG  HB-          33 TYR  HA          4.50    (#    995:25  Unique         2.28, 2.84 A)
 &rst
  ixpk= 995, nxpk= 25, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 535, 536,
 &end
#
#   36 ARG  HB+          33 TYR  HA          3.50    (#    996:25  Unique         2.28, 2.84 A)
 &rst
  ixpk= 996, nxpk= 25, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 535, 536,
 &end
#
#    0 AMB  25-2:997      0 AMB  25-1:997    4.50    (#    997:25  Double Ambig)
 &rst
  ixpk= 997, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 538, 539,1650,1651,1652,
 igr2= 487,1658,
 &end
#
#    0 AMB  25-2:998      0 AMB  25-1:998    3.50    (#    998:25  Double Ambig)
 &rst
  ixpk= 998, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 959, 960, 923, 924, 666, 667,
 igr2= 912, 913, 681,
 &end
#
#    0 AMB  25-2:999      0 AMB  25-1:999    2.50    (#    999:25  Double Ambig)
 &rst
  ixpk= 999, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1= 683, 926, 927,
 igr2= 681, 912, 913,
 &end
#
#   44 VAL  MGY          44 VAL  HA          2.50    (#   1000:25  Unique         2.37, 3.50 A)
 &rst
  ixpk= 1000, nxpk= 25, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#   67 ALA  MB           64 SER  HA          3.50    (#   1001:25  Unique         2.63, 3.56 A)
 &rst
  ixpk= 1001, nxpk= 25, iat=  -1, 974, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1016,1017,1018,
 &end
#
#   36 ARG  HD+          36 ARG  HB-         5.50    (#   1003:25  Unique         2.37, 3.03 A)
 &rst
  ixpk= 1003, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 541, 542,
 igr2= 535, 536,
 &end
#
#   36 ARG  HD-          36 ARG  HB-         5.50    (#   1004:25  Unique         2.37, 3.03 A)
 &rst
  ixpk= 1004, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 541, 542,
 igr2= 535, 536,
 &end
#
#    0 AMB  25-2:1005     0 AMB  25-1:1005   2.50    (#   1005:25  Double Ambig)
 &rst
  ixpk= 1005, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=1390,1391,1747,1748,
 igr2=1387,1388,1744,1745,
 &end
#
#  116 GLN  HA          116 GLN  HB+         4.50    (#   1006:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 1006, nxpk= 25, iat=1742,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1744,1745,
 &end
#
#    0 AMB  25-2:1008     0 AMB  25-1:1008   5.50    (#   1008:25  Double Ambig)
 &rst
  ixpk= 1008, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 561, 562, 563, 565, 566, 567,1373,1374,1375,1377,
      1378,1379,
 igr2= 535, 536, 535, 536,
 &end
#
#   36 ARG  HD-          36 ARG  HB+         4.50    (#   1009:25  Unique         2.37, 3.03 A)
 &rst
  ixpk= 1009, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 541, 542,
 igr2= 535, 536,
 &end
#
#   36 ARG  HD+          36 ARG  HB+         5.50    (#   1010:25  Unique         2.37, 3.03 A)
 &rst
  ixpk= 1010, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 541, 542,
 igr2= 535, 536,
 &end
#
#   36 ARG  HG-          36 ARG  HB+         3.50    (#   1011:25  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1011, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 538, 539,
 igr2= 535, 536,
 &end
#
#   37 VAL  MGX          36 ARG  HB+         5.50    (#   1012:25  Unique         3.41, 6.35 A)
 &rst
  ixpk= 1012, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2= 535, 536,
 &end
#
#  116 GLN  HA          116 GLN  HB-         5.50    (#   1013:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 1013, nxpk= 25, iat=1742,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1744,1745,
 &end
#
#   12 LYS  HA           12 LYS  QD          4.50    (#   1015:25  Unique         3.75, 4.51 A)
 &rst
  ixpk= 1015, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 176, 177,
 &end
#
#   12 LYS  QB           12 LYS  QD          2.50    (#   1016:25  Unique         2.36, 2.90 A)
 &rst
  ixpk= 1016, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 170, 171,
 igr2= 176, 177,
 &end
#
#    0 AMB  25-2:1017    12 LYS  QD          4.50    (#   1017:25  Single Ambig)
 &rst
  ixpk= 1017, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 129, 190,
 igr2= 176, 177,
 &end
#
#   12 LYS  QE           12 LYS  QD          2.50    (#   1018:25  Unique         2.35, 2.71 A)
 &rst
  ixpk= 1018, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 179, 180,
 igr2= 176, 177,
 &end
#
#   12 LYS  HG+          12 LYS  QD          2.50    (#   1019:25  Unique         2.37, 2.74 A)
 &rst
  ixpk= 1019, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 173, 174,
 igr2= 176, 177,
 &end
#
#   12 LYS  HG-          12 LYS  QD          2.50    (#   1020:25  Unique         2.37, 2.74 A)
 &rst
  ixpk= 1020, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 173, 174,
 igr2= 176, 177,
 &end
#
#   49 LYS  HE-          49 LYS  QD          2.50    (#   1021:25  Unique         2.32, 2.63 A)
 &rst
  ixpk= 1021, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 757, 758,
 igr2= 754, 755,
 &end
#
#   49 LYS  HE+          49 LYS  QD          3.50    (#   1022:25  Unique         2.32, 2.63 A)
 &rst
  ixpk= 1022, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 757, 758,
 igr2= 754, 755,
 &end
#
#   49 LYS  HG+          49 LYS  QD          2.50    (#   1023:25  Unique         2.38, 2.77 A)
 &rst
  ixpk= 1023, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 751, 752,
 igr2= 754, 755,
 &end
#
#   17 LEU  HB-          49 LYS  QD          5.50    (#   1024:25  Unique         3.56, 5.74 A)
 &rst
  ixpk= 1024, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 261, 262,
 igr2= 754, 755,
 &end
#
#   51 VAL  MGX          49 LYS  QD          4.50    (#   1025:25  Unique         2.58, 6.05 A)
 &rst
  ixpk= 1025, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 754, 755,
 &end
#
#   85 ILE  HG1+         94 LYS  HD+         5.50    (#   1026:25  Unique         4.42, 6.38 A)
 &rst
  ixpk= 1026, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1291,1292,
 igr2=1408,1409,
 &end
#
#   12 LYS  QB           15 LYS  QD          5.50    (#   1027:25  Unique         4.36, 6.19 A)
 &rst
  ixpk= 1027, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 170, 171,
 igr2= 230, 231,
 &end
#
#   12 LYS  HA           15 LYS  QD          4.50    (#   1028:25  Unique         2.76, 3.80 A)
 &rst
  ixpk= 1028, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 230, 231,
 &end
#
#   15 LYS  HE-          15 LYS  QD          3.50    (#   1029:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1029, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 233, 234,
 igr2= 230, 231,
 &end
#
#   15 LYS  HE+          15 LYS  QD          3.50    (#   1030:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1030, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 233, 234,
 igr2= 230, 231,
 &end
#
#    0 AMB  25-2:1031    15 LYS  QD          2.50    (#   1031:25  Single Ambig)
 &rst
  ixpk= 1031, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 224, 225, 154, 173, 174,
 igr2= 230, 231,
 &end
#
#   15 LYS  HG-          15 LYS  QD          3.50    (#   1032:25  Unique         2.44, 2.76 A)
 &rst
  ixpk= 1032, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 227, 228,
 igr2= 230, 231,
 &end
#
#   15 LYS  HG+          15 LYS  QD          3.50    (#   1033:25  Unique         2.44, 2.76 A)
 &rst
  ixpk= 1033, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 227, 228,
 igr2= 230, 231,
 &end
#
#    0 AMB  25-2:1034   110 THR  HA          5.50    (#   1034:25  Single Ambig)
 &rst
  ixpk= 1034, nxpk= 25, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1687,1688,1674,1675,1676,1582,1583,
 &end
#
#   46 ALA  MB          110 THR  HA          5.50    (#   1035:25  Unique         4.08, 5.44 A)
 &rst
  ixpk= 1035, nxpk= 25, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 706, 707, 708,
 &end
#
#  110 THR  MG2         110 THR  HA          3.50    (#   1036:25  Unique         2.37, 3.20 A)
 &rst
  ixpk= 1036, nxpk= 25, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1662,1663,1664,
 &end
#
#    0 AMB  25-2:1037   110 THR  HA          5.50    (#   1037:25  Single Ambig)
 &rst
  ixpk= 1037, nxpk= 25, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1650,1651,1652,1640,1641,1642,
 &end
#
#  101 LEU  MDX          44 VAL  HA          5.50    (#   1038:25  Unique         3.62, 5.60 A)
 &rst
  ixpk= 1038, nxpk= 25, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#   57 SER  QB           57 SER  HA          2.50    (#   1039:25  Unique         2.30, 2.70 A)
 &rst
  ixpk= 1039, nxpk= 25, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 882, 883,
 &end
#
#    0 AMB  25-2:1041     0 AMB  25-1:1041   2.50    (#   1041:25  Double Ambig)
 &rst
  ixpk= 1041, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 190, 533,1385,
 igr2= 246, 247, 535, 536,1387,1388,
 &end
#
#    0 AMB  25-2:1042     0 AMB  25-1:1042   4.50    (#   1042:25  Double Ambig)
 &rst
  ixpk= 1042, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1= 264,1373,1374,1375,1377,1378,1379,
 igr2= 246, 247,1387,1388, 535, 536,
 &end
#
#    0 AMB  25-2:1043     0 AMB  25-1:1043   3.50    (#   1043:25  Double Ambig)
 &rst
  ixpk= 1043, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 244,1339,
 igr2= 246, 247,1387,1388,
 &end
#
#   13 LYS  HD+          16 GLU  HB+         5.50    (#   1044:25  Unique         2.59, 5.86 A)
 &rst
  ixpk= 1044, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 198, 199,
 igr2= 246, 247,
 &end
#
#    0 AMB  25-2:1045     0 AMB  25-1:1045   2.50    (#   1045:25  Double Ambig)
 &rst
  ixpk= 1045, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 190, 533,
 igr2= 246, 247, 535, 536,
 &end
#
#   16 GLU  HA           16 GLU  HB-         3.50    (#   1046:25  Unique         2.49, 2.80 A)
 &rst
  ixpk= 1046, nxpk= 25, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 246, 247,
 &end
#
#    0 AMB  25-2:1047     0 AMB  25-1:1047   5.50    (#   1047:25  Double Ambig)
 &rst
  ixpk= 1047, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 192, 193, 170, 171,1149,1150,
 igr2= 246, 247, 535, 536,
 &end
#
#    0 AMB  25-2:1048     0 AMB  25-1:1048   4.50    (#   1048:25  Double Ambig)
 &rst
  ixpk= 1048, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 538, 539, 198, 199,
 igr2= 535, 536, 246, 247,
 &end
#
#    0 AMB  25-2:1049    16 GLU  HB-         5.50    (#   1049:25  Single Ambig)
 &rst
  ixpk= 1049, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 173, 174, 224, 225,
 igr2= 246, 247,
 &end
#
#   17 LEU  HG           16 GLU  HB-         5.50    (#   1050:25  Unique         3.28, 4.22 A)
 &rst
  ixpk= 1050, nxpk= 25, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 246, 247,
 &end
#
#    0 AMB  25-2:1051     0 AMB  25-1:1051   4.50    (#   1051:25  Double Ambig)
 &rst
  ixpk= 1051, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 259,1400,
 igr2= 754, 755,1408,1409,
 &end
#
#   17 LEU  HB+          49 LYS  QD          5.50    (#   1053:25  Unique         3.56, 5.74 A)
 &rst
  ixpk= 1053, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 261, 262,
 igr2= 754, 755,
 &end
#
#   17 LEU  HB-          49 LYS  QD          5.50    (#   1054:25  Unique         3.56, 5.74 A)
 &rst
  ixpk= 1054, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 261, 262,
 igr2= 754, 755,
 &end
#
#    0 AMB  25-2:1056    51 VAL  HA          4.50    (#   1056:25  Single Ambig)
 &rst
  ixpk= 1056, nxpk= 25, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 805, 806, 802, 803,
 &end
#
#   51 VAL  HB           51 VAL  HA          4.50    (#   1057:25  Unique         3.02, 3.04 A)
 &rst
  ixpk= 1057, nxpk= 25, iat= 786, 784, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1058    51 VAL  HA          2.50    (#   1058:25  Single Ambig)
 &rst
  ixpk= 1058, nxpk= 25, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 788, 789, 790, 792, 793, 794, 772, 773, 774, 776,
       777, 778,
 &end
#
#   51 VAL  MGX          51 VAL  HA          3.50    (#   1059:25  Unique         2.46, 3.17 A)
 &rst
  ixpk= 1059, nxpk= 25, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#  105 GLN  HA          112 LYS  QD          7.00    (#   1060:25  Unique         4.86, 7.06 A)
 &rst
  ixpk= 1060, nxpk= 25, iat=1599,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1690,1691,
 &end
#
#  112 LYS  HA          112 LYS  QD          4.50    (#   1061:25  Unique         2.37, 4.36 A)
 &rst
  ixpk= 1061, nxpk= 25, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1690,1691,
 &end
#
#    0 AMB  25-2:1062     0 AMB  25-1:1062   2.50    (#   1062:25  Double Ambig)
 &rst
  ixpk= 1062, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=1687,1688,  49,  50,
 igr2=1690,1691,  52,  53,
 &end
#
#    0 AMB  25-2:1063    94 LYS  HD-         5.50    (#   1063:25  Single Ambig)
 &rst
  ixpk= 1063, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1496,1497,1387,1388,1563,1564,
 igr2=1408,1409,
 &end
#
#   94 LYS  HB+          94 LYS  HD-         4.50    (#   1064:25  Unique         2.41, 3.26 A)
 &rst
  ixpk= 1064, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1402,1403,
 igr2=1408,1409,
 &end
#
#   85 ILE  MG2          94 LYS  HD-         3.50    (#   1065:25  Unique         2.75, 3.52 A)
 &rst
  ixpk= 1065, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1287,1288,1289,
 igr2=1408,1409,
 &end
#
#    0 AMB  25-2:1066     0 AMB  25-1:1066   5.50    (#   1066:25  Double Ambig)
 &rst
  ixpk= 1066, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1496,1497,1387,1388,1563,1564,
 igr2=1408,1409,1408,1409,1408,1409,
 &end
#
#   94 LYS  HB+          94 LYS  HD+         4.50    (#   1067:25  Unique         2.41, 3.26 A)
 &rst
  ixpk= 1067, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1402,1403,
 igr2=1408,1409,
 &end
#
#   90 THR  MG2          94 LYS  HD+         4.50    (#   1068:25  Unique         2.40, 3.54 A)
 &rst
  ixpk= 1068, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1343,1344,1345,
 igr2=1408,1409,
 &end
#
#    0 AMB  25-2:1070     0 AMB  25-1:1070   4.50    (#   1070:25  Double Ambig)
 &rst
  ixpk= 1070, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
      1573,1574,
 igr2=1408,1409,1408,1409,
 &end
#
#    0 AMB  25-2:1071     0 AMB  25-1:1071   4.50    (#   1071:25  Double Ambig)
 &rst
  ixpk= 1071, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.81, r4=11.31,
 igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
      1521,1522,1357,1358,1359,1361,1362,1363,1357,1358,
      1359,1361,1362,1363,
 igr2=1408,1409,1408,1409,1408,1409,1408,1409,
 &end
#
#   94 LYS  HA           94 LYS  HD+         5.50    (#   1072:25  Unique         4.60, 4.71 A)
 &rst
  ixpk= 1072, nxpk= 25, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1408,1409,
 &end
#
#    0 AMB  25-2:1073     0 AMB  25-1:1073   3.50    (#   1073:25  Double Ambig)
 &rst
  ixpk= 1073, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1411,1412,1411,1412,
 igr2=1408,1409,1408,1409,
 &end
#
#   83 LYS  QE           83 LYS  QD          2.50    (#   1075:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 1075, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1255,1256,
 igr2=1252,1253,
 &end
#
#   83 LYS  QB           83 LYS  QD          2.50    (#   1076:25  Unique         2.39, 3.02 A)
 &rst
  ixpk= 1076, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1246,1247,
 igr2=1252,1253,
 &end
#
#   85 ILE  MD1          83 LYS  QD          5.50    (#   1077:25  Unique         2.99, 5.02 A)
 &rst
  ixpk= 1077, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1294,1295,1296,
 igr2=1252,1253,
 &end
#
#    0 AMB  25-2:1078    28 LYS  QG          4.50    (#   1078:25  Single Ambig)
 &rst
  ixpk= 1078, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 421, 422, 817, 818,
 igr2= 418, 419,
 &end
#
#   85 ILE  MG2          94 LYS  HD+         3.50    (#   1079:25  Unique         2.75, 3.52 A)
 &rst
  ixpk= 1079, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1287,1288,1289,
 igr2=1408,1409,
 &end
#
#   20 SER  HB-          20 SER  HA          2.50    (#   1080:25  Unique         2.40, 2.70 A)
 &rst
  ixpk= 1080, nxpk= 25, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 301, 302,
 &end
#
#   34 CYS  HA           34 CYS  HB+         5.50    (#   1083:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 1083, nxpk= 25, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 510, 511,
 &end
#
#   34 CYS  HA           34 CYS  HB-         4.50    (#   1086:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 1086, nxpk= 25, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 510, 511,
 &end
#
#   31 CYS  HB+          34 CYS  HB+         5.50    (#   1091:25  Unique         2.14, 3.89 A)
 &rst
  ixpk= 1091, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 473, 472,
 igr2= 510, 511,
 &end
#
#    0 AMB  25-2:1092    38 LYS  HA          5.50    (#   1092:25  Single Ambig)
 &rst
  ixpk= 1092, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 561, 562, 563, 565, 566, 567, 772, 773, 774, 776,
       777, 778,
 &end
#
#   38 LYS  HD-          38 LYS  HA          5.50    (#   1093:25  Unique         4.40, 4.73 A)
 &rst
  ixpk= 1093, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 581, 582,
 &end
#
#    0 AMB  25-2:1094    38 LYS  HA          4.50    (#   1094:25  Single Ambig)
 &rst
  ixpk= 1094, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 633, 634, 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  25-2:1100     0 AMB  25-1:1100   2.50    (#   1100:25  Double Ambig)
 &rst
  ixpk= 1100, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 669, 670,1444,1445,
 igr2= 666, 667,1441,1442,
 &end
#
#   40 LEU  MDY          43 GLN  QB          5.50    (#   1101:25  Unique         3.55, 6.81 A)
 &rst
  ixpk= 1101, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2= 666, 667,
 &end
#
#    0 AMB  25-2:1102    43 GLN  QB          4.50    (#   1102:25  Single Ambig)
 &rst
  ixpk= 1102, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 685, 686, 687, 689, 690, 691, 685, 686, 687, 689,
       690, 691,
 igr2= 666, 667,
 &end
#
#    0 AMB  25-2:1103     0 AMB  25-1:1103   2.50    (#   1103:25  Double Ambig)
 &rst
  ixpk= 1103, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 664,1385, 612,
 igr2= 666, 667,1441,1442,
 &end
#
#   97 ARG  HG+          96 GLN  HB+         5.50    (#   1104:25  Unique         3.20, 4.80 A)
 &rst
  ixpk= 1104, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1461,1462,
 igr2=1441,1442,
 &end
#
#   40 LEU  MDX          43 GLN  QB          5.50    (#   1105:25  Unique         3.55, 6.81 A)
 &rst
  ixpk= 1105, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2= 666, 667,
 &end
#
#    0 AMB  25-2:1106     0 AMB  25-1:1106   3.50    (#   1106:25  Double Ambig)
 &rst
  ixpk= 1106, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 974, 912, 913,
 igr2= 959, 960, 959, 960,
 &end
#
#   66 LEU  HB-          63 GLN  HB+         5.50    (#   1107:25  Unique         4.57, 5.81 A)
 &rst
  ixpk= 1107, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 997, 998,
 igr2= 959, 960,
 &end
#
#    0 AMB  25-2:1108     0 AMB  25-1:1108   4.50    (#   1108:25  Double Ambig)
 &rst
  ixpk= 1108, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1135,1136,1137,1139,1140,1141, 945, 946, 947, 949,
       950, 951,
 igr2= 959, 960, 959, 960,
 &end
#
#    0 AMB  25-2:1109     0 AMB  25-1:1109   4.50    (#   1109:25  Double Ambig)
 &rst
  ixpk= 1109, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 822, 823, 824, 826, 827, 828,1766,1767,1768,1770,
      1771,1772,
 igr2= 959, 960,1601,1602,
 &end
#
#    0 AMB  25-2:1110   102 PRO  HG-         4.50    (#   1110:25  Single Ambig)
 &rst
  ixpk= 1110, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1494,1555,
 igr2=1549,1550,
 &end
#
#  102 PRO  HD-         102 PRO  HG-         3.50    (#   1111:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1111, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1546,1547,
 igr2=1549,1550,
 &end
#
#  102 PRO  HD+         102 PRO  HG-         3.50    (#   1112:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1112, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1546,1547,
 igr2=1549,1550,
 &end
#
#  102 PRO  HB-         102 PRO  HG-         2.50    (#   1113:25  Unique         2.35, 2.62 A)
 &rst
  ixpk= 1113, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1552,1553,
 igr2=1549,1550,
 &end
#
#    0 AMB  25-2:1114   102 PRO  HG-         4.50    (#   1114:25  Single Ambig)
 &rst
  ixpk= 1114, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1761,1762,1764,
 igr2=1549,1550,
 &end
#
#  101 LEU  MDY         102 PRO  HG-         5.50    (#   1115:25  Unique         3.65, 7.14 A)
 &rst
  ixpk= 1115, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1535,1536,1537,1539,1540,1541,
 igr2=1549,1550,
 &end
#
#   39 GLN  HA           39 GLN  QB          3.50    (#   1116:25  Unique         2.45, 2.78 A)
 &rst
  ixpk= 1116, nxpk= 25, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 597, 598,
 &end
#
#    0 AMB  25-2:1117    39 GLN  QB          5.50    (#   1117:25  Single Ambig)
 &rst
  ixpk= 1117, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 654, 655, 656, 619, 620, 621, 623, 624, 625,
 igr2= 597, 598,
 &end
#
#  105 GLN  HG-         105 GLN  HB-         2.50    (#   1118:25  Unique         2.25, 2.70 A)
 &rst
  ixpk= 1118, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1604,1605,
 igr2=1601,1602,
 &end
#
#    0 AMB  25-2:1119   105 GLN  HB-         3.50    (#   1119:25  Single Ambig)
 &rst
  ixpk= 1119, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1742,1555,
 igr2=1601,1602,
 &end
#
#  105 GLN  HA          105 GLN  HB-         2.50    (#   1120:25  Unique         2.46, 2.80 A)
 &rst
  ixpk= 1120, nxpk= 25, iat=1599,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=1601,1602,
 &end
#
#    0 AMB  25-2:1122     5 GLN  HB-         4.50    (#   1122:25  Single Ambig)
 &rst
  ixpk= 1122, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  49,  50, 131, 132, 133,
 igr2=  68,  69,
 &end
#
#    0 AMB  25-2:1123     0 AMB  25-1:1123   3.50    (#   1123:25  Double Ambig)
 &rst
  ixpk= 1123, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1494,1555,
 igr2=1549,1550,1549,1550,
 &end
#
#  102 PRO  HD-         102 PRO  HG+         4.50    (#   1124:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1124, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1546,1547,
 igr2=1549,1550,
 &end
#
#  102 PRO  HD+         102 PRO  HG+         4.50    (#   1125:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1125, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1546,1547,
 igr2=1549,1550,
 &end
#
#  102 PRO  HB-         102 PRO  HG+         2.50    (#   1126:25  Unique         2.35, 2.62 A)
 &rst
  ixpk= 1126, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1552,1553,
 igr2=1549,1550,
 &end
#
#  117 LEU  MDX         102 PRO  HG+         5.50    (#   1127:25  Unique         2.31, 5.72 A)
 &rst
  ixpk= 1127, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1766,1767,1768,1770,1771,1772,
 igr2=1549,1550,
 &end
#
#   31 CYS  HB+          31 CYS  HA          4.50    (#   1128:25  Unique         2.27, 2.71 A)
 &rst
  ixpk= 1128, nxpk= 25, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 473, 472,
 &end
#
#   31 CYS  HB-          31 CYS  HA          4.50    (#   1129:25  Unique         2.27, 2.71 A)
 &rst
  ixpk= 1129, nxpk= 25, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 473, 472,
 &end
#
#   66 LEU  HB-          63 GLN  HA          4.50    (#   1130:25  Unique         2.09, 3.22 A)
 &rst
  ixpk= 1130, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 997, 998,
 &end
#
#   53 LEU  MDY          63 GLN  HA          4.50    (#   1131:25  Unique         2.44, 4.28 A)
 &rst
  ixpk= 1131, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   66 LEU  MDY          63 GLN  HA          4.50    (#   1132:25  Unique         3.16, 5.33 A)
 &rst
  ixpk= 1132, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   38 LYS  HB+          38 LYS  HA          3.50    (#   1133:25  Unique         2.44, 2.79 A)
 &rst
  ixpk= 1133, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 575, 576,
 &end
#
#   38 LYS  HB-          38 LYS  HA          4.50    (#   1134:25  Unique         2.44, 2.79 A)
 &rst
  ixpk= 1134, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 575, 576,
 &end
#
#   38 LYS  HG-          38 LYS  HA          3.50    (#   1135:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 1135, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 578, 579,
 &end
#
#   38 LYS  HG+          38 LYS  HA          4.50    (#   1136:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 1136, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 578, 579,
 &end
#
#   41 LEU  MDY          38 LYS  HA          4.50    (#   1137:25  Unique         2.92, 5.22 A)
 &rst
  ixpk= 1137, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   96 GLN  HA           96 GLN  HB+         3.50    (#   1141:25  Unique         2.35, 2.75 A)
 &rst
  ixpk= 1141, nxpk= 25, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1441,1442,
 &end
#
#   62 LEU  MDX          61 GLN  HB+         5.50    (#   1142:25  Unique         2.66, 6.67 A)
 &rst
  ixpk= 1142, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2= 923, 924,
 &end
#
#   53 LEU  HB-          63 GLN  HB+         5.50    (#   1143:25  Unique         2.87, 4.60 A)
 &rst
  ixpk= 1143, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 817, 818,
 igr2= 959, 960,
 &end
#
#    0 AMB  25-2:1144    22 PRO  HG-         3.50    (#   1144:25  Single Ambig)
 &rst
  ixpk= 1144, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 319, 320, 319, 320, 716, 717, 716, 717,
 igr2= 322, 323,
 &end
#
#    0 AMB  25-2:1145    22 PRO  HG-         4.50    (#   1145:25  Single Ambig)
 &rst
  ixpk= 1145, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1650,1651,1652,1640,1641,1642,1630,1631,1632,
 igr2= 322, 323,
 &end
#
#   21 ALA  MB           22 PRO  HG-         5.50    (#   1146:25  Unique         3.82, 5.27 A)
 &rst
  ixpk= 1146, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 312, 313, 314,
 igr2= 322, 323,
 &end
#
#    0 AMB  25-2:1147     0 AMB  25-1:1147   2.50    (#   1147:25  Double Ambig)
 &rst
  ixpk= 1147, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1599,1385,
 igr2=1601,1602,1441,1442,
 &end
#
#   96 GLN  HA           96 GLN  HB-         2.50    (#   1148:25  Unique         2.35, 2.75 A)
 &rst
  ixpk= 1148, nxpk= 25, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=1441,1442,
 &end
#
#   96 GLN  HG-          96 GLN  HB-         3.50    (#   1149:25  Unique         2.31, 2.70 A)
 &rst
  ixpk= 1149, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1444,1445,
 igr2=1441,1442,
 &end
#
#    0 AMB  25-2:1151     0 AMB  25-1:1151   3.50    (#   1151:25  Double Ambig)
 &rst
  ixpk= 1151, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 319, 320, 319, 320, 716, 717,
 igr2= 322, 323, 322, 323, 322, 323,
 &end
#
#   61 GLN  HA           61 GLN  HB-         3.50    (#   1152:25  Unique         2.35, 2.72 A)
 &rst
  ixpk= 1152, nxpk= 25, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 923, 924,
 &end
#
#   97 ARG  HA           97 ARG  HG-         4.50    (#   1153:25  Unique         2.30, 2.88 A)
 &rst
  ixpk= 1153, nxpk= 25, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1461,1462,
 &end
#
#    0 AMB  25-2:1154    97 ARG  HG-         2.50    (#   1154:25  Single Ambig)
 &rst
  ixpk= 1154, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1458,1459,1496,1497,
 igr2=1461,1462,
 &end
#
#   96 GLN  HB+          97 ARG  HG-         4.50    (#   1155:25  Unique         3.20, 4.80 A)
 &rst
  ixpk= 1155, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1441,1442,
 igr2=1461,1462,
 &end
#
#  101 LEU  HA          101 LEU  HG          4.50    (#   1156:25  Unique         2.32, 3.25 A)
 &rst
  ixpk= 1156, nxpk= 25, iat=1528,1533, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  102 PRO  HD-         101 LEU  HG          5.50    (#   1157:25  Unique         2.93, 4.48 A)
 &rst
  ixpk= 1157, nxpk= 25, iat=  -1,1533, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1546,1547,
 &end
#
#    0 AMB  25-2:1158   101 LEU  HG          4.50    (#   1158:25  Single Ambig)
 &rst
  ixpk= 1158, nxpk= 25, iat=  -1,1533, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 683,1604,1605,1604,1605,
 &end
#
#  101 LEU  MDX         101 LEU  HG          2.50    (#   1159:25  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1159, nxpk= 25, iat=  -1,1533, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#  102 PRO  HD+         101 LEU  HG          5.50    (#   1160:25  Unique         2.93, 4.48 A)
 &rst
  ixpk= 1160, nxpk= 25, iat=  -1,1533, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1546,1547,
 &end
#
#   32 GLY  QA           31 CYS  HA          4.50    (#   1162:25  Unique         4.31, 4.39 A)
 &rst
  ixpk= 1162, nxpk= 25, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 480, 481,
 &end
#
#  102 PRO  HD-         101 LEU  HA          5.50    (#   1163:25  Unique         3.98, 4.14 A)
 &rst
  ixpk= 1163, nxpk= 25, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1546,1547,
 &end
#
#    0 AMB  25-2:1164   101 LEU  HA          2.50    (#   1164:25  Single Ambig)
 &rst
  ixpk= 1164, nxpk= 25, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=1587,1588,1589,1591,1592,1593,1533,1530,1531,
 &end
#
#  101 LEU  MDX         101 LEU  HA          2.50    (#   1165:25  Unique         2.12, 3.61 A)
 &rst
  ixpk= 1165, nxpk= 25, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:1166   101 LEU  HA          3.50    (#   1166:25  Single Ambig)
 &rst
  ixpk= 1166, nxpk= 25, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1587,1588,1589,1591,1592,1593,1585,
 &end
#
#    0 AMB  25-2:1167    63 GLN  HA          2.50    (#   1167:25  Single Ambig)
 &rst
  ixpk= 1167, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 959, 960, 820,
 &end
#
#    0 AMB  25-2:1168    63 GLN  HA          4.50    (#   1168:25  Single Ambig)
 &rst
  ixpk= 1168, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1016,1017,1018, 987, 988, 989,
 &end
#
#    0 AMB  25-2:1169    15 LYS  HA          5.50    (#   1169:25  Single Ambig)
 &rst
  ixpk= 1169, nxpk= 25, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 212, 244,
 &end
#
#   18 ALA  MB           15 LYS  HA          3.50    (#   1170:25  Unique         2.31, 3.30 A)
 &rst
  ixpk= 1170, nxpk= 25, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 280, 281, 282,
 &end
#
#   15 LYS  HG+          15 LYS  HA          3.50    (#   1171:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 1171, nxpk= 25, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 227, 228,
 &end
#
#   10 ALA  MB           61 GLN  HB+         4.50    (#   1172:25  Unique         2.31, 3.77 A)
 &rst
  ixpk= 1172, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 141, 142, 143,
 igr2= 923, 924,
 &end
#
#    0 AMB  25-2:1173    61 GLN  HB-         5.50    (#   1173:25  Single Ambig)
 &rst
  ixpk= 1173, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 976, 977, 910,
 igr2= 923, 924,
 &end
#
#   10 ALA  MB           61 GLN  HB-         3.50    (#   1174:25  Unique         2.31, 3.77 A)
 &rst
  ixpk= 1174, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 141, 142, 143,
 igr2= 923, 924,
 &end
#
#    0 AMB  25-2:1175    61 GLN  HB-         3.50    (#   1175:25  Single Ambig)
 &rst
  ixpk= 1175, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 893, 894, 926, 927,
 igr2= 923, 924,
 &end
#
#   97 ARG  QD           97 ARG  HG-         3.50    (#   1176:25  Unique         2.41, 2.65 A)
 &rst
  ixpk= 1176, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1464,1465,
 igr2=1461,1462,
 &end
#
#   97 ARG  HA           97 ARG  HG+         3.50    (#   1179:25  Unique         2.30, 2.88 A)
 &rst
  ixpk= 1179, nxpk= 25, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1461,1462,
 &end
#
#    0 AMB  25-2:1180     0 AMB  25-1:1180   2.50    (#   1180:25  Double Ambig)
 &rst
  ixpk= 1180, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 541, 542,1464,1465,
 igr2= 538, 539,1461,1462,
 &end
#
#    0 AMB  25-2:1181     0 AMB  25-1:1181   2.50    (#   1181:25  Double Ambig)
 &rst
  ixpk= 1181, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=1458,1459,1496,1497,
 igr2=1461,1462,1461,1462,
 &end
#
#    0 AMB  25-2:1184     0 AMB  25-1:1184   4.50    (#   1184:25  Double Ambig)
 &rst
  ixpk= 1184, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 338, 339, 340, 342, 343, 344,1215,1216,1217,
 igr2=1219,1220,1219,1220,
 &end
#
#    0 AMB  25-2:1185     0 AMB  25-1:1185   3.50    (#   1185:25  Double Ambig)
 &rst
  ixpk= 1185, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1222,1223,1224,1179,1180,1181,1183,1184,1185,1587,
      1588,1589,1591,1592,1593,
 igr2=1219,1220,1219,1220,1219,1220,
 &end
#
#    0 AMB  25-2:1186     0 AMB  25-1:1186   5.50    (#   1186:25  Double Ambig)
 &rst
  ixpk= 1186, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
      1184,1185,
 igr2=1219,1220,1219,1220,
 &end
#
#   36 ARG  HD-          36 ARG  HA          4.50    (#   1188:25  Unique         2.16, 4.50 A)
 &rst
  ixpk= 1188, nxpk= 25, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 541, 542,
 &end
#
#   99 GLU  HB-          94 LYS  HA          3.50    (#   1189:25  Unique         2.55, 3.33 A)
 &rst
  ixpk= 1189, nxpk= 25, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1496,1497,
 &end
#
#    0 AMB  25-2:1190    94 LYS  HA          2.50    (#   1190:25  Single Ambig)
 &rst
  ixpk= 1190, nxpk= 25, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1461,1462,1405,1406,
 &end
#
#   94 LYS  HB-          94 LYS  HA          3.50    (#   1191:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 1191, nxpk= 25, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1402,1403,
 &end
#
#    0 AMB  25-2:1192    12 LYS  HA          4.50    (#   1192:25  Single Ambig)
 &rst
  ixpk= 1192, nxpk= 25, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 190, 129,
 &end
#
#    0 AMB  25-2:1193    12 LYS  HA          4.50    (#   1193:25  Single Ambig)
 &rst
  ixpk= 1193, nxpk= 25, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 149, 244, 212,
 &end
#
#   12 LYS  QB           12 LYS  HA          2.50    (#   1194:25  Unique         2.44, 2.78 A)
 &rst
  ixpk= 1194, nxpk= 25, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 170, 171,
 &end
#
#    0 AMB  25-2:1195    12 LYS  HA          4.50    (#   1195:25  Single Ambig)
 &rst
  ixpk= 1195, nxpk= 25, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 176, 177, 233, 234,
 &end
#
#   12 LYS  HG-          12 LYS  HA          4.50    (#   1196:25  Unique         2.44, 2.78 A)
 &rst
  ixpk= 1196, nxpk= 25, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 173, 174,
 &end
#
#    0 AMB  25-2:1197    12 LYS  HA          3.50    (#   1197:25  Single Ambig)
 &rst
  ixpk= 1197, nxpk= 25, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 173, 174, 224, 225, 154,
 &end
#
#   15 LYS  QB           15 LYS  HA          3.50    (#   1198:25  Unique         2.38, 2.78 A)
 &rst
  ixpk= 1198, nxpk= 25, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 224, 225,
 &end
#
#   15 LYS  HG-          15 LYS  HA          4.50    (#   1199:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 1199, nxpk= 25, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 227, 228,
 &end
#
#   36 ARG  HD+          36 ARG  HG+         3.50    (#   1201:25  Unique         2.33, 2.70 A)
 &rst
  ixpk= 1201, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 541, 542,
 igr2= 538, 539,
 &end
#
#   36 ARG  HB-          36 ARG  HG+         3.50    (#   1202:25  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1202, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 535, 536,
 igr2= 538, 539,
 &end
#
#   72 ARG  HD+          72 ARG  HG+         4.50    (#   1203:25  Unique         2.33, 2.73 A)
 &rst
  ixpk= 1203, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1094,1095,
 igr2=1091,1092,
 &end
#
#    0 AMB  25-2:1204    40 LEU  MDY         3.50    (#   1204:25  Single Ambig)
 &rst
  ixpk= 1204, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,1516,1517,1518,1520,1521,1522,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   68 HIS  HB-          68 HIS  HA          2.50    (#   1206:25  Unique         2.29, 2.66 A)
 &rst
  ixpk= 1206, nxpk= 25, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1026,1027,
 &end
#
#   67 ALA  MB           68 HIS  HA          4.50    (#   1207:25  Unique         4.20, 4.88 A)
 &rst
  ixpk= 1207, nxpk= 25, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1016,1017,1018,
 &end
#
#   85 ILE  HG1+         85 ILE  HA          4.50    (#   1208:25  Unique         2.54, 3.50 A)
 &rst
  ixpk= 1208, nxpk= 25, iat=  -1,1283, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1291,1292,
 &end
#
#   61 GLN  HG-          61 GLN  HA          3.50    (#   1209:25  Unique         2.36, 2.93 A)
 &rst
  ixpk= 1209, nxpk= 25, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 926, 927,
 &end
#
#    0 AMB  25-2:1210     0 AMB  25-1:1210   3.50    (#   1210:25  Double Ambig)
 &rst
  ixpk= 1210, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1373,1374,1375,1377,1378,1379, 264,
 igr2=1385, 190,
 &end
#
#    0 AMB  25-2:1211     0 AMB  25-1:1211   2.50    (#   1211:25  Double Ambig)
 &rst
  ixpk= 1211, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 535, 536,1387,1388, 597, 598,1441,1442,
 igr2= 533,1385,
 &end
#
#    0 AMB  25-2:1212     0 AMB  25-1:1212   3.50    (#   1212:25  Double Ambig)
 &rst
  ixpk= 1212, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 669, 670, 600, 601,
 igr2= 664, 533,
 &end
#
#    0 AMB  25-2:1213    43 GLN  HA          2.50    (#   1213:25  Single Ambig)
 &rst
  ixpk= 1213, nxpk= 25, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 666, 667, 669, 670,
 &end
#
#   42 THR  MG2          43 GLN  HA          3.50    (#   1214:25  Unique         3.57, 4.67 A)
 &rst
  ixpk= 1214, nxpk= 25, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 654, 655, 656,
 &end
#
#    0 AMB  25-2:1215    16 GLU  HA          4.50    (#   1215:25  Single Ambig)
 &rst
  ixpk= 1215, nxpk= 25, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 224, 225, 173, 174,
 &end
#
#   53 LEU  MDX          53 LEU  HG          4.50    (#   1216:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 1216, nxpk= 25, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1217    53 LEU  HG          3.50    (#   1217:25  Single Ambig)
 &rst
  ixpk= 1217, nxpk= 25, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 822, 823, 824, 826, 827, 828, 868, 869, 870, 872,
       873, 874, 788, 789, 790, 792, 793, 794,
 &end
#
#  114 PRO  HA          114 PRO  QG          4.50    (#   1218:25  Unique         2.78, 3.70 A)
 &rst
  ixpk= 1218, nxpk= 25, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1720,1721,
 &end
#
#  114 PRO  HD-         114 PRO  QG          2.50    (#   1219:25  Unique         2.29, 2.61 A)
 &rst
  ixpk= 1219, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1717,1718,
 igr2=1720,1721,
 &end
#
#  114 PRO  HB-         114 PRO  QG          2.50    (#   1220:25  Unique         2.36, 2.63 A)
 &rst
  ixpk= 1220, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1723,1724,
 igr2=1720,1721,
 &end
#
#   62 LEU  HA           62 LEU  MDX         4.50    (#   1222:25  Unique         2.12, 3.20 A)
 &rst
  ixpk= 1222, nxpk= 25, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   62 LEU  HB-          62 LEU  MDX         4.50    (#   1223:25  Unique         2.37, 3.55 A)
 &rst
  ixpk= 1223, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 940, 941,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:1224     0 AMB  25-1:1224   4.50    (#   1224:25  Double Ambig)
 &rst
  ixpk= 1224, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 533,1067,
 igr2= 538, 539,1268,1269,
 &end
#
#   36 ARG  HB+          36 ARG  HG+         3.50    (#   1225:25  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1225, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 535, 536,
 igr2= 538, 539,
 &end
#
#   36 ARG  HA           36 ARG  HG-         3.50    (#   1227:25  Unique         2.44, 2.77 A)
 &rst
  ixpk= 1227, nxpk= 25, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 538, 539,
 &end
#
#   36 ARG  HB+          36 ARG  HG-         4.50    (#   1228:25  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1228, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 535, 536,
 igr2= 538, 539,
 &end
#
#    0 AMB  25-2:1229   100 LEU  HG          5.50    (#   1229:25  Single Ambig)
 &rst
  ixpk= 1229, nxpk= 25, iat=  -1,1514, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1411,1412,1411,1412,
 &end
#
#  100 LEU  HA          100 LEU  HG          5.50    (#   1230:25  Unique         2.72, 3.05 A)
 &rst
  ixpk= 1230, nxpk= 25, iat=1509,1514, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100 LEU  HB+         100 LEU  HG          5.50    (#   1231:25  Unique         2.34, 2.78 A)
 &rst
  ixpk= 1231, nxpk= 25, iat=  -1,1514, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1511,1512,
 &end
#
#    0 AMB  25-2:1232   100 LEU  HG          2.50    (#   1232:25  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 25, iat=  -1,1514, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   15 LYS  QD           11 LEU  HG          5.50    (#   1233:25  Unique         3.10, 4.86 A)
 &rst
  ixpk= 1233, nxpk= 25, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 230, 231,
 &end
#
#   72 ARG  HD+          72 ARG  HG-         5.50    (#   1234:25  Unique         2.33, 2.73 A)
 &rst
  ixpk= 1234, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1094,1095,
 igr2=1091,1092,
 &end
#
#   72 ARG  HD-          72 ARG  HG-         4.50    (#   1235:25  Unique         2.33, 2.73 A)
 &rst
  ixpk= 1235, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1094,1095,
 igr2=1091,1092,
 &end
#
#   40 LEU  HA           40 LEU  MDY         4.50    (#   1236:25  Unique         2.27, 3.93 A)
 &rst
  ixpk= 1236, nxpk= 25, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:1237    40 LEU  MDY         2.50    (#   1237:25  Single Ambig)
 &rst
  ixpk= 1237, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 614, 615, 636,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:1238    85 ILE  HA          4.50    (#   1238:25  Single Ambig)
 &rst
  ixpk= 1238, nxpk= 25, iat=  -1,1283, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1266,1411,1412,
 &end
#
#    0 AMB  25-2:1239    85 ILE  HA          3.50    (#   1239:25  Single Ambig)
 &rst
  ixpk= 1239, nxpk= 25, iat=  -1,1283, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1291,1292,1285,
 &end
#
#    0 AMB  25-2:1240    85 ILE  HA          5.50    (#   1240:25  Single Ambig)
 &rst
  ixpk= 1240, nxpk= 25, iat=  -1,1283, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1268,1269,1343,1344,1345,
 &end
#
#    0 AMB  25-2:1241    85 ILE  HA          2.50    (#   1241:25  Single Ambig)
 &rst
  ixpk= 1241, nxpk= 25, iat=  -1,1283, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1294,1295,1296,1287,1288,1289,
 &end
#
#   13 LYS  HG+          13 LYS  HA          3.50    (#   1242:25  Unique         2.36, 3.07 A)
 &rst
  ixpk= 1242, nxpk= 25, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 195, 196,
 &end
#
#    0 AMB  25-2:1243     0 AMB  25-1:1243   2.50    (#   1243:25  Double Ambig)
 &rst
  ixpk= 1243, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  52,  53, 100, 101, 538, 539,
 igr2=  44, 533,
 &end
#
#   42 THR  HB           39 GLN  HA          3.50    (#   1244:25  Unique         2.25, 2.36 A)
 &rst
  ixpk= 1244, nxpk= 25, iat= 652, 595, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 GLN  HG+          39 GLN  HA          3.50    (#   1245:25  Unique         2.36, 3.01 A)
 &rst
  ixpk= 1245, nxpk= 25, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 600, 601,
 &end
#
#   39 GLN  HG-          39 GLN  HA          3.50    (#   1246:25  Unique         2.36, 3.01 A)
 &rst
  ixpk= 1246, nxpk= 25, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 600, 601,
 &end
#
#   39 GLN  QB           39 GLN  HA          2.50    (#   1247:25  Unique         2.45, 2.78 A)
 &rst
  ixpk= 1247, nxpk= 25, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 597, 598,
 &end
#
#   42 THR  MG2          39 GLN  HA          4.50    (#   1248:25  Unique         3.96, 4.58 A)
 &rst
  ixpk= 1248, nxpk= 25, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 654, 655, 656,
 &end
#
#    0 AMB  25-2:1249     0 AMB  25-1:1249   2.50    (#   1249:25  Double Ambig)
 &rst
  ixpk= 1249, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1441,1442, 249, 250, 246, 247,
 igr2=1439, 244,
 &end
#
#   88 CYS  HA           88 CYS  HB+         4.50    (#   1251:25  Unique         2.35, 2.57 A)
 &rst
  ixpk= 1251, nxpk= 25, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1318,1319,
 &end
#
#   76 PRO  QG           88 CYS  HB+         5.50    (#   1252:25  Unique         2.24, 3.46 A)
 &rst
  ixpk= 1252, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1149,1150,
 igr2=1318,1319,
 &end
#
#   37 VAL  MGY          88 CYS  HB+         5.50    (#   1253:25  Unique         2.37, 5.03 A)
 &rst
  ixpk= 1253, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2=1318,1319,
 &end
#
#   88 CYS  HA           88 CYS  HB-         4.50    (#   1255:25  Unique         2.35, 2.57 A)
 &rst
  ixpk= 1255, nxpk= 25, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1318,1319,
 &end
#
#   37 VAL  MGY          88 CYS  HB-         4.50    (#   1257:25  Unique         2.37, 5.03 A)
 &rst
  ixpk= 1257, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2=1318,1319,
 &end
#
#   33 TYR  HB-          88 CYS  HB-         5.50    (#   1258:25  Unique         2.30, 3.59 A)
 &rst
  ixpk= 1258, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 489, 490,
 igr2=1318,1319,
 &end
#
#    0 AMB  25-2:1259    88 CYS  HB-         5.50    (#   1259:25  Single Ambig)
 &rst
  ixpk= 1259, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1149,1150,1152,1153,
 igr2=1318,1319,
 &end
#
#    0 AMB  25-2:1260     0 AMB  25-1:1260   5.50    (#   1260:25  Double Ambig)
 &rst
  ixpk= 1260, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 439, 440, 441,1674,1675,1676,1734,1735,1736,
 igr2= 802, 803,1720,1721,
 &end
#
#    0 AMB  25-2:1261    17 LEU  MDY         5.50    (#   1261:25  Single Ambig)
 &rst
  ixpk= 1261, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 259, 212,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#    0 AMB  25-2:1263    62 LEU  MDX         4.50    (#   1263:25  Single Ambig)
 &rst
  ixpk= 1263, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 214, 215, 216, 141, 142, 143,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   85 ILE  HA           85 ILE  HG1-        5.50    (#   1264:25  Unique         2.54, 3.50 A)
 &rst
  ixpk= 1264, nxpk= 25, iat=1283,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1291,1292,
 &end
#
#    0 AMB  25-2:1266    85 ILE  HG1-        2.50    (#   1266:25  Single Ambig)
 &rst
  ixpk= 1266, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1222,1223,1224,1287,1288,1289,1294,1295,1296,
 igr2=1291,1292,
 &end
#
#   84 GLN  HA           84 GLN  HB+         4.50    (#   1267:25  Unique         2.35, 2.81 A)
 &rst
  ixpk= 1267, nxpk= 25, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1268,1269,
 &end
#
#    7 LEU  HA            7 LEU  HG          4.50    (#   1269:25  Unique         2.90, 3.22 A)
 &rst
  ixpk= 1269, nxpk= 25, iat=  98, 103, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1270     7 LEU  HG          2.50    (#   1270:25  Single Ambig)
 &rst
  ixpk= 1270, nxpk= 25, iat=  -1, 103, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 105, 106, 107, 109, 110, 111, 105, 106, 107, 109,
       110, 111,
 &end
#
#    0 AMB  25-2:1271     0 AMB  25-1:1271   5.50    (#   1271:25  Double Ambig)
 &rst
  ixpk= 1271, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1119, 117,
 igr2=1091,1092, 154,
 &end
#
#    0 AMB  25-2:1272    11 LEU  HG          3.50    (#   1272:25  Single Ambig)
 &rst
  ixpk= 1272, nxpk= 25, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 151, 152, 233, 234,
 &end
#
#   11 LEU  MDX          11 LEU  HG          3.50    (#   1273:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 1273, nxpk= 25, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   11 LEU  MDY          11 LEU  HG          3.50    (#   1274:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 1274, nxpk= 25, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   11 LEU  HA           11 LEU  HG          5.50    (#   1275:25  Unique         2.50, 2.78 A)
 &rst
  ixpk= 1275, nxpk= 25, iat= 149, 154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 LYS  HE-          11 LEU  HG          5.50    (#   1276:25  Unique         2.56, 3.92 A)
 &rst
  ixpk= 1276, nxpk= 25, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 233, 234,
 &end
#
#   84 GLN  HA           84 GLN  HB-         4.50    (#   1277:25  Unique         2.35, 2.81 A)
 &rst
  ixpk= 1277, nxpk= 25, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1268,1269,
 &end
#
#   70 THR  MG2          84 GLN  HB-         5.50    (#   1279:25  Unique         2.75, 4.58 A)
 &rst
  ixpk= 1279, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1069,1070,1071,
 igr2=1268,1269,
 &end
#
#    0 AMB  25-2:1281     0 AMB  25-1:1281   2.50    (#   1281:25  Double Ambig)
 &rst
  ixpk= 1281, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1222,1223,1224,1287,1288,1289,1294,1295,1296,
 igr2=1291,1292,1291,1292,1291,1292,
 &end
#
#    8 ASP  HB+           5 GLN  HA          3.50    (#   1284:25  Unique         2.27, 3.11 A)
 &rst
  ixpk= 1284, nxpk= 25, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 119, 120,
 &end
#
#    5 GLN  QG            5 GLN  HA          3.50    (#   1285:25  Unique         2.33, 3.13 A)
 &rst
  ixpk= 1285, nxpk= 25, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  71,  72,
 &end
#
#    0 AMB  25-2:1286     0 AMB  25-1:1286   2.50    (#   1286:25  Double Ambig)
 &rst
  ixpk= 1286, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=  68,  69, 997, 998,
 igr2=  66, 995,
 &end
#
#    0 AMB  25-2:1287    66 LEU  HA          3.50    (#   1287:25  Single Ambig)
 &rst
  ixpk= 1287, nxpk= 25, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1043,1044,1043,1044,
 &end
#
#   66 LEU  MDY          66 LEU  HA          4.50    (#   1288:25  Unique         2.15, 3.21 A)
 &rst
  ixpk= 1288, nxpk= 25, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1289     0 AMB  25-1:1289   2.50    (#   1289:25  Double Ambig)
 &rst
  ixpk= 1289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 246, 247,  85,  86,1601,1602,
 igr2= 190,  83,1599,
 &end
#
#    0 AMB  25-2:1290     0 AMB  25-1:1290   2.50    (#   1290:25  Double Ambig)
 &rst
  ixpk= 1290, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 131, 132, 133,  49,  50,
 igr2=  83,  44,
 &end
#
#    0 AMB  25-2:1291     4 LYS  HA          2.50    (#   1291:25  Single Ambig)
 &rst
  ixpk= 1291, nxpk= 25, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=  46,  47,  46,  47,
 &end
#
#    7 LEU  MDX           4 LYS  HA          3.50    (#   1292:25  Unique         3.44, 5.22 A)
 &rst
  ixpk= 1292, nxpk= 25, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#    0 AMB  25-2:1293     0 AMB  25-1:1293   5.50    (#   1293:25  Double Ambig)
 &rst
  ixpk= 1293, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1461,1462, 170, 171, 192, 193,
 igr2=1439, 244,
 &end
#
#   96 GLN  HG+          96 GLN  HA          3.50    (#   1294:25  Unique         2.42, 3.10 A)
 &rst
  ixpk= 1294, nxpk= 25, iat=  -1,1439, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1444,1445,
 &end
#
#   96 GLN  HB+          96 GLN  HA          2.50    (#   1295:25  Unique         2.35, 2.75 A)
 &rst
  ixpk= 1295, nxpk= 25, iat=  -1,1439, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1441,1442,
 &end
#
#   62 LEU  MDX          17 LEU  MDY         3.50    (#   1297:25  Unique         2.39, 5.96 A)
 &rst
  ixpk= 1297, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   11 LEU  MDX           7 LEU  HG          5.50    (#   1301:25  Unique         4.82, 6.78 A)
 &rst
  ixpk= 1301, nxpk= 25, iat=  -1, 103, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   66 LEU  HA           66 LEU  HG          5.50    (#   1302:25  Unique         3.67, 3.71 A)
 &rst
  ixpk= 1302, nxpk= 25, iat= 995,1000, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1303     0 AMB  25-1:1303   4.50    (#   1303:25  Double Ambig)
 &rst
  ixpk= 1303, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 997, 998,1402,1403,
 igr2=1000,1514,
 &end
#
#   66 LEU  MDY          66 LEU  HG          3.50    (#   1304:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 1304, nxpk= 25, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   66 LEU  MDX          66 LEU  HG          3.50    (#   1305:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 1305, nxpk= 25, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#  100 LEU  HA          104 LEU  HG          5.50    (#   1307:25  Unique         4.04, 4.16 A)
 &rst
  ixpk= 1307, nxpk= 25, iat=1509,1585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  101 LEU  HA          104 LEU  HG          4.50    (#   1308:25  Unique         3.39, 3.83 A)
 &rst
  ixpk= 1308, nxpk= 25, iat=1528,1585, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104 LEU  HA          104 LEU  HG          5.50    (#   1309:25  Unique         2.83, 2.89 A)
 &rst
  ixpk= 1309, nxpk= 25, iat=1580,1585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1310   104 LEU  HG          5.50    (#   1310:25  Single Ambig)
 &rst
  ixpk= 1310, nxpk= 25, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 683,1604,1605,1604,1605,
 &end
#
#    0 AMB  25-2:1311   104 LEU  HG          3.50    (#   1311:25  Single Ambig)
 &rst
  ixpk= 1311, nxpk= 25, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1582,1583,1563,1564,
 &end
#
#  104 LEU  MDY         104 LEU  HG          3.50    (#   1312:25  Unique         2.43, 2.66 A)
 &rst
  ixpk= 1312, nxpk= 25, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1587,1588,1589,1591,1592,1593,
 &end
#
#    0 AMB  25-2:1313   104 LEU  HG          3.50    (#   1313:25  Single Ambig)
 &rst
  ixpk= 1313, nxpk= 25, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1514,1582,1583,
 &end
#
#   46 ALA  MB          104 LEU  HG          4.50    (#   1314:25  Unique         4.59, 5.41 A)
 &rst
  ixpk= 1314, nxpk= 25, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 706, 707, 708,
 &end
#
#    0 AMB  25-2:1315   104 LEU  HG          4.50    (#   1315:25  Single Ambig)
 &rst
  ixpk= 1315, nxpk= 25, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1535,1536,1537,1539,1540,1541, 338, 339, 340, 342,
       343, 344,
 &end
#
#   41 LEU  MDX         104 LEU  HG          4.50    (#   1316:25  Unique         4.62, 6.44 A)
 &rst
  ixpk= 1316, nxpk= 25, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   66 LEU  MDX          66 LEU  HA          2.50    (#   1317:25  Unique         2.15, 3.21 A)
 &rst
  ixpk= 1317, nxpk= 25, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   96 GLN  HG-          96 GLN  HA          4.50    (#   1318:25  Unique         2.42, 3.10 A)
 &rst
  ixpk= 1318, nxpk= 25, iat=  -1,1439, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1444,1445,
 &end
#
#  103 LEU  HA          103 LEU  HG          4.50    (#   1319:25  Unique         3.22, 3.34 A)
 &rst
  ixpk= 1319, nxpk= 25, iat=1561,1566, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103 LEU  HB+         103 LEU  HG          3.50    (#   1320:25  Unique         2.31, 2.70 A)
 &rst
  ixpk= 1320, nxpk= 25, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1563,1564,
 &end
#
#    0 AMB  25-2:1321   103 LEU  HG          4.50    (#   1321:25  Single Ambig)
 &rst
  ixpk= 1321, nxpk= 25, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1563,1564,1630,1631,1632,
 &end
#
#    0 AMB  25-2:1322     0 AMB  25-1:1322   2.50    (#   1322:25  Double Ambig)
 &rst
  ixpk= 1322, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 788, 789, 790, 792, 793, 794, 868, 869, 870, 872,
       873, 874,1568,1569,1570,1572,1573,1574,1568,1569,
      1570,1572,1573,1574, 822, 823, 824, 826, 827, 828,
      
 igr2= 266, 267, 268, 270, 271, 272, 866,1566,
 &end
#
#   80 ILE  HB          103 LEU  HG          4.50    (#   1323:25  Unique         3.15, 3.51 A)
 &rst
  ixpk= 1323, nxpk= 25, iat=1213,1566, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 LEU  MDY          41 LEU  HG          3.50    (#   1324:25  Unique         2.43, 2.66 A)
 &rst
  ixpk= 1324, nxpk= 25, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1325    17 LEU  HG          5.50    (#   1325:25  Single Ambig)
 &rst
  ixpk= 1325, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 190, 301, 302,
 &end
#
#    0 AMB  25-2:1326    17 LEU  HG          3.50    (#   1326:25  Single Ambig)
 &rst
  ixpk= 1326, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 259, 212,
 &end
#
#   13 LYS  QE           17 LEU  HG          5.50    (#   1327:25  Unique         2.41, 4.52 A)
 &rst
  ixpk= 1327, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 201, 202,
 &end
#
#   49 LYS  HE-          17 LEU  HG          4.50    (#   1328:25  Unique         4.47, 5.15 A)
 &rst
  ixpk= 1328, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 757, 758,
 &end
#
#   17 LEU  HB+          17 LEU  HG          3.50    (#   1329:25  Unique         2.56, 2.82 A)
 &rst
  ixpk= 1329, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 261, 262,
 &end
#
#   17 LEU  MDY          17 LEU  HG          3.50    (#   1330:25  Unique         2.44, 2.66 A)
 &rst
  ixpk= 1330, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 266, 267, 268, 270, 271, 272,
 &end
#
#   13 LYS  HD-          17 LEU  HG          4.50    (#   1331:25  Unique         2.71, 4.69 A)
 &rst
  ixpk= 1331, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 198, 199,
 &end
#
#   13 LYS  HG-          17 LEU  HG          4.50    (#   1332:25  Unique         2.60, 3.50 A)
 &rst
  ixpk= 1332, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 195, 196,
 &end
#
#    0 AMB  25-2:1333    17 LEU  HG          5.50    (#   1333:25  Single Ambig)
 &rst
  ixpk= 1333, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 214, 215, 216, 224, 225,
 &end
#
#   13 LYS  HG+          17 LEU  HG          4.50    (#   1334:25  Unique         2.60, 3.50 A)
 &rst
  ixpk= 1334, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 195, 196,
 &end
#
#   17 LEU  HB-          17 LEU  HG          3.50    (#   1335:25  Unique         2.56, 2.82 A)
 &rst
  ixpk= 1335, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 261, 262,
 &end
#
#   51 VAL  MGX          17 LEU  HG          4.50    (#   1336:25  Unique         4.63, 5.75 A)
 &rst
  ixpk= 1336, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#   53 LEU  HB-          53 LEU  MDY         4.50    (#   1337:25  Unique         2.41, 3.35 A)
 &rst
  ixpk= 1337, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 817, 818,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   66 LEU  MDY          62 LEU  HG          5.50    (#   1338:25  Unique         4.70, 6.99 A)
 &rst
  ixpk= 1338, nxpk= 25, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   75 VAL  MGY          75 VAL  HA          2.50    (#   1339:25  Unique         2.29, 3.46 A)
 &rst
  ixpk= 1339, nxpk= 25, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1135,1136,1137,1139,1140,1141,
 &end
#
#  101 LEU  MDX         105 GLN  HA          5.50    (#   1340:25  Unique         4.61, 7.06 A)
 &rst
  ixpk= 1340, nxpk= 25, iat=  -1,1599, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#  110 THR  MG2         105 GLN  HA          4.50    (#   1341:25  Unique         2.97, 5.18 A)
 &rst
  ixpk= 1341, nxpk= 25, iat=  -1,1599, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1662,1663,1664,
 &end
#
#   43 GLN  QB           40 LEU  HA          3.50    (#   1342:25  Unique         2.62, 3.84 A)
 &rst
  ixpk= 1342, nxpk= 25, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 666, 667,
 &end
#
#    0 AMB  25-2:1343     0 AMB  25-1:1343   2.50    (#   1343:25  Double Ambig)
 &rst
  ixpk= 1343, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 614, 615, 817, 818,
 igr2= 612, 815,
 &end
#
#    0 AMB  25-2:1344     0 AMB  25-1:1344   3.50    (#   1344:25  Double Ambig)
 &rst
  ixpk= 1344, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 619, 620, 621, 623, 624, 625, 940, 941,
 igr2= 612, 938,
 &end
#
#   40 LEU  MDX          40 LEU  HA          3.50    (#   1345:25  Unique         2.27, 3.93 A)
 &rst
  ixpk= 1345, nxpk= 25, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:1346     0 AMB  25-1:1346   4.50    (#   1346:25  Double Ambig)
 &rst
  ixpk= 1346, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 617,1002,1003,1004,1006,1007,1008,
 igr2= 612, 938,
 &end
#
#   38 LYS  HD-          38 LYS  HG-         5.50    (#   1348:25  Unique         2.35, 2.61 A)
 &rst
  ixpk= 1348, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 581, 582,
 igr2= 578, 579,
 &end
#
#    0 AMB  25-2:1350    62 LEU  HG          4.50    (#   1350:25  Single Ambig)
 &rst
  ixpk= 1350, nxpk= 25, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 938, 815,
 &end
#
#    0 AMB  25-2:1351     0 AMB  25-1:1351   5.50    (#   1351:25  Double Ambig)
 &rst
  ixpk= 1351, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
 igr1= 212,1580, 957,
 igr2= 943,1516,1517,1518,1520,1521,1522,
 &end
#
#   59 GLY  HA+          62 LEU  HG          4.50    (#   1352:25  Unique         3.52, 4.92 A)
 &rst
  ixpk= 1352, nxpk= 25, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 903, 904,
 &end
#
#    0 AMB  25-2:1353   100 LEU  MDY         4.50    (#   1353:25  Single Ambig)
 &rst
  ixpk= 1353, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1411,1412,1411,1412,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#    0 AMB  25-2:1354     0 AMB  25-1:1354   3.50    (#   1354:25  Double Ambig)
 &rst
  ixpk= 1354, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 940, 941,1355,1402,1403,
 igr2= 943,1516,1517,1518,1520,1521,1522,
 &end
#
#    0 AMB  25-2:1355    62 LEU  HG          4.50    (#   1355:25  Single Ambig)
 &rst
  ixpk= 1355, nxpk= 25, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 866, 266, 267, 268, 270, 271, 272,
 &end
#
#    0 AMB  25-2:1356     0 AMB  25-1:1356   2.50    (#   1356:25  Double Ambig)
 &rst
  ixpk= 1356, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1587,1588,1589,1591,1592,1593, 945, 946, 947, 949,
       950, 951,
 igr2=1516,1517,1518,1520,1521,1522, 943,
 &end
#
#   53 LEU  MDX          62 LEU  HG          3.50    (#   1357:25  Unique         2.66, 4.83 A)
 &rst
  ixpk= 1357, nxpk= 25, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   58 ASP  HB+          62 LEU  HG          5.50    (#   1358:25  Unique         4.21, 5.90 A)
 &rst
  ixpk= 1358, nxpk= 25, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 893, 894,
 &end
#
#   44 VAL  HB          100 LEU  MDY         5.50    (#   1359:25  Unique         3.86, 7.20 A)
 &rst
  ixpk= 1359, nxpk= 25, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#    0 AMB  25-2:1360     0 AMB  25-1:1360   2.50    (#   1360:25  Double Ambig)
 &rst
  ixpk= 1360, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 940, 941,1511,1512,
 igr2= 943,1516,1517,1518,1520,1521,1522,
 &end
#
#   41 LEU  HA           41 LEU  MDY         4.50    (#   1361:25  Unique         2.15, 3.85 A)
 &rst
  ixpk= 1361, nxpk= 25, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   38 LYS  HA           41 LEU  MDY         5.50    (#   1362:25  Unique         2.92, 5.22 A)
 &rst
  ixpk= 1362, nxpk= 25, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   48 TYR  HB+          41 LEU  MDY         5.50    (#   1363:25  Unique         2.34, 4.52 A)
 &rst
  ixpk= 1363, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 727, 728,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1364    41 LEU  MDY         5.50    (#   1364:25  Single Ambig)
 &rst
  ixpk= 1364, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1355, 559, 368,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1365    41 LEU  MDY         3.50    (#   1365:25  Single Ambig)
 &rst
  ixpk= 1365, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 636, 614, 615,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1366    41 LEU  MDY         3.50    (#   1366:25  Single Ambig)
 &rst
  ixpk= 1366, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 633, 634, 706, 707, 708, 619, 620, 621, 623, 624,
       625,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1367    41 LEU  MDY         4.50    (#   1367:25  Single Ambig)
 &rst
  ixpk= 1367, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
      1184,1185,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1368    41 LEU  MDY         2.50    (#   1368:25  Single Ambig)
 &rst
  ixpk= 1368, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 561, 562, 563, 565, 566, 567, 338, 339, 340, 342,
       343, 344, 633, 634,1516,1517,1518,1520,1521,1522,
       685, 686, 687, 689, 690, 691,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1369    41 LEU  MDY         3.50    (#   1369:25  Single Ambig)
 &rst
  ixpk= 1369, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 370, 371, 372, 374, 375, 376, 619, 620, 621, 623,
       624, 625,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   77 ASN  HB+          75 VAL  HA          5.50    (#   1371:25  Unique         2.85, 3.74 A)
 &rst
  ixpk= 1371, nxpk= 25, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1163,1164,
 &end
#
#    0 AMB  25-2:1372    75 VAL  HA          5.50    (#   1372:25  Single Ambig)
 &rst
  ixpk= 1372, nxpk= 25, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1152,1153, 384, 385,1094,1095, 424, 425,
 &end
#
#   75 VAL  HB           75 VAL  HA          3.50    (#   1373:25  Unique         2.48, 2.53 A)
 &rst
  ixpk= 1373, nxpk= 25, iat=1133,1131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 GLY  HA+          53 LEU  HA          5.50    (#   1374:25  Unique         2.60, 3.58 A)
 &rst
  ixpk= 1374, nxpk= 25, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 903, 904,
 &end
#
#   53 LEU  MDX          53 LEU  HA          2.50    (#   1375:25  Unique         2.13, 3.84 A)
 &rst
  ixpk= 1375, nxpk= 25, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1376     0 AMB  25-1:1376   2.50    (#   1376:25  Double Ambig)
 &rst
  ixpk= 1376, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 945, 946, 947, 949, 950, 951, 868, 869, 870, 872,
       873, 874,
 igr2= 938, 815,
 &end
#
#   11 LEU  QB           11 LEU  HA          2.50    (#   1377:25  Unique         2.32, 2.71 A)
 &rst
  ixpk= 1377, nxpk= 25, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 151, 152,
 &end
#
#   53 LEU  HA           53 LEU  MDY         3.50    (#   1381:25  Unique         2.13, 3.84 A)
 &rst
  ixpk= 1381, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1382    53 LEU  MDY         3.50    (#   1382:25  Single Ambig)
 &rst
  ixpk= 1382, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 384, 385, 424, 425,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1383    53 LEU  MDY         2.50    (#   1383:25  Single Ambig)
 &rst
  ixpk= 1383, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 959, 960, 820,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1384    53 LEU  MDY         2.50    (#   1384:25  Single Ambig)
 &rst
  ixpk= 1384, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 817, 818, 863, 864,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   66 LEU  MDY          53 LEU  MDY         4.50    (#   1386:25  Unique         2.89, 6.42 A)
 &rst
  ixpk= 1386, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1388    56 LEU  MDY         3.50    (#   1388:25  Single Ambig)
 &rst
  ixpk= 1388, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 815, 882, 883, 784,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#    0 AMB  25-2:1389    56 LEU  MDY         3.50    (#   1389:25  Single Ambig)
 &rst
  ixpk= 1389, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 866, 266, 267, 268, 270, 271, 272,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#    0 AMB  25-2:1390    56 LEU  MDY         3.50    (#   1390:25  Single Ambig)
 &rst
  ixpk= 1390, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 863, 864, 945, 946, 947, 949, 950, 951,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#   56 LEU  HB-          56 LEU  MDY         3.50    (#   1391:25  Unique         2.40, 3.34 A)
 &rst
  ixpk= 1391, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 863, 864,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#   53 LEU  MDX          56 LEU  MDY         3.50    (#   1392:25  Unique         2.38, 6.47 A)
 &rst
  ixpk= 1392, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#   51 VAL  MGX          56 LEU  MDY         4.50    (#   1393:25  Unique         2.40, 5.66 A)
 &rst
  ixpk= 1393, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#   59 GLY  HA+          56 LEU  MDY         5.50    (#   1394:25  Unique         2.27, 5.20 A)
 &rst
  ixpk= 1394, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 903, 904,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#  100 LEU  HA          100 LEU  MDY         4.50    (#   1395:25  Unique         2.21, 3.88 A)
 &rst
  ixpk= 1395, nxpk= 25, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#   95 HIS  HB-         100 LEU  MDY         4.50    (#   1396:25  Unique         2.24, 4.97 A)
 &rst
  ixpk= 1396, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1424,1425,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#   95 HIS  HB+         100 LEU  MDY         4.50    (#   1397:25  Unique         2.24, 4.97 A)
 &rst
  ixpk= 1397, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1424,1425,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#  100 LEU  HB+         100 LEU  MDY         3.50    (#   1398:25  Unique         2.40, 3.32 A)
 &rst
  ixpk= 1398, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1511,1512,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#    0 AMB  25-2:1399   100 LEU  MDY         2.50    (#   1399:25  Single Ambig)
 &rst
  ixpk= 1399, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1514,1563,1564,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#   41 LEU  MDX         100 LEU  MDY         3.50    (#   1400:25  Unique         2.47, 6.06 A)
 &rst
  ixpk= 1400, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#   48 TYR  HB-          41 LEU  MDY         5.50    (#   1401:25  Unique         2.34, 4.52 A)
 &rst
  ixpk= 1401, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 727, 728,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   17 LEU  HB+          17 LEU  HA          4.50    (#   1402:25  Unique         2.57, 2.81 A)
 &rst
  ixpk= 1402, nxpk= 25, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   17 LEU  MDY          17 LEU  HA          4.50    (#   1403:25  Unique         2.18, 3.88 A)
 &rst
  ixpk= 1403, nxpk= 25, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 266, 267, 268, 270, 271, 272,
 &end
#
#   17 LEU  HB-          17 LEU  HA          4.50    (#   1404:25  Unique         2.57, 2.81 A)
 &rst
  ixpk= 1404, nxpk= 25, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   17 LEU  MDX          17 LEU  HA          2.50    (#   1405:25  Unique         2.18, 3.88 A)
 &rst
  ixpk= 1405, nxpk= 25, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 266, 267, 268, 270, 271, 272,
 &end
#
#   20 SER  HB+          17 LEU  HA          3.50    (#   1406:25  Unique         2.66, 3.58 A)
 &rst
  ixpk= 1406, nxpk= 25, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 301, 302,
 &end
#
#    0 AMB  25-2:1407     0 AMB  25-1:1407   2.50    (#   1407:25  Double Ambig)
 &rst
  ixpk= 1407, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 987, 988, 989,1582,1583,
 igr2= 149,1580,
 &end
#
#   49 LYS  HE+          49 LYS  HG+         5.50    (#   1409:25  Unique         2.42, 3.24 A)
 &rst
  ixpk= 1409, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 757, 758,
 igr2= 751, 752,
 &end
#
#   66 LEU  MDX          53 LEU  MDY         5.50    (#   1410:25  Unique         2.89, 6.42 A)
 &rst
  ixpk= 1410, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1411     0 AMB  25-1:1411   2.50    (#   1411:25  Double Ambig)
 &rst
  ixpk= 1411, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 233, 234, 817, 818,
 igr2= 156, 157, 158, 160, 161, 162, 822, 823, 824, 826,
       827, 828,
 &end
#
#    0 AMB  25-2:1414    56 LEU  MDY         5.50    (#   1414:25  Single Ambig)
 &rst
  ixpk= 1414, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 201, 202, 893, 894,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#  106 ASP  HB+         103 LEU  HA          3.50    (#   1417:25  Unique         2.36, 3.08 A)
 &rst
  ixpk= 1417, nxpk= 25, iat=  -1,1561, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1618,1619,
 &end
#
#    0 AMB  25-2:1418     0 AMB  25-1:1418   5.50    (#   1418:25  Double Ambig)
 &rst
  ixpk= 1418, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 117,1628,1660,1555,
 igr2= 149,1580,
 &end
#
#  104 LEU  HB+         104 LEU  HA          4.50    (#   1419:25  Unique         2.55, 2.81 A)
 &rst
  ixpk= 1419, nxpk= 25, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1582,1583,
 &end
#
#    0 AMB  25-2:1420   104 LEU  HA          2.50    (#   1420:25  Single Ambig)
 &rst
  ixpk= 1420, nxpk= 25, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1=1587,1588,1589,1591,1592,1593,1585,
 &end
#
#   41 LEU  MDY          41 LEU  HA          4.50    (#   1422:25  Unique         2.15, 3.85 A)
 &rst
  ixpk= 1422, nxpk= 25, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   41 LEU  HG           41 LEU  HA          3.50    (#   1423:25  Unique         2.61, 2.89 A)
 &rst
  ixpk= 1423, nxpk= 25, iat= 636, 631, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:1424    41 LEU  HA          3.50    (#   1424:25  Single Ambig)
 &rst
  ixpk= 1424, nxpk= 25, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 619, 620, 621, 623, 624, 625, 706, 707, 708,
 &end
#
#    0 AMB  25-2:1425    41 LEU  HA          3.50    (#   1425:25  Single Ambig)
 &rst
  ixpk= 1425, nxpk= 25, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 685, 686, 687, 689, 690, 691, 685, 686, 687, 689,
       690, 691, 633, 634,
 &end
#
#   41 LEU  MDX          41 LEU  HA          3.50    (#   1426:25  Unique         2.15, 3.85 A)
 &rst
  ixpk= 1426, nxpk= 25, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1429    94 LYS  QG          2.50    (#   1429:25  Single Ambig)
 &rst
  ixpk= 1429, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1408,1409,1402,1403,
 igr2=1405,1406,
 &end
#
#   85 ILE  MG2          94 LYS  QG          5.50    (#   1430:25  Unique         4.88, 5.74 A)
 &rst
  ixpk= 1430, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1287,1288,1289,
 igr2=1405,1406,
 &end
#
#   94 LYS  HA           94 LYS  QG          3.50    (#   1431:25  Unique         2.39, 2.71 A)
 &rst
  ixpk= 1431, nxpk= 25, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1405,1406,
 &end
#
#    0 AMB  25-2:1432    94 LYS  QG          3.50    (#   1432:25  Single Ambig)
 &rst
  ixpk= 1432, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1411,1412,1411,1412,
 igr2=1405,1406,
 &end
#
#    0 AMB  25-2:1433    94 LYS  QG          4.50    (#   1433:25  Single Ambig)
 &rst
  ixpk= 1433, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1496,1497,1387,1388,
 igr2=1405,1406,
 &end
#
#   94 LYS  HB+          94 LYS  QG          3.50    (#   1434:25  Unique         2.43, 2.78 A)
 &rst
  ixpk= 1434, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1402,1403,
 igr2=1405,1406,
 &end
#
#    0 AMB  25-2:1435    94 LYS  QG          4.50    (#   1435:25  Single Ambig)
 &rst
  ixpk= 1435, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
      1362,1363,1357,1358,1359,1361,1362,1363,
 igr2=1405,1406,
 &end
#
#   49 LYS  HE+          49 LYS  HG-         5.50    (#   1436:25  Unique         2.42, 3.24 A)
 &rst
  ixpk= 1436, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 757, 758,
 igr2= 751, 752,
 &end
#
#   51 VAL  MGX          49 LYS  HG-         5.50    (#   1437:25  Unique         2.65, 5.79 A)
 &rst
  ixpk= 1437, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 751, 752,
 &end
#
#   49 LYS  HE-          49 LYS  HG+         5.50    (#   1438:25  Unique         2.42, 3.24 A)
 &rst
  ixpk= 1438, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 757, 758,
 igr2= 751, 752,
 &end
#
#   49 LYS  QD           49 LYS  HG+         3.50    (#   1439:25  Unique         2.38, 2.77 A)
 &rst
  ixpk= 1439, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 754, 755,
 igr2= 751, 752,
 &end
#
#   24 VAL  MGX          49 LYS  HG+         5.50    (#   1440:25  Unique         2.78, 5.39 A)
 &rst
  ixpk= 1440, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 751, 752,
 &end
#
#    0 AMB  25-2:1441     0 AMB  25-1:1441   3.50    (#   1441:25  Double Ambig)
 &rst
  ixpk= 1441, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1549,1550,1563,1564,1744,1745,
 igr2=1766,1767,1768,1770,1771,1772,1568,1569,1570,1572,
      1573,1574,
 &end
#
#    0 AMB  25-2:1442   103 LEU  MDY         3.50    (#   1442:25  Single Ambig)
 &rst
  ixpk= 1442, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1294,1295,1296,1222,1223,1224,1287,1288,1289,
 igr2=1568,1569,1570,1572,1573,1574,
 &end
#
#    0 AMB  25-2:1443     0 AMB  25-1:1443   2.50    (#   1443:25  Double Ambig)
 &rst
  ixpk= 1443, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1759,1561,
 igr2=1766,1767,1768,1770,1771,1772,1568,1569,1570,1572,
      1573,1574,
 &end
#
#    0 AMB  25-2:1444     0 AMB  25-1:1444   2.50    (#   1444:25  Double Ambig)
 &rst
  ixpk= 1444, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 233, 234,1549,1550,1566, 866,
 igr2= 156, 157, 158, 160, 161, 162,1766,1767,1768,1770,
      1771,1772,1568,1569,1570,1572,1573,1574, 822, 823,
       824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1445     0 AMB  25-1:1445   3.50    (#   1445:25  Double Ambig)
 &rst
  ixpk= 1445, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 957, 149,
 igr2= 822, 823, 824, 826, 827, 828, 156, 157, 158, 160,
       161, 162,
 &end
#
#    0 AMB  25-2:1446     0 AMB  25-1:1446   5.50    (#   1446:25  Double Ambig)
 &rst
  ixpk= 1446, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 903, 904, 168,
 igr2= 822, 823, 824, 826, 827, 828, 156, 157, 158, 160,
       161, 162,
 &end
#
#    0 AMB  25-2:1447     0 AMB  25-1:1447   2.50    (#   1447:25  Double Ambig)
 &rst
  ixpk= 1447, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1043,1044, 384, 385,
 igr2= 156, 157, 158, 160, 161, 162, 822, 823, 824, 826,
       827, 828,
 &end
#
#    0 AMB  25-2:1448     0 AMB  25-1:1448   2.50    (#   1448:25  Double Ambig)
 &rst
  ixpk= 1448, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 151, 152, 863, 864,
 igr2= 156, 157, 158, 160, 161, 162, 822, 823, 824, 826,
       827, 828,
 &end
#
#    0 AMB  25-2:1449    11 LEU  MDX         2.50    (#   1449:25  Single Ambig)
 &rst
  ixpk= 1449, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 154, 173, 174, 214, 215, 216,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#    0 AMB  25-2:1452     8 ASP  HA          4.50    (#   1452:25  Single Ambig)
 &rst
  ixpk= 1452, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 129,  44,  83,
 &end
#
#    8 ASP  HB+           8 ASP  HA          3.50    (#   1453:25  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1453, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 119, 120,
 &end
#
#    8 ASP  HB-           8 ASP  HA          3.50    (#   1454:25  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1454, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 119, 120,
 &end
#
#   11 LEU  QB            8 ASP  HA          3.50    (#   1455:25  Unique         2.24, 2.92 A)
 &rst
  ixpk= 1455, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 151, 152,
 &end
#
#    0 AMB  25-2:1456     8 ASP  HA          4.50    (#   1456:25  Single Ambig)
 &rst
  ixpk= 1456, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 173, 174, 987, 988, 989,  49,  50,
 &end
#
#   11 LEU  MDX           8 ASP  HA          4.50    (#   1457:25  Unique         3.25, 4.74 A)
 &rst
  ixpk= 1457, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#  103 LEU  HB+         103 LEU  HA          3.50    (#   1458:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 1458, nxpk= 25, iat=  -1,1561, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1563,1564,
 &end
#
#    0 AMB  25-2:1459     0 AMB  25-1:1459   3.50    (#   1459:25  Double Ambig)
 &rst
  ixpk= 1459, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1566, 923, 924,
 igr2=1561,  98,
 &end
#
#    0 AMB  25-2:1460   103 LEU  HA          3.50    (#   1460:25  Single Ambig)
 &rst
  ixpk= 1460, nxpk= 25, iat=  -1,1561, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
      1573,1574,
 &end
#
#    7 LEU  QB            7 LEU  HA          2.50    (#   1461:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 1461, nxpk= 25, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 100, 101,
 &end
#
#    0 AMB  25-2:1462     7 LEU  HA          3.50    (#   1462:25  Single Ambig)
 &rst
  ixpk= 1462, nxpk= 25, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 141, 142, 143, 987, 988, 989,
 &end
#
#    7 LEU  MDY           7 LEU  HA          2.50    (#   1463:25  Unique         2.20, 3.82 A)
 &rst
  ixpk= 1463, nxpk= 25, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#   99 GLU  HB-          94 LYS  QG          4.50    (#   1468:25  Unique         3.01, 4.64 A)
 &rst
  ixpk= 1468, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1496,1497,
 igr2=1405,1406,
 &end
#
#   91 VAL  HA           94 LYS  QG          5.50    (#   1469:25  Unique         3.78, 4.53 A)
 &rst
  ixpk= 1469, nxpk= 25, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1405,1406,
 &end
#
#   13 LYS  QE           13 LYS  HG-         5.50    (#   1471:25  Unique         2.41, 3.04 A)
 &rst
  ixpk= 1471, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 201, 202,
 igr2= 195, 196,
 &end
#
#   17 LEU  MDX          13 LYS  HG-         4.50    (#   1473:25  Unique         2.40, 4.57 A)
 &rst
  ixpk= 1473, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 266, 267, 268, 270, 271, 272,
 igr2= 195, 196,
 &end
#
#   49 LYS  HE-          49 LYS  HG-         4.50    (#   1476:25  Unique         2.42, 3.24 A)
 &rst
  ixpk= 1476, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 757, 758,
 igr2= 751, 752,
 &end
#
#   49 LYS  HE+          49 LYS  HG+         5.50    (#   1480:25  Unique         2.42, 3.24 A)
 &rst
  ixpk= 1480, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 757, 758,
 igr2= 751, 752,
 &end
#
#   51 VAL  MGX          49 LYS  HG+         5.50    (#   1481:25  Unique         2.65, 5.79 A)
 &rst
  ixpk= 1481, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 751, 752,
 &end
#
#  105 GLN  HG-         117 LEU  MDX         5.50    (#   1482:25  Unique         2.36, 6.57 A)
 &rst
  ixpk= 1482, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1604,1605,
 igr2=1766,1767,1768,1770,1771,1772,
 &end
#
#   40 LEU  HA           40 LEU  HG          4.50    (#   1483:25  Unique         2.61, 2.96 A)
 &rst
  ixpk= 1483, nxpk= 25, iat= 612, 617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 LEU  HA           40 LEU  HG          4.50    (#   1484:25  Unique         4.06, 4.17 A)
 &rst
  ixpk= 1484, nxpk= 25, iat= 631, 617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92 VAL  HA           40 LEU  HG          4.50    (#   1485:25  Unique         4.52, 4.54 A)
 &rst
  ixpk= 1485, nxpk= 25, iat=1369, 617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95 HIS  HB+          40 LEU  HG          4.50    (#   1486:25  Unique         3.27, 3.86 A)
 &rst
  ixpk= 1486, nxpk= 25, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1424,1425,
 &end
#
#   43 GLN  QB           40 LEU  HG          5.50    (#   1488:25  Unique         4.36, 5.55 A)
 &rst
  ixpk= 1488, nxpk= 25, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 666, 667,
 &end
#
#    0 AMB  25-2:1489    40 LEU  HG          4.50    (#   1489:25  Single Ambig)
 &rst
  ixpk= 1489, nxpk= 25, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1355, 597, 598,
 &end
#
#   40 LEU  QB           40 LEU  HG          2.50    (#   1490:25  Unique         2.58, 2.82 A)
 &rst
  ixpk= 1490, nxpk= 25, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 614, 615,
 &end
#
#   40 LEU  MDY          40 LEU  HG          3.50    (#   1491:25  Unique         2.41, 2.65 A)
 &rst
  ixpk= 1491, nxpk= 25, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:1492    40 LEU  HG          4.50    (#   1492:25  Single Ambig)
 &rst
  ixpk= 1492, nxpk= 25, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1373,1374,1375,1377,1378,1379, 561, 562, 563, 565,
       566, 567,
 &end
#
#    0 AMB  25-2:1493    40 LEU  HG          3.50    (#   1493:25  Single Ambig)
 &rst
  ixpk= 1493, nxpk= 25, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1516,1517,1518,1520,1521,1522, 685, 686, 687, 689,
       690, 691,1357,1358,1359,1361,1362,1363,
 &end
#
#   89 ASP  HB+          89 ASP  HA          3.50    (#   1494:25  Unique         2.44, 2.75 A)
 &rst
  ixpk= 1494, nxpk= 25, iat=  -1,1327, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1329,1330,
 &end
#
#   89 ASP  HB-          89 ASP  HA          3.50    (#   1495:25  Unique         2.44, 2.75 A)
 &rst
  ixpk= 1495, nxpk= 25, iat=  -1,1327, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1329,1330,
 &end
#
#    0 AMB  25-2:1496     0 AMB  25-1:1496   2.50    (#   1496:25  Double Ambig)
 &rst
  ixpk= 1496, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1563,1564,1371,
 igr2=1509,1327,
 &end
#
#    0 AMB  25-2:1497   100 LEU  HA          3.50    (#   1497:25  Single Ambig)
 &rst
  ixpk= 1497, nxpk= 25, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1563,1564,1514,
 &end
#
#  100 LEU  HB-         100 LEU  HA          4.50    (#   1498:25  Unique         2.48, 2.79 A)
 &rst
  ixpk= 1498, nxpk= 25, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1511,1512,
 &end
#
#    0 AMB  25-2:1499     0 AMB  25-1:1499   3.50    (#   1499:25  Double Ambig)
 &rst
  ixpk= 1499, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1373,1374,1375,1377,1378,1379,1568,1569,1570,1572,
      1573,1574,
 igr2=1327,1509,
 &end
#
#  100 LEU  MDX         100 LEU  HA          3.50    (#   1500:25  Unique         2.21, 3.88 A)
 &rst
  ixpk= 1500, nxpk= 25, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1516,1517,1518,1520,1521,1522,
 &end
#
#    0 AMB  25-2:1501   100 LEU  HA          5.50    (#   1501:25  Single Ambig)
 &rst
  ixpk= 1501, nxpk= 25, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
 igr1=1587,1588,1589,1591,1592,1593,1530,1531,1291,1292,
      1533,
 &end
#
#   84 GLN  HG+          84 GLN  HA          4.50    (#   1502:25  Unique         2.29, 3.01 A)
 &rst
  ixpk= 1502, nxpk= 25, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1271,1272,
 &end
#
#   85 ILE  MD1          84 GLN  HA          5.50    (#   1503:25  Unique         3.87, 5.29 A)
 &rst
  ixpk= 1503, nxpk= 25, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1294,1295,1296,
 &end
#
#   84 GLN  HB+          84 GLN  HA          4.50    (#   1504:25  Unique         2.35, 2.81 A)
 &rst
  ixpk= 1504, nxpk= 25, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1268,1269,
 &end
#
#   84 GLN  HB-          84 GLN  HA          4.50    (#   1505:25  Unique         2.35, 2.81 A)
 &rst
  ixpk= 1505, nxpk= 25, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1268,1269,
 &end
#
#   13 LYS  HA           13 LYS  HG-         4.50    (#   1511:25  Unique         2.36, 3.07 A)
 &rst
  ixpk= 1511, nxpk= 25, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 195, 196,
 &end
#
#   12 LYS  HA           12 LYS  HG+         4.50    (#   1513:25  Unique         2.44, 2.78 A)
 &rst
  ixpk= 1513, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 173, 174,
 &end
#
#    0 AMB  25-2:1514     0 AMB  25-1:1514   3.50    (#   1514:25  Double Ambig)
 &rst
  ixpk= 1514, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1693,1694, 179, 180,
 igr2=1687,1688, 173, 174,
 &end
#
#    0 AMB  25-2:1516     0 AMB  25-1:1516   5.50    (#   1516:25  Double Ambig)
 &rst
  ixpk= 1516, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 156, 157, 158, 160, 161, 162, 105, 106, 107, 109,
       110, 111,
 igr2= 173, 174,  49,  50,
 &end
#
#   13 LYS  HA            0 AMB  25-1:1517   4.50    (#   1517:25  Single Ambig)
 &rst
  ixpk= 1517, nxpk= 25, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 195, 196, 173, 174,
 &end
#
#   12 LYS  HA           12 LYS  HG-         4.50    (#   1518:25  Unique         2.44, 2.78 A)
 &rst
  ixpk= 1518, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 173, 174,
 &end
#
#   12 LYS  QE           12 LYS  HG-         3.50    (#   1519:25  Unique         2.37, 3.05 A)
 &rst
  ixpk= 1519, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 179, 180,
 igr2= 173, 174,
 &end
#
#    0 AMB  25-2:1520     0 AMB  25-1:1520   2.50    (#   1520:25  Double Ambig)
 &rst
  ixpk= 1520, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 170, 171, 192, 193, 945, 946, 947, 949, 950, 951,
      
 igr2= 173, 174, 195, 196, 195, 196,
 &end
#
#   12 LYS  QD           12 LYS  HG-         2.50    (#   1521:25  Unique         2.37, 2.74 A)
 &rst
  ixpk= 1521, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 176, 177,
 igr2= 173, 174,
 &end
#
#   15 LYS  HG-          12 LYS  HG-         5.50    (#   1523:25  Unique         3.91, 6.46 A)
 &rst
  ixpk= 1523, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 227, 228,
 igr2= 173, 174,
 &end
#
#    0 AMB  25-2:1525    37 VAL  MGY         3.50    (#   1525:25  Single Ambig)
 &rst
  ixpk= 1525, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 508,1146,1147,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   37 VAL  HA           37 VAL  MGY         2.50    (#   1526:25  Unique         2.32, 3.13 A)
 &rst
  ixpk= 1526, nxpk= 25, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   38 LYS  HA           37 VAL  MGY         5.50    (#   1527:25  Unique         3.42, 5.59 A)
 &rst
  ixpk= 1527, nxpk= 25, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   91 VAL  HA           37 VAL  MGY         5.50    (#   1528:25  Unique         6.17, 7.31 A)
 &rst
  ixpk= 1528, nxpk= 25, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   88 CYS  HB+          37 VAL  MGY         4.50    (#   1529:25  Unique         2.37, 5.03 A)
 &rst
  ixpk= 1529, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1318,1319,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   76 PRO  HB+          37 VAL  MGY         4.50    (#   1530:25  Unique         2.68, 4.58 A)
 &rst
  ixpk= 1530, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1152,1153,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   88 CYS  HB-          37 VAL  MGY         4.50    (#   1531:25  Unique         2.37, 5.03 A)
 &rst
  ixpk= 1531, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1318,1319,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   37 VAL  HB           37 VAL  MGY         2.50    (#   1533:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 1533, nxpk= 25, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  25-2:1534    37 VAL  MGY         2.50    (#   1534:25  Single Ambig)
 &rst
  ixpk= 1534, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1149,1150,1152,1153,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  25-2:1535    37 VAL  MGY         3.50    (#   1535:25  Single Ambig)
 &rst
  ixpk= 1535, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 636, 614, 615,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   40 LEU  MDX          37 VAL  MGY         3.50    (#   1538:25  Unique         3.75, 7.00 A)
 &rst
  ixpk= 1538, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   35 ASN  HA           37 VAL  MGY         5.50    (#   1540:25  Unique         6.61, 7.50 A)
 &rst
  ixpk= 1540, nxpk= 25, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   49 LYS  HE+          49 LYS  HG+         5.50    (#   1541:25  Unique         2.42, 3.24 A)
 &rst
  ixpk= 1541, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 757, 758,
 igr2= 751, 752,
 &end
#
#    0 AMB  25-2:1547    76 PRO  QG          4.50    (#   1547:25  Single Ambig)
 &rst
  ixpk= 1547, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 508,1146,1147,
 igr2=1149,1150,
 &end
#
#    0 AMB  25-2:1548    76 PRO  QG          4.50    (#   1548:25  Single Ambig)
 &rst
  ixpk= 1548, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1146,1147, 510, 511,
 igr2=1149,1150,
 &end
#
#   76 PRO  HB+          76 PRO  QG          4.50    (#   1549:25  Unique         2.32, 2.62 A)
 &rst
  ixpk= 1549, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1152,1153,
 igr2=1149,1150,
 &end
#
#   37 VAL  MGY          76 PRO  QG          3.50    (#   1550:25  Unique         2.32, 4.17 A)
 &rst
  ixpk= 1550, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2=1149,1150,
 &end
#
#    0 AMB  25-2:1551    76 PRO  QG          5.50    (#   1551:25  Single Ambig)
 &rst
  ixpk= 1551, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1318,1319, 404, 405,
 igr2=1149,1150,
 &end
#
#    0 AMB  25-2:1554     0 AMB  25-1:1554   3.50    (#   1554:25  Double Ambig)
 &rst
  ixpk= 1554, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1255,1256,  55,  56,
 igr2=1249,1250,  49,  50,
 &end
#
#   85 ILE  HA           83 LYS  QG          4.50    (#   1555:25  Unique         4.00, 5.36 A)
 &rst
  ixpk= 1555, nxpk= 25, iat=1283,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1249,1250,
 &end
#
#    0 AMB  25-2:1556     0 AMB  25-1:1556   2.50    (#   1556:25  Double Ambig)
 &rst
  ixpk= 1556, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=1246,1247,  46,  47,
 igr2=1249,1250,  49,  50,
 &end
#
#    0 AMB  25-2:1557     0 AMB  25-1:1557   2.50    (#   1557:25  Double Ambig)
 &rst
  ixpk= 1557, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=1252,1253,  52,  53,
 igr2=1249,1250,  49,  50,
 &end
#
#    7 LEU  MDX           4 LYS  HG+         5.50    (#   1559:25  Unique         3.15, 7.26 A)
 &rst
  ixpk= 1559, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 105, 106, 107, 109, 110, 111,
 igr2=  49,  50,
 &end
#
#   85 ILE  MD1          83 LYS  QG          4.50    (#   1560:25  Unique         2.53, 4.65 A)
 &rst
  ixpk= 1560, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1294,1295,1296,
 igr2=1249,1250,
 &end
#
#    0 AMB  25-2:1561     0 AMB  25-1:1561   4.50    (#   1561:25  Double Ambig)
 &rst
  ixpk= 1561, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  44, 190,
 igr2=  49,  50, 173, 174,
 &end
#
#    0 AMB  25-2:1562     0 AMB  25-1:1562   2.50    (#   1562:25  Double Ambig)
 &rst
  ixpk= 1562, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=1690,1691,  52,  53,
 igr2=1687,1688,  49,  50,
 &end
#
#   33 TYR  HB-          37 VAL  MGY         5.50    (#   1564:25  Unique         3.98, 6.89 A)
 &rst
  ixpk= 1564, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 489, 490,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   38 LYS  HG+          35 ASN  HA          5.50    (#   1565:25  Unique         2.71, 4.35 A)
 &rst
  ixpk= 1565, nxpk= 25, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 578, 579,
 &end
#
#    0 AMB  25-2:1566    35 ASN  HA          5.50    (#   1566:25  Single Ambig)
 &rst
  ixpk= 1566, nxpk= 25, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 508, 480, 481, 595,
 &end
#
#   35 ASN  HB-          35 ASN  HA          2.50    (#   1567:25  Unique         2.25, 2.71 A)
 &rst
  ixpk= 1567, nxpk= 25, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 521, 522,
 &end
#
#   38 LYS  HD+          35 ASN  HA          3.50    (#   1568:25  Unique         2.34, 3.36 A)
 &rst
  ixpk= 1568, nxpk= 25, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 581, 582,
 &end
#
#   38 LYS  HG-          76 PRO  QG          5.50    (#   1569:25  Unique         5.95, 7.44 A)
 &rst
  ixpk= 1569, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 578, 579,
 igr2=1149,1150,
 &end
#
#   37 VAL  MGX          76 PRO  QG          5.50    (#   1570:25  Unique         2.32, 4.17 A)
 &rst
  ixpk= 1570, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2=1149,1150,
 &end
#
#    0 AMB  25-2:1573   104 LEU  MDX         5.50    (#   1573:25  Single Ambig)
 &rst
  ixpk= 1573, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 727, 728,1604,1605,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   41 LEU  MDX         104 LEU  MDX         3.50    (#   1574:25  Unique         2.50, 5.54 A)
 &rst
  ixpk= 1574, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   66 LEU  HA           66 LEU  MDY         4.50    (#   1577:25  Unique         2.15, 3.21 A)
 &rst
  ixpk= 1577, nxpk= 25, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1578    66 LEU  MDY         3.50    (#   1578:25  Single Ambig)
 &rst
  ixpk= 1578, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 957, 212,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   77 ASN  HB-          66 LEU  MDY         5.50    (#   1579:25  Unique         2.76, 5.50 A)
 &rst
  ixpk= 1579, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1163,1164,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1580    66 LEU  MDY         4.50    (#   1580:25  Single Ambig)
 &rst
  ixpk= 1580, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 820, 261, 262, 959, 960,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1581    66 LEU  MDY         3.50    (#   1581:25  Single Ambig)
 &rst
  ixpk= 1581, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 997, 998, 940, 941,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   62 LEU  MDX          66 LEU  MDY         5.50    (#   1583:25  Unique         2.26, 6.32 A)
 &rst
  ixpk= 1583, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1585    66 LEU  MDY         2.50    (#   1585:25  Single Ambig)
 &rst
  ixpk= 1585, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1000, 987, 988, 989,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   66 LEU  HB-          66 LEU  MDY         3.50    (#   1586:25  Unique         2.28, 3.55 A)
 &rst
  ixpk= 1586, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 997, 998,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   53 LEU  MDY          66 LEU  MDY         3.50    (#   1587:25  Unique         2.89, 6.42 A)
 &rst
  ixpk= 1587, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   62 LEU  MDY          66 LEU  MDY         4.50    (#   1588:25  Unique         2.26, 6.32 A)
 &rst
  ixpk= 1588, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1590    66 LEU  MDY         4.50    (#   1590:25  Single Ambig)
 &rst
  ixpk= 1590, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 384, 385,1043,1044,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   77 ASN  HB+          66 LEU  MDY         4.50    (#   1591:25  Unique         2.76, 5.50 A)
 &rst
  ixpk= 1591, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1163,1164,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   53 LEU  MDX          66 LEU  MDY         3.50    (#   1592:25  Unique         2.89, 6.42 A)
 &rst
  ixpk= 1592, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1593    66 LEU  MDY         4.50    (#   1593:25  Single Ambig)
 &rst
  ixpk= 1593, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 945, 946, 947, 949, 950, 951, 822, 823, 824, 826,
       827, 828,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   15 LYS  HA           15 LYS  HG+         4.50    (#   1594:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 1594, nxpk= 25, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 227, 228,
 &end
#
#   15 LYS  HE-          15 LYS  HG+         5.50    (#   1595:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 1595, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 233, 234,
 igr2= 227, 228,
 &end
#
#  114 PRO  HD-         112 LYS  HA          5.50    (#   1598:25  Unique         3.62, 5.48 A)
 &rst
  ixpk= 1598, nxpk= 25, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1717,1718,
 &end
#
#   53 LEU  HA           53 LEU  MDX         2.50    (#   1600:25  Unique         2.13, 3.84 A)
 &rst
  ixpk= 1600, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   59 GLY  HA+          53 LEU  MDX         4.50    (#   1601:25  Unique         2.29, 5.11 A)
 &rst
  ixpk= 1601, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 903, 904,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   26 PHE  HB+          53 LEU  MDX         5.50    (#   1602:25  Unique         2.23, 4.70 A)
 &rst
  ixpk= 1602, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 384, 385,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1603    53 LEU  MDX         4.50    (#   1603:25  Single Ambig)
 &rst
  ixpk= 1603, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 384, 385, 424, 425, 424, 425,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1604    53 LEU  MDX         2.50    (#   1604:25  Single Ambig)
 &rst
  ixpk= 1604, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 959, 960, 820,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   62 LEU  HB+          53 LEU  MDX         3.50    (#   1605:25  Unique         2.21, 4.35 A)
 &rst
  ixpk= 1605, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 940, 941,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1606    53 LEU  MDX         3.50    (#   1606:25  Single Ambig)
 &rst
  ixpk= 1606, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 817, 818,1000,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   14 ALA  MB           53 LEU  MDX         4.50    (#   1607:25  Unique         5.74, 7.77 A)
 &rst
  ixpk= 1607, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 214, 215, 216,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   51 VAL  MGX          53 LEU  MDX         5.50    (#   1609:25  Unique         2.22, 6.02 A)
 &rst
  ixpk= 1609, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   66 LEU  MDY          53 LEU  MDX         4.50    (#   1610:25  Unique         2.89, 6.42 A)
 &rst
  ixpk= 1610, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1611   101 LEU  MDY         4.50    (#   1611:25  Single Ambig)
 &rst
  ixpk= 1611, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1555,1660, 681,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  101 LEU  HA          101 LEU  MDY         3.50    (#   1612:25  Unique         2.12, 3.61 A)
 &rst
  ixpk= 1612, nxpk= 25, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  102 PRO  HD-         101 LEU  MDY         5.50    (#   1613:25  Unique         2.43, 5.45 A)
 &rst
  ixpk= 1613, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1546,1547,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  102 PRO  HD+         101 LEU  MDY         5.50    (#   1614:25  Unique         2.43, 5.45 A)
 &rst
  ixpk= 1614, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1546,1547,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  112 LYS  QE          101 LEU  MDY         7.00    (#   1615:25  Unique         2.30, 6.53 A)
 &rst
  ixpk= 1615, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1693,1694,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:1616   101 LEU  MDY         3.50    (#   1616:25  Single Ambig)
 &rst
  ixpk= 1616, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 683,1604,1605,1604,1605,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:1617   101 LEU  MDY         4.50    (#   1617:25  Single Ambig)
 &rst
  ixpk= 1617, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1582,1583,1549,1550,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:1618   101 LEU  MDY         2.50    (#   1618:25  Single Ambig)
 &rst
  ixpk= 1618, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1=1533,1530,1531,1587,1588,1589,1591,1592,1593,1684,
      1685,1684,1685,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:1619   101 LEU  MDY         4.50    (#   1619:25  Single Ambig)
 &rst
  ixpk= 1619, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1582,1583,1687,1688,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#   44 VAL  MGY         101 LEU  MDY         2.50    (#   1620:25  Unique         2.19, 5.45 A)
 &rst
  ixpk= 1620, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 685, 686, 687, 689, 690, 691,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#   66 LEU  MDX          62 LEU  MDY         5.50    (#   1623:25  Unique         2.26, 6.32 A)
 &rst
  ixpk= 1623, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   59 GLY  HA+          62 LEU  MDY         5.50    (#   1624:25  Unique         3.74, 6.53 A)
 &rst
  ixpk= 1624, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 903, 904,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   58 ASP  HB+          62 LEU  MDY         5.50    (#   1626:25  Unique         2.40, 6.60 A)
 &rst
  ixpk= 1626, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 893, 894,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    8 ASP  HB+          11 LEU  MDY         5.50    (#   1628:25  Unique         4.77, 6.93 A)
 &rst
  ixpk= 1628, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 119, 120,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   15 LYS  HG+          11 LEU  MDY         5.50    (#   1629:25  Unique         2.31, 5.19 A)
 &rst
  ixpk= 1629, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 227, 228,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#    8 ASP  HA           11 LEU  MDY         4.50    (#   1630:25  Unique         3.25, 4.74 A)
 &rst
  ixpk= 1630, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   11 LEU  HA           11 LEU  MDY         3.50    (#   1631:25  Unique         2.47, 4.31 A)
 &rst
  ixpk= 1631, nxpk= 25, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   69 TRP  HB-          11 LEU  MDY         3.50    (#   1632:25  Unique         2.19, 5.19 A)
 &rst
  ixpk= 1632, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1043,1044,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   15 LYS  HE-          11 LEU  MDY         3.50    (#   1633:25  Unique         2.12, 4.31 A)
 &rst
  ixpk= 1633, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 233, 234,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#    0 AMB  25-2:1634    11 LEU  MDY         2.50    (#   1634:25  Single Ambig)
 &rst
  ixpk= 1634, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 154, 173, 174, 214, 215, 216,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   15 LYS  QD           11 LEU  MDY         4.50    (#   1635:25  Unique         2.51, 5.16 A)
 &rst
  ixpk= 1635, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 230, 231,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#    8 ASP  HB+           7 LEU  MDX         5.50    (#   1637:25  Unique         3.69, 7.01 A)
 &rst
  ixpk= 1637, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 119, 120,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    8 ASP  HB-           7 LEU  MDX         5.50    (#   1638:25  Unique         3.69, 7.01 A)
 &rst
  ixpk= 1638, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 119, 120,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    0 AMB  25-2:1639   104 LEU  MDX         5.50    (#   1639:25  Single Ambig)
 &rst
  ixpk= 1639, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 683, 727, 728,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#  104 LEU  HA          104 LEU  MDX         3.50    (#   1640:25  Unique         2.17, 3.88 A)
 &rst
  ixpk= 1640, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#  104 LEU  HB+         104 LEU  MDX         3.50    (#   1642:25  Unique         2.42, 3.29 A)
 &rst
  ixpk= 1642, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1582,1583,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   46 ALA  MB          104 LEU  MDX         3.50    (#   1644:25  Unique         2.22, 3.93 A)
 &rst
  ixpk= 1644, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 706, 707, 708,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#    0 AMB  25-2:1645   104 LEU  MDX         4.50    (#   1645:25  Single Ambig)
 &rst
  ixpk= 1645, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1=1662,1663,1664,1535,1536,1537,1539,1540,1541,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#    0 AMB  25-2:1646   104 LEU  MDX         2.50    (#   1646:25  Single Ambig)
 &rst
  ixpk= 1646, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 338, 339, 340, 342, 343, 344,1535,1536,1537,1539,
      1540,1541,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   41 LEU  MDY         104 LEU  MDX         5.50    (#   1647:25  Unique         2.50, 5.54 A)
 &rst
  ixpk= 1647, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   48 TYR  HB+         104 LEU  MDX         5.50    (#   1648:25  Unique         5.09, 7.10 A)
 &rst
  ixpk= 1648, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 727, 728,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   40 LEU  HA           40 LEU  MDX         3.50    (#   1651:25  Unique         2.27, 3.93 A)
 &rst
  ixpk= 1651, nxpk= 25, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   96 GLN  HA           40 LEU  MDX         5.50    (#   1652:25  Unique         6.24, 7.81 A)
 &rst
  ixpk= 1652, nxpk= 25, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   41 LEU  HA           40 LEU  MDX         5.50    (#   1653:25  Unique         2.71, 6.13 A)
 &rst
  ixpk= 1653, nxpk= 25, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   92 VAL  HA           40 LEU  MDX         3.50    (#   1654:25  Unique         2.26, 3.40 A)
 &rst
  ixpk= 1654, nxpk= 25, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   95 HIS  HB+          40 LEU  MDX         4.50    (#   1655:25  Unique         2.40, 3.86 A)
 &rst
  ixpk= 1655, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1424,1425,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   43 GLN  QB           40 LEU  MDX         4.50    (#   1657:25  Unique         3.55, 6.81 A)
 &rst
  ixpk= 1657, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 666, 667,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:1658    40 LEU  MDX         4.50    (#   1658:25  Single Ambig)
 &rst
  ixpk= 1658, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1371, 535, 536,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:1659    40 LEU  MDX         2.50    (#   1659:25  Single Ambig)
 &rst
  ixpk= 1659, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 614, 615, 636,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   92 VAL  MGY          40 LEU  MDX         2.50    (#   1662:25  Unique         2.30, 5.01 A)
 &rst
  ixpk= 1662, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1373,1374,1375,1377,1378,1379,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:1663    40 LEU  MDX         2.50    (#   1663:25  Single Ambig)
 &rst
  ixpk= 1663, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1357,1358,1359,1361,1362,1363,1516,1517,1518,1520,
      1521,1522,1516,1517,1518,1520,1521,1522,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   15 LYS  HE-          15 LYS  HG-         5.50    (#   1664:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 1664, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 233, 234,
 igr2= 227, 228,
 &end
#
#   15 LYS  HE-          15 LYS  HG-         5.50    (#   1666:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 1666, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 233, 234,
 igr2= 227, 228,
 &end
#
#   67 ALA  HA           66 LEU  MDY         5.50    (#   1669:25  Unique         3.18, 6.77 A)
 &rst
  ixpk= 1669, nxpk= 25, iat=1014,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   15 LYS  QD           15 LYS  HG+         3.50    (#   1671:25  Unique         2.44, 2.76 A)
 &rst
  ixpk= 1671, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 230, 231,
 igr2= 227, 228,
 &end
#
#   15 LYS  HE+          15 LYS  HG+         4.50    (#   1672:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 1672, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 233, 234,
 igr2= 227, 228,
 &end
#
#    0 AMB  25-2:1673     0 AMB  25-1:1673   3.50    (#   1673:25  Double Ambig)
 &rst
  ixpk= 1673, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 224, 225, 154,
 igr2= 227, 228, 227, 228,
 &end
#
#    0 AMB  25-2:1676    97 ARG  HA          2.50    (#   1676:25  Single Ambig)
 &rst
  ixpk= 1676, nxpk= 25, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1461,1462,1458,1459,
 &end
#
#    0 AMB  25-2:1677   112 LYS  HA          2.50    (#   1677:25  Single Ambig)
 &rst
  ixpk= 1677, nxpk= 25, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1684,1685,1684,1685,
 &end
#
#  112 LYS  QG          112 LYS  HA          3.50    (#   1678:25  Unique         2.41, 3.09 A)
 &rst
  ixpk= 1678, nxpk= 25, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1687,1688,
 &end
#
#   17 LEU  HB+          14 ALA  HA          4.50    (#   1679:25  Unique         2.40, 3.30 A)
 &rst
  ixpk= 1679, nxpk= 25, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   17 LEU  MDY          14 ALA  HA          5.50    (#   1680:25  Unique         2.33, 4.71 A)
 &rst
  ixpk= 1680, nxpk= 25, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 266, 267, 268, 270, 271, 272,
 &end
#
#   14 ALA  MB           14 ALA  HA          2.50    (#   1681:25  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1681, nxpk= 25, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 214, 215, 216,
 &end
#
#   17 LEU  HB-          14 ALA  HA          4.50    (#   1682:25  Unique         2.40, 3.30 A)
 &rst
  ixpk= 1682, nxpk= 25, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#    0 AMB  25-2:1683    14 ALA  HA          3.50    (#   1683:25  Single Ambig)
 &rst
  ixpk= 1683, nxpk= 25, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 266, 267, 268, 270, 271, 272, 945, 946, 947, 949,
       950, 951,
 &end
#
#   66 LEU  MDX          53 LEU  MDX         5.50    (#   1692:25  Unique         2.89, 6.42 A)
 &rst
  ixpk= 1692, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1693   101 LEU  MDX         4.50    (#   1693:25  Single Ambig)
 &rst
  ixpk= 1693, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1555,1660, 681,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  101 LEU  HA          101 LEU  MDX         3.50    (#   1694:25  Unique         2.12, 3.61 A)
 &rst
  ixpk= 1694, nxpk= 25, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  104 LEU  HA          101 LEU  MDX         5.50    (#   1695:25  Unique         5.35, 7.92 A)
 &rst
  ixpk= 1695, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  102 PRO  HD+         101 LEU  MDX         5.50    (#   1696:25  Unique         2.43, 5.45 A)
 &rst
  ixpk= 1696, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1546,1547,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:1697   101 LEU  MDX         3.50    (#   1697:25  Single Ambig)
 &rst
  ixpk= 1697, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 683,1604,1605,1604,1605,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:1698   101 LEU  MDX         4.50    (#   1698:25  Single Ambig)
 &rst
  ixpk= 1698, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1582,1583,1549,1550,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:1700   101 LEU  MDX         2.50    (#   1700:25  Single Ambig)
 &rst
  ixpk= 1700, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1=1533,1530,1531,1587,1588,1589,1591,1592,1593,1684,
      1685,1684,1685,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  100 LEU  HB-         101 LEU  MDX         5.50    (#   1702:25  Unique         2.92, 7.26 A)
 &rst
  ixpk= 1702, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1511,1512,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#   44 VAL  MGY         101 LEU  MDX         2.50    (#   1703:25  Unique         2.19, 5.45 A)
 &rst
  ixpk= 1703, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 685, 686, 687, 689, 690, 691,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#   51 VAL  MGX          62 LEU  MDY         5.50    (#   1705:25  Unique         3.67, 7.20 A)
 &rst
  ixpk= 1705, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   66 LEU  MDY          62 LEU  MDY         5.50    (#   1706:25  Unique         2.26, 6.32 A)
 &rst
  ixpk= 1706, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:1707     0 AMB  25-1:1707   3.50    (#   1707:25  Double Ambig)
 &rst
  ixpk= 1707, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1759, 139,
 igr2=1766,1767,1768,1770,1771,1772, 945, 946, 947, 949,
       950, 951,
 &end
#
#   62 LEU  HA           62 LEU  MDY         2.50    (#   1708:25  Unique         2.12, 3.20 A)
 &rst
  ixpk= 1708, nxpk= 25, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:1709    62 LEU  MDY         3.50    (#   1709:25  Single Ambig)
 &rst
  ixpk= 1709, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 212, 957,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:1710    62 LEU  MDY         5.50    (#   1710:25  Single Ambig)
 &rst
  ixpk= 1710, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 893, 894, 201, 202,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   26 PHE  HB-          62 LEU  MDY         4.50    (#   1711:25  Unique         4.19, 7.92 A)
 &rst
  ixpk= 1711, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 384, 385,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   58 ASP  HB+          62 LEU  MDY         5.50    (#   1712:25  Unique         2.40, 6.60 A)
 &rst
  ixpk= 1712, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 893, 894,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:1714    62 LEU  MDY         4.50    (#   1714:25  Single Ambig)
 &rst
  ixpk= 1714, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 923, 924, 820,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:1715    62 LEU  MDY         3.50    (#   1715:25  Single Ambig)
 &rst
  ixpk= 1715, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 940, 941, 997, 998,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:1717    62 LEU  MDY         3.50    (#   1717:25  Single Ambig)
 &rst
  ixpk= 1717, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 214, 215, 216, 141, 142, 143,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:1718    62 LEU  MDY         2.50    (#   1718:25  Single Ambig)
 &rst
  ixpk= 1718, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 940, 941, 195, 196,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   59 GLY  HA+          62 LEU  MDY         5.50    (#   1719:25  Unique         3.74, 6.53 A)
 &rst
  ixpk= 1719, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 903, 904,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   12 LYS  HA           11 LEU  MDY         5.50    (#   1720:25  Unique         2.46, 5.01 A)
 &rst
  ixpk= 1720, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#    0 AMB  25-2:1721     7 LEU  MDX         2.50    (#   1721:25  Single Ambig)
 &rst
  ixpk= 1721, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  98, 985,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    7 LEU  QB            7 LEU  MDX         2.50    (#   1722:25  Unique         2.35, 3.36 A)
 &rst
  ixpk= 1722, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 100, 101,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#   97 ARG  QD           97 ARG  HA          4.50    (#   1724:25  Unique         3.94, 4.53 A)
 &rst
  ixpk= 1724, nxpk= 25, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1464,1465,
 &end
#
#    0 AMB  25-2:1725     0 AMB  25-1:1725   2.50    (#   1725:25  Double Ambig)
 &rst
  ixpk= 1725, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1458,1459,1744,1745,
 igr2=1456,1742,
 &end
#
#  100 LEU  HB+         101 LEU  MDX         5.50    (#   1729:25  Unique         2.92, 7.26 A)
 &rst
  ixpk= 1729, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1511,1512,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:1730   101 LEU  MDX         4.50    (#   1730:25  Single Ambig)
 &rst
  ixpk= 1730, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1582,1583,1687,1688,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  102 PRO  HD+          99 GLU  HA          4.50    (#   1733:25  Unique         2.49, 3.34 A)
 &rst
  ixpk= 1733, nxpk= 25, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1546,1547,
 &end
#
#  102 PRO  HD-          99 GLU  HA          5.50    (#   1734:25  Unique         2.49, 3.34 A)
 &rst
  ixpk= 1734, nxpk= 25, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1546,1547,
 &end
#
#   99 GLU  QG           99 GLU  HA          2.50    (#   1735:25  Unique         2.49, 2.82 A)
 &rst
  ixpk= 1735, nxpk= 25, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1499,1500,
 &end
#
#   94 LYS  HA           99 GLU  HA          5.50    (#   1736:25  Unique         5.50, 5.54 A)
 &rst
  ixpk= 1736, nxpk= 25, iat=1400,1494, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  116 GLN  HB-         116 GLN  HA          3.50    (#   1738:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 1738, nxpk= 25, iat=  -1,1742, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1744,1745,
 &end
#
#  115 ALA  MB          116 GLN  HA          5.50    (#   1739:25  Unique         4.70, 5.51 A)
 &rst
  ixpk= 1739, nxpk= 25, iat=  -1,1742, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1734,1735,1736,
 &end
#
#  117 LEU  HA          116 GLN  HA          5.50    (#   1740:25  Unique         4.26, 4.49 A)
 &rst
  ixpk= 1740, nxpk= 25, iat=1759,1742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1747    78 VAL  MGX         5.50    (#   1747:25  Single Ambig)
 &rst
  ixpk= 1747, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1163,1164, 727, 728,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#  102 PRO  HA          117 LEU  MDY         5.50    (#   1748:25  Unique         2.27, 4.57 A)
 &rst
  ixpk= 1748, nxpk= 25, iat=1555,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1766,1767,1768,1770,1771,1772,
 &end
#
#    0 AMB  25-2:1750   117 LEU  MDY         5.50    (#   1750:25  Single Ambig)
 &rst
  ixpk= 1750, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1618,1619,1706,1707,
 igr2=1766,1767,1768,1770,1771,1772,
 &end
#
#  105 GLN  HG-         117 LEU  MDY         5.50    (#   1751:25  Unique         2.36, 6.57 A)
 &rst
  ixpk= 1751, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1604,1605,
 igr2=1766,1767,1768,1770,1771,1772,
 &end
#
#    8 ASP  HB+           7 LEU  MDY         5.50    (#   1753:25  Unique         3.69, 7.01 A)
 &rst
  ixpk= 1753, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 119, 120,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    7 LEU  HA            7 LEU  MDY         2.50    (#   1754:25  Unique         2.20, 3.82 A)
 &rst
  ixpk= 1754, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#   68 HIS  HB-           7 LEU  MDY         5.50    (#   1755:25  Unique         2.50, 4.16 A)
 &rst
  ixpk= 1755, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1026,1027,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    8 ASP  HB-           7 LEU  MDY         5.50    (#   1757:25  Unique         3.69, 7.01 A)
 &rst
  ixpk= 1757, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 119, 120,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    0 AMB  25-2:1758     7 LEU  MDY         5.50    (#   1758:25  Single Ambig)
 &rst
  ixpk= 1758, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 923, 924,  85,  86,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    0 AMB  25-2:1759     7 LEU  MDY         4.50    (#   1759:25  Single Ambig)
 &rst
  ixpk= 1759, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 923, 924,  85,  86,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    7 LEU  HG            7 LEU  MDY         2.50    (#   1760:25  Unique         2.33, 2.66 A)
 &rst
  ixpk= 1760, nxpk= 25, iat= 103,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    0 AMB  25-2:1765     0 AMB  25-1:1765   4.50    (#   1765:25  Double Ambig)
 &rst
  ixpk= 1765, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 976, 977, 149,
 igr2= 985, 139,
 &end
#
#    0 AMB  25-2:1766    65 ALA  HA          3.50    (#   1766:25  Single Ambig)
 &rst
  ixpk= 1766, nxpk= 25, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1026,1027,1026,1027,
 &end
#
#   65 ALA  MB           65 ALA  HA          2.50    (#   1767:25  Unique         2.42, 2.64 A)
 &rst
  ixpk= 1767, nxpk= 25, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 987, 988, 989,
 &end
#
#    7 LEU  MDX          65 ALA  HA          4.50    (#   1768:25  Unique         2.29, 3.87 A)
 &rst
  ixpk= 1768, nxpk= 25, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#   24 VAL  HB           18 ALA  HA          4.50    (#   1772:25  Unique         2.52, 2.60 A)
 &rst
  ixpk= 1772, nxpk= 25, iat= 352, 278, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1773    18 ALA  HA          2.50    (#   1773:25  Single Ambig)
 &rst
  ixpk= 1773, nxpk= 25, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1= 354, 355, 356, 358, 359, 360, 280, 281, 282,
 &end
#
#   24 VAL  MGX          18 ALA  HA          3.50    (#   1774:25  Unique         2.20, 3.29 A)
 &rst
  ixpk= 1774, nxpk= 25, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   12 LYS  HA            9 ALA  HA          5.50    (#   1776:25  Unique         5.24, 5.39 A)
 &rst
  ixpk= 1776, nxpk= 25, iat= 168, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 LYS  QB            9 ALA  HA          3.50    (#   1777:25  Unique         2.65, 3.23 A)
 &rst
  ixpk= 1777, nxpk= 25, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 170, 171,
 &end
#
#   12 LYS  QD            9 ALA  HA          4.50    (#   1778:25  Unique         2.71, 4.25 A)
 &rst
  ixpk= 1778, nxpk= 25, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 176, 177,
 &end
#
#    9 ALA  MB            9 ALA  HA          2.50    (#   1779:25  Unique         2.46, 2.67 A)
 &rst
  ixpk= 1779, nxpk= 25, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 131, 132, 133,
 &end
#
#    0 AMB  25-2:1780    67 ALA  HA          4.50    (#   1780:25  Single Ambig)
 &rst
  ixpk= 1780, nxpk= 25, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1079,1080,1024,
 &end
#
#   67 ALA  MB           67 ALA  HA          2.50    (#   1783:25  Unique         2.43, 2.68 A)
 &rst
  ixpk= 1783, nxpk= 25, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1016,1017,1018,
 &end
#
#   48 TYR  HB-          50 VAL  MGX         5.50    (#   1784:25  Unique         4.51, 7.17 A)
 &rst
  ixpk= 1784, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 727, 728,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   51 VAL  HA           50 VAL  MGX         5.50    (#   1785:25  Unique         3.89, 5.72 A)
 &rst
  ixpk= 1785, nxpk= 25, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   27 SER  HB-          50 VAL  MGX         4.50    (#   1786:25  Unique         2.48, 5.49 A)
 &rst
  ixpk= 1786, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 404, 405,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#    0 AMB  25-2:1787    50 VAL  MGX         3.50    (#   1787:25  Single Ambig)
 &rst
  ixpk= 1787, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 584, 585, 584, 585,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#    0 AMB  25-2:1788    50 VAL  MGX         3.50    (#   1788:25  Single Ambig)
 &rst
  ixpk= 1788, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 805, 806, 368,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   50 VAL  HB           50 VAL  MGX         2.50    (#   1789:25  Unique         2.35, 2.66 A)
 &rst
  ixpk= 1789, nxpk= 25, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   38 LYS  HD-          50 VAL  MGX         4.50    (#   1790:25  Unique         2.24, 4.54 A)
 &rst
  ixpk= 1790, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 581, 582,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   38 LYS  HD+          50 VAL  MGX         4.50    (#   1791:25  Unique         2.24, 4.54 A)
 &rst
  ixpk= 1791, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 581, 582,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   89 ASP  HA           92 VAL  MGY         3.50    (#   1793:25  Unique         2.11, 4.55 A)
 &rst
  ixpk= 1793, nxpk= 25, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   92 VAL  HA           92 VAL  MGY         2.50    (#   1794:25  Unique         2.47, 3.21 A)
 &rst
  ixpk= 1794, nxpk= 25, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   36 ARG  HD-          92 VAL  MGY         5.50    (#   1795:25  Unique         2.42, 5.28 A)
 &rst
  ixpk= 1795, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 541, 542,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   36 ARG  HD+          92 VAL  MGY         5.50    (#   1796:25  Unique         2.42, 5.28 A)
 &rst
  ixpk= 1796, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 541, 542,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   96 GLN  HG-          92 VAL  MGY         5.50    (#   1797:25  Unique         2.96, 5.78 A)
 &rst
  ixpk= 1797, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1444,1445,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#    0 AMB  25-2:1798    92 VAL  MGY         2.50    (#   1798:25  Single Ambig)
 &rst
  ixpk= 1798, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1371,1387,1388, 535, 536,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   40 LEU  MDY          92 VAL  MGY         4.50    (#   1799:25  Unique         2.30, 5.01 A)
 &rst
  ixpk= 1799, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   40 LEU  MDX          92 VAL  MGY         2.50    (#   1800:25  Unique         2.30, 5.01 A)
 &rst
  ixpk= 1800, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   40 LEU  HG           92 VAL  MGY         4.50    (#   1801:25  Unique         4.61, 6.47 A)
 &rst
  ixpk= 1801, nxpk= 25, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   40 LEU  HA           92 VAL  MGY         5.50    (#   1803:25  Unique         5.33, 7.35 A)
 &rst
  ixpk= 1803, nxpk= 25, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   90 THR  HB           91 VAL  MGY         4.50    (#   1804:25  Unique         3.04, 4.59 A)
 &rst
  ixpk= 1804, nxpk= 25, iat=1341,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  25-2:1805    91 VAL  MGY         5.50    (#   1805:25  Single Ambig)
 &rst
  ixpk= 1805, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1309,1310,1302,1303,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   91 VAL  HA            0 AMB  25-1:1806   2.50    (#   1806:25  Single Ambig)
 &rst
  ixpk= 1806, nxpk= 25, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1357,1358,1359,1361,1362,1363,1516,1517,1518,1520,
      1521,1522,
 &end
#
#   88 CYS  HB-          91 VAL  MGY         5.50    (#   1807:25  Unique         4.65, 6.48 A)
 &rst
  ixpk= 1807, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1318,1319,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   91 VAL  HB            0 AMB  25-1:1808   2.50    (#   1808:25  Single Ambig)
 &rst
  ixpk= 1808, nxpk= 25, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   41 LEU  MDY           0 AMB  25-1:1809   5.50    (#   1809:25  Single Ambig)
 &rst
  ixpk= 1809, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   88 CYS  HA           91 VAL  MGY         4.50    (#   1810:25  Unique         2.27, 4.13 A)
 &rst
  ixpk= 1810, nxpk= 25, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   66 LEU  HA           66 LEU  MDX         2.50    (#   1811:25  Unique         2.15, 3.21 A)
 &rst
  ixpk= 1811, nxpk= 25, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1812    66 LEU  MDX         4.50    (#   1812:25  Single Ambig)
 &rst
  ixpk= 1812, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 957, 212,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   73 GLY  HA-          66 LEU  MDX         5.50    (#   1813:25  Unique         2.62, 6.93 A)
 &rst
  ixpk= 1813, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1110,1111,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1814    66 LEU  MDX         4.50    (#   1814:25  Single Ambig)
 &rst
  ixpk= 1814, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 384, 385,1043,1044,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   77 ASN  HB-          66 LEU  MDX         5.50    (#   1815:25  Unique         2.76, 5.50 A)
 &rst
  ixpk= 1815, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1163,1164,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1816    66 LEU  MDX         3.50    (#   1816:25  Single Ambig)
 &rst
  ixpk= 1816, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 997, 998, 940, 941,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1817    66 LEU  MDX         2.50    (#   1817:25  Single Ambig)
 &rst
  ixpk= 1817, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1000, 987, 988, 989,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   14 ALA  MB           66 LEU  MDX         2.50    (#   1818:25  Unique         2.35, 4.34 A)
 &rst
  ixpk= 1818, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 214, 215, 216,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   53 LEU  MDX          66 LEU  MDX         5.50    (#   1819:25  Unique         2.89, 6.42 A)
 &rst
  ixpk= 1819, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   53 LEU  MDY          66 LEU  MDX         4.50    (#   1820:25  Unique         2.89, 6.42 A)
 &rst
  ixpk= 1820, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1821    66 LEU  MDX         5.50    (#   1821:25  Single Ambig)
 &rst
  ixpk= 1821, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 945, 946, 947, 949, 950, 951, 822, 823, 824, 826,
       827, 828,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   62 LEU  MDY          66 LEU  MDX         4.50    (#   1822:25  Unique         2.26, 6.32 A)
 &rst
  ixpk= 1822, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1826    66 LEU  MDX         5.50    (#   1826:25  Single Ambig)
 &rst
  ixpk= 1826, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1= 820, 261, 262, 959, 960,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   62 LEU  MDX          66 LEU  MDX         5.50    (#   1828:25  Unique         2.26, 6.32 A)
 &rst
  ixpk= 1828, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   10 ALA  MB           10 ALA  HA          2.50    (#   1830:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 1830, nxpk= 25, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 141, 142, 143,
 &end
#
#   12 LYS  HG-           9 ALA  HA          5.50    (#   1831:25  Unique         3.86, 5.16 A)
 &rst
  ixpk= 1831, nxpk= 25, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 173, 174,
 &end
#
#   88 CYS  HA           90 THR  MG2         7.00    (#   1837:25  Unique         7.41, 7.83 A)
 &rst
  ixpk= 1837, nxpk= 25, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1343,1344,1345,
 &end
#
#   22 PRO  HA           23 VAL  MGX         4.50    (#   1838:25  Unique         4.54, 6.34 A)
 &rst
  ixpk= 1838, nxpk= 25, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#  104 LEU  HA           23 VAL  MGX         4.50    (#   1839:25  Unique         4.16, 5.77 A)
 &rst
  ixpk= 1839, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   48 TYR  HB+          23 VAL  MGX         4.50    (#   1840:25  Unique         2.42, 4.04 A)
 &rst
  ixpk= 1840, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 727, 728,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:1841    23 VAL  MGX         2.50    (#   1841:25  Single Ambig)
 &rst
  ixpk= 1841, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 336, 322, 323,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:1842     0 AMB  25-1:1842   2.50    (#   1842:25  Double Ambig)
 &rst
  ixpk= 1842, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1219,1220,1650,1651,1652, 636,
 igr2= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   46 ALA  MB           23 VAL  MGX         3.50    (#   1843:25  Unique         2.45, 5.07 A)
 &rst
  ixpk= 1843, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 706, 707, 708,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   41 LEU  MDX           0 AMB  25-1:1844   3.50    (#   1844:25  Single Ambig)
 &rst
  ixpk= 1844, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   87 GLY  HA-          78 VAL  MGX         4.50    (#   1845:25  Unique         2.30, 5.78 A)
 &rst
  ixpk= 1845, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1309,1310,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  25-2:1846     0 AMB  25-1:1846   5.50    (#   1846:25  Double Ambig)
 &rst
  ixpk= 1846, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.51, r4=12.01,
 igr1=1193,1194,1193,1194,1163,1164,1353,
 igr2=1179,1180,1181,1183,1184,1185, 338, 339, 340, 342,
       343, 344,
 &end
#
#   76 PRO  HB+          78 VAL  MGX         4.50    (#   1847:25  Unique         2.65, 5.39 A)
 &rst
  ixpk= 1847, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1152,1153,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   78 VAL  HB           78 VAL  MGX         2.50    (#   1848:25  Unique         2.42, 2.67 A)
 &rst
  ixpk= 1848, nxpk= 25, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  25-2:1849     0 AMB  25-1:1849   2.50    (#   1849:25  Double Ambig)
 &rst
  ixpk= 1849, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1587,1588,1589,1591,1592,1593,1152,1153,
 igr2= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   41 LEU  MDY           0 AMB  25-1:1851   4.50    (#   1851:25  Single Ambig)
 &rst
  ixpk= 1851, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
      1184,1185,
 &end
#
#    0 AMB  25-2:1854     0 AMB  25-1:1854   2.50    (#   1854:25  Double Ambig)
 &rst
  ixpk= 1854, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 863, 864, 802, 803,
 igr2= 868, 869, 870, 872, 873, 874, 772, 773, 774, 776,
       777, 778,
 &end
#
#    0 AMB  25-2:1855     0 AMB  25-1:1855   3.50    (#   1855:25  Double Ambig)
 &rst
  ixpk= 1855, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 863, 864,1213,
 igr2= 868, 869, 870, 872, 873, 874,1568,1569,1570,1572,
      1573,1574,
 &end
#
#  103 LEU  HA          103 LEU  MDX         2.50    (#   1856:25  Unique         2.19, 3.80 A)
 &rst
  ixpk= 1856, nxpk= 25, iat=1561,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1568,1569,1570,1572,1573,1574,
 &end
#
#    0 AMB  25-2:1857     0 AMB  25-1:1857   5.50    (#   1857:25  Double Ambig)
 &rst
  ixpk= 1857, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1=1552,1553, 727, 728,
 igr2=1568,1569,1570,1572,1573,1574, 772, 773, 774, 776,
       777, 778,
 &end
#
#    0 AMB  25-2:1858     0 AMB  25-1:1858   2.50    (#   1858:25  Double Ambig)
 &rst
  ixpk= 1858, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 866, 770,1566, 266, 267, 268, 270, 271, 272,
 igr2= 868, 869, 870, 872, 873, 874, 772, 773, 774, 776,
       777, 778,1568,1569,1570,1572,1573,1574,
 &end
#
#    0 AMB  25-2:1859     0 AMB  25-1:1859   2.50    (#   1859:25  Double Ambig)
 &rst
  ixpk= 1859, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 581, 582, 578, 579,1563,1564,
 igr2= 772, 773, 774, 776, 777, 778,1568,1569,1570,1572,
      1573,1574,
 &end
#
#    0 AMB  25-2:1860   103 LEU  MDX         2.50    (#   1860:25  Single Ambig)
 &rst
  ixpk= 1860, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1294,1295,1296,1222,1223,1224,
 igr2=1568,1569,1570,1572,1573,1574,
 &end
#
#   13 LYS  QE           17 LEU  MDX         5.50    (#   1861:25  Unique         2.38, 5.15 A)
 &rst
  ixpk= 1861, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 201, 202,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   49 LYS  HE+          17 LEU  MDX         4.50    (#   1862:25  Unique         2.07, 4.52 A)
 &rst
  ixpk= 1862, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 757, 758,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   16 GLU  HG-          17 LEU  MDX         5.50    (#   1863:25  Unique         4.73, 7.53 A)
 &rst
  ixpk= 1863, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 249, 250,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#  104 LEU  MDY         100 LEU  MDX         3.50    (#   1864:25  Unique         2.30, 5.17 A)
 &rst
  ixpk= 1864, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1587,1588,1589,1591,1592,1593,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#    0 AMB  25-2:1865     0 AMB  25-1:1865   2.50    (#   1865:25  Double Ambig)
 &rst
  ixpk= 1865, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 418, 419,1514,1563,1564,
 igr2=1135,1136,1137,1139,1140,1141,1516,1517,1518,1520,
      1521,1522,
 &end
#
#  100 LEU  HB-         100 LEU  MDX         2.50    (#   1866:25  Unique         2.40, 3.32 A)
 &rst
  ixpk= 1866, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1511,1512,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#   41 LEU  MDX           0 AMB  25-1:1867   3.50    (#   1867:25  Single Ambig)
 &rst
  ixpk= 1867, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   13 LYS  HB+          10 ALA  HA          3.50    (#   1869:25  Unique         2.46, 3.04 A)
 &rst
  ixpk= 1869, nxpk= 25, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 192, 193,
 &end
#
#   13 LYS  HB-          10 ALA  HA          4.50    (#   1870:25  Unique         2.46, 3.04 A)
 &rst
  ixpk= 1870, nxpk= 25, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 192, 193,
 &end
#
#   13 LYS  HG+          10 ALA  HA          5.50    (#   1871:25  Unique         4.19, 4.97 A)
 &rst
  ixpk= 1871, nxpk= 25, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 195, 196,
 &end
#
#   62 LEU  MDY          10 ALA  HA          3.50    (#   1872:25  Unique         2.59, 4.43 A)
 &rst
  ixpk= 1872, nxpk= 25, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 945, 946, 947, 949, 950, 951,
 &end
#
#   85 ILE  HA           90 THR  MG2         5.50    (#   1874:25  Unique         4.67, 5.51 A)
 &rst
  ixpk= 1874, nxpk= 25, iat=1283,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1343,1344,1345,
 &end
#
#   90 THR  HA           90 THR  MG2         3.50    (#   1875:25  Unique         2.35, 2.98 A)
 &rst
  ixpk= 1875, nxpk= 25, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1343,1344,1345,
 &end
#
#   90 THR  HB           90 THR  MG2         3.50    (#   1876:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 1876, nxpk= 25, iat=1341,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1343,1344,1345,
 &end
#
#   86 GLY  HA-          90 THR  MG2         4.50    (#   1877:25  Unique         2.26, 4.09 A)
 &rst
  ixpk= 1877, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1302,1303,
 igr2=1343,1344,1345,
 &end
#
#   91 VAL  HA           90 THR  MG2         5.50    (#   1878:25  Unique         3.90, 4.98 A)
 &rst
  ixpk= 1878, nxpk= 25, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1343,1344,1345,
 &end
#
#    0 AMB  25-2:1879    90 THR  MG2         3.50    (#   1879:25  Single Ambig)
 &rst
  ixpk= 1879, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1411,1412,1411,1412,
 igr2=1343,1344,1345,
 &end
#
#    0 AMB  25-2:1880    90 THR  MG2         3.50    (#   1880:25  Single Ambig)
 &rst
  ixpk= 1880, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1402,1403,1387,1388,
 igr2=1343,1344,1345,
 &end
#
#    0 AMB  25-2:1881    90 THR  MG2         5.50    (#   1881:25  Single Ambig)
 &rst
  ixpk= 1881, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1285,1291,1292,
 igr2=1343,1344,1345,
 &end
#
#   94 LYS  QG           90 THR  MG2         4.50    (#   1882:25  Unique         3.06, 4.61 A)
 &rst
  ixpk= 1882, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1405,1406,
 igr2=1343,1344,1345,
 &end
#
#    0 AMB  25-2:1884    90 THR  MG2         3.50    (#   1884:25  Single Ambig)
 &rst
  ixpk= 1884, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,
 igr2=1343,1344,1345,
 &end
#
#   85 ILE  MG2          90 THR  MG2         2.50    (#   1885:25  Unique         2.77, 4.26 A)
 &rst
  ixpk= 1885, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=1287,1288,1289,
 igr2=1343,1344,1345,
 &end
#
#    0 AMB  25-2:1887    23 VAL  MGX         5.50    (#   1887:25  Single Ambig)
 &rst
  ixpk= 1887, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1= 716, 717, 319, 320, 319, 320, 631,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:1888    23 VAL  MGX         3.50    (#   1888:25  Single Ambig)
 &rst
  ixpk= 1888, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 727, 728, 325, 326,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   22 PRO  HD+          24 VAL  MGY         5.50    (#   1889:25  Unique         5.60, 7.87 A)
 &rst
  ixpk= 1889, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 319, 320,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   51 VAL  MGX           0 AMB  25-1:1890   4.50    (#   1890:25  Single Ambig)
 &rst
  ixpk= 1890, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 868, 869, 870, 872, 873, 874, 354, 355, 356, 358,
       359, 360,
 &end
#
#    0 AMB  25-2:1891     0 AMB  25-1:1891   3.50    (#   1891:25  Double Ambig)
 &rst
  ixpk= 1891, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 815, 882, 883, 784, 301, 302,
 igr2= 868, 869, 870, 872, 873, 874, 772, 773, 774, 776,
       777, 778, 354, 355, 356, 358, 359, 360,
 &end
#
#   27 SER  HB-          50 VAL  MGY         5.50    (#   1892:25  Unique         2.48, 5.49 A)
 &rst
  ixpk= 1892, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 404, 405,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#    0 AMB  25-2:1893     0 AMB  25-1:1893   3.50    (#   1893:25  Double Ambig)
 &rst
  ixpk= 1893, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 584, 585, 584, 585,1618,1619,
 igr2= 772, 773, 774, 776, 777, 778,1568,1569,1570,1572,
      1573,1574,
 &end
#
#    0 AMB  25-2:1894     0 AMB  25-1:1894   2.50    (#   1894:25  Double Ambig)
 &rst
  ixpk= 1894, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 805, 806, 368, 940, 941,
 igr2= 772, 773, 774, 776, 777, 778, 868, 869, 870, 872,
       873, 874,
 &end
#
#    0 AMB  25-2:1895     0 AMB  25-1:1895   4.50    (#   1895:25  Double Ambig)
 &rst
  ixpk= 1895, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 578, 579, 940, 941,
 igr2= 772, 773, 774, 776, 777, 778, 868, 869, 870, 872,
       873, 874,
 &end
#
#    0 AMB  25-2:1897    17 LEU  MDX         2.50    (#   1897:25  Single Ambig)
 &rst
  ixpk= 1897, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 259, 212,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   51 VAL  MGX          17 LEU  MDX         3.50    (#   1899:25  Unique         2.19, 4.42 A)
 &rst
  ixpk= 1899, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   17 LEU  HB-          17 LEU  MDX         2.50    (#   1900:25  Unique         2.40, 3.31 A)
 &rst
  ixpk= 1900, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 261, 262,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#    0 AMB  25-2:1901     0 AMB  25-1:1901   2.50    (#   1901:25  Double Ambig)
 &rst
  ixpk= 1901, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1509,1131,
 igr2=1516,1517,1518,1520,1521,1522,1135,1136,1137,1139,
      1140,1141,
 &end
#
#    0 AMB  25-2:1902     0 AMB  25-1:1902   2.50    (#   1902:25  Double Ambig)
 &rst
  ixpk= 1902, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1133,1511,1512,
 igr2=1135,1136,1137,1139,1140,1141,1516,1517,1518,1520,
      1521,1522,
 &end
#
#   18 ALA  HA           24 VAL  MGY         3.50    (#   1906:25  Unique         2.20, 3.29 A)
 &rst
  ixpk= 1906, nxpk= 25, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:1907    24 VAL  MGY         2.50    (#   1907:25  Single Ambig)
 &rst
  ixpk= 1907, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 312, 313, 314, 751, 752,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:1910     0 AMB  25-1:1910   2.50    (#   1910:25  Double Ambig)
 &rst
  ixpk= 1910, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 424, 425, 424, 425,1152,1153,
 igr2=1135,1136,1137,1139,1140,1141, 561, 562, 563, 565,
       566, 567,
 &end
#
#   38 LYS  HA           41 LEU  MDX         5.50    (#   1912:25  Unique         2.92, 5.22 A)
 &rst
  ixpk= 1912, nxpk= 25, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1917    24 VAL  MGY         5.50    (#   1917:25  Single Ambig)
 &rst
  ixpk= 1917, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 319, 320, 319, 320,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   38 LYS  HA           50 VAL  MGY         5.50    (#   1918:25  Unique         4.49, 6.08 A)
 &rst
  ixpk= 1918, nxpk= 25, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   91 VAL  HA           91 VAL  MGX         2.50    (#   1919:25  Unique         2.31, 3.48 A)
 &rst
  ixpk= 1919, nxpk= 25, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  25-2:1920     0 AMB  25-1:1920   4.50    (#   1920:25  Double Ambig)
 &rst
  ixpk= 1920, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1=1424,1425, 510, 511,
 igr2=1357,1358,1359,1361,1362,1363,1135,1136,1137,1139,
      1140,1141, 561, 562, 563, 565, 566, 567,
 &end
#
#   37 VAL  HA            0 AMB  25-1:1921   2.50    (#   1921:25  Single Ambig)
 &rst
  ixpk= 1921, nxpk= 25, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   38 LYS  HA           37 VAL  MGX         4.50    (#   1922:25  Unique         3.42, 5.59 A)
 &rst
  ixpk= 1922, nxpk= 25, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   88 CYS  HB+          37 VAL  MGX         4.50    (#   1923:25  Unique         2.37, 5.03 A)
 &rst
  ixpk= 1923, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1318,1319,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  25-2:1924     0 AMB  25-1:1924   2.50    (#   1924:25  Double Ambig)
 &rst
  ixpk= 1924, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1355, 559,
 igr2=1357,1358,1359,1361,1362,1363, 561, 562, 563, 565,
       566, 567,
 &end
#
#    0 AMB  25-2:1925    37 VAL  MGX         2.50    (#   1925:25  Single Ambig)
 &rst
  ixpk= 1925, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1149,1150,1152,1153,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  25-2:1926     0 AMB  25-1:1926   2.50    (#   1926:25  Double Ambig)
 &rst
  ixpk= 1926, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 421, 422, 636,1408,1409, 817, 818, 614, 615,
 igr2=1135,1136,1137,1139,1140,1141, 561, 562, 563, 565,
       566, 567,1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  25-2:1927     0 AMB  25-1:1927   3.50    (#   1927:25  Double Ambig)
 &rst
  ixpk= 1927, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr1= 578, 579,1343,1344,1345,1511,1512,
 igr2= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   41 LEU  HA           41 LEU  MDX         2.50    (#   1930:25  Unique         2.15, 3.85 A)
 &rst
  ixpk= 1930, nxpk= 25, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   48 TYR  HB+          41 LEU  MDX         5.50    (#   1931:25  Unique         2.34, 4.52 A)
 &rst
  ixpk= 1931, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 727, 728,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   48 TYR  HB-          41 LEU  MDX         4.50    (#   1932:25  Unique         2.34, 4.52 A)
 &rst
  ixpk= 1932, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 727, 728,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1933    41 LEU  MDX         4.50    (#   1933:25  Single Ambig)
 &rst
  ixpk= 1933, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1355, 559, 368,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1934    41 LEU  MDX         2.50    (#   1934:25  Single Ambig)
 &rst
  ixpk= 1934, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 636, 614, 615,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1935    41 LEU  MDX         2.50    (#   1935:25  Single Ambig)
 &rst
  ixpk= 1935, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 706, 707, 708, 619, 620, 621, 623, 624, 625,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1936    41 LEU  MDX         3.50    (#   1936:25  Single Ambig)
 &rst
  ixpk= 1936, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
      1184,1185,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1937    41 LEU  MDX         2.50    (#   1937:25  Single Ambig)
 &rst
  ixpk= 1937, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 561, 562, 563, 565, 566, 567, 338, 339, 340, 342,
       343, 344, 633, 634,1516,1517,1518,1520,1521,1522,
       685, 686, 687, 689, 690, 691,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#  104 LEU  MDY          41 LEU  MDX         5.50    (#   1941:25  Unique         2.50, 5.54 A)
 &rst
  ixpk= 1941, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1587,1588,1589,1591,1592,1593,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   29 THR  HB           29 THR  MG2         3.50    (#   1948:25  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1948, nxpk= 25, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 439, 440, 441,
 &end
#
#   29 THR  HA           29 THR  MG2         3.50    (#   1949:25  Unique         2.37, 2.95 A)
 &rst
  ixpk= 1949, nxpk= 25, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 439, 440, 441,
 &end
#
#    0 AMB  25-2:1950    29 THR  MG2         3.50    (#   1950:25  Single Ambig)
 &rst
  ixpk= 1950, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 802, 803, 851, 852, 805, 806,
 igr2= 439, 440, 441,
 &end
#
#   52 GLU  HB-          29 THR  MG2         4.50    (#   1951:25  Unique         2.26, 3.56 A)
 &rst
  ixpk= 1951, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 802, 803,
 igr2= 439, 440, 441,
 &end
#
#    0 AMB  25-2:1955    42 THR  MG2         4.50    (#   1955:25  Single Ambig)
 &rst
  ixpk= 1955, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 597, 598, 575, 576,
 igr2= 654, 655, 656,
 &end
#
#   41 LEU  HB-          42 THR  MG2         5.50    (#   1956:25  Unique         6.39, 7.04 A)
 &rst
  ixpk= 1956, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 633, 634,
 igr2= 654, 655, 656,
 &end
#
#    0 AMB  25-2:1959     0 AMB  25-1:1959   2.50    (#   1959:25  Double Ambig)
 &rst
  ixpk= 1959, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1660,1119,
 igr2=1662,1663,1664,1121,1122,1123,
 &end
#
#    0 AMB  25-2:1960   110 THR  MG2         4.50    (#   1960:25  Single Ambig)
 &rst
  ixpk= 1960, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1599, 697, 698,1528,
 igr2=1662,1663,1664,
 &end
#
#    0 AMB  25-2:1961   110 THR  MG2         5.50    (#   1961:25  Single Ambig)
 &rst
  ixpk= 1961, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 697, 698,1580,
 igr2=1662,1663,1664,
 &end
#
#    0 AMB  25-2:1963   110 THR  MG2         4.50    (#   1963:25  Single Ambig)
 &rst
  ixpk= 1963, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1604,1605,1604,1605, 683,
 igr2=1662,1663,1664,
 &end
#
#    0 AMB  25-2:1965   110 THR  MG2         4.50    (#   1965:25  Single Ambig)
 &rst
  ixpk= 1965, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1587,1588,1589,1591,1592,1593,1684,1685,1684,1685,
      
 igr2=1662,1663,1664,
 &end
#
#  109 ALA  MB          110 THR  MG2         3.50    (#   1966:25  Unique         2.68, 5.03 A)
 &rst
  ixpk= 1966, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1650,1651,1652,
 igr2=1662,1663,1664,
 &end
#
#    0 AMB  25-2:1967   110 THR  MG2         4.50    (#   1967:25  Single Ambig)
 &rst
  ixpk= 1967, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1582,1583,1687,1688,
 igr2=1662,1663,1664,
 &end
#
#   41 LEU  MDY          37 VAL  MGX         2.50    (#   1974:25  Unique         2.28, 5.78 A)
 &rst
  ixpk= 1974, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   40 LEU  HA           41 LEU  MDX         5.50    (#   1975:25  Unique         5.10, 7.25 A)
 &rst
  ixpk= 1975, nxpk= 25, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1979    42 THR  MG2         2.50    (#   1979:25  Single Ambig)
 &rst
  ixpk= 1979, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 652, 650,
 igr2= 654, 655, 656,
 &end
#
#   43 GLN  HA           42 THR  MG2         3.50    (#   1980:25  Unique         3.57, 4.67 A)
 &rst
  ixpk= 1980, nxpk= 25, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 654, 655, 656,
 &end
#
#    0 AMB  25-2:1981    42 THR  MG2         5.50    (#   1981:25  Single Ambig)
 &rst
  ixpk= 1981, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 669, 670, 600, 601,
 igr2= 654, 655, 656,
 &end
#
#    0 AMB  25-2:1982    42 THR  MG2         4.50    (#   1982:25  Single Ambig)
 &rst
  ixpk= 1982, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 669, 670, 600, 601,
 igr2= 654, 655, 656,
 &end
#
#   74 THR  HB           74 THR  MG2         2.50    (#   1983:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 1983, nxpk= 25, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1121,1122,1123,
 &end
#
#   73 GLY  HA-          74 THR  MG2         5.50    (#   1984:25  Unique         4.04, 6.16 A)
 &rst
  ixpk= 1984, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1110,1111,
 igr2=1121,1122,1123,
 &end
#
#   40 LEU  MDY          92 VAL  MGX         5.50    (#   1985:25  Unique         2.30, 5.01 A)
 &rst
  ixpk= 1985, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#    0 AMB  25-2:1986    51 VAL  MGY         2.50    (#   1986:25  Single Ambig)
 &rst
  ixpk= 1986, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 784, 815,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   49 LYS  HE-          51 VAL  MGY         5.50    (#   1987:25  Unique         2.19, 4.89 A)
 &rst
  ixpk= 1987, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 757, 758,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:1988    51 VAL  MGY         4.50    (#   1988:25  Single Ambig)
 &rst
  ixpk= 1988, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1= 266, 267, 268, 270, 271, 272, 866,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   51 VAL  HB           51 VAL  MGY         2.50    (#   1989:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 1989, nxpk= 25, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   53 LEU  MDX          51 VAL  MGY         3.50    (#   1990:25  Unique         2.22, 6.02 A)
 &rst
  ixpk= 1990, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:1992     0 AMB  25-1:1992   5.50    (#   1992:25  Double Ambig)
 &rst
  ixpk= 1992, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 533,1230,1231, 612,
 igr2= 561, 562, 563, 565, 566, 567, 338, 339, 340, 342,
       343, 344,
 &end
#
#   89 ASP  HA           91 VAL  MGX         5.50    (#   1993:25  Unique         5.37, 6.91 A)
 &rst
  ixpk= 1993, nxpk= 25, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   80 ILE  MG2         107 ALA  HA          4.50    (#   1994:25  Unique         4.51, 5.21 A)
 &rst
  ixpk= 1994, nxpk= 25, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1215,1216,1217,
 &end
#
#  108 ALA  MB          108 ALA  HA          2.50    (#   1996:25  Unique         2.41, 2.65 A)
 &rst
  ixpk= 1996, nxpk= 25, iat=  -1,1638, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1640,1641,1642,
 &end
#
#   48 TYR  HB+          23 VAL  MGY         3.50    (#   2008:25  Unique         2.42, 4.04 A)
 &rst
  ixpk= 2008, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 727, 728,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:2009    23 VAL  MGY         2.50    (#   2009:25  Single Ambig)
 &rst
  ixpk= 2009, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 336, 322, 323,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   46 ALA  MB           23 VAL  MGY         4.50    (#   2010:25  Unique         2.45, 5.07 A)
 &rst
  ixpk= 2010, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 706, 707, 708,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   77 ASN  HB+          25 VAL  MGY         5.50    (#   2013:25  Unique         5.49, 7.99 A)
 &rst
  ixpk= 2013, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1163,1164,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:2014    25 VAL  MGY         2.50    (#   2014:25  Single Ambig)
 &rst
  ixpk= 2014, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 368, 559,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   76 PRO  HB-          25 VAL  MGY         4.50    (#   2015:25  Unique         2.33, 4.70 A)
 &rst
  ixpk= 2015, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1152,1153,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:2017    25 VAL  MGY         2.50    (#   2017:25  Single Ambig)
 &rst
  ixpk= 2017, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1179,1180,1181,1183,1184,1185, 338, 339, 340, 342,
       343, 344,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   41 LEU  MDY          25 VAL  MGY         2.50    (#   2019:25  Unique         2.28, 5.72 A)
 &rst
  ixpk= 2019, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:2021    70 THR  MG2         3.50    (#   2021:25  Single Ambig)
 &rst
  ixpk= 2021, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1065, 995,
 igr2=1069,1070,1071,
 &end
#
#   67 ALA  HA           70 THR  MG2         5.50    (#   2022:25  Unique         4.95, 6.05 A)
 &rst
  ixpk= 2022, nxpk= 25, iat=1014,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1069,1070,1071,
 &end
#
#    0 AMB  25-2:2023    70 THR  MG2         3.50    (#   2023:25  Single Ambig)
 &rst
  ixpk= 2023, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1043,1044,1043,1044,
 igr2=1069,1070,1071,
 &end
#
#    0 AMB  25-2:2024    70 THR  MG2         5.50    (#   2024:25  Single Ambig)
 &rst
  ixpk= 2024, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=1094,1095,1266, 384, 385,
 igr2=1069,1070,1071,
 &end
#
#   84 GLN  HG-          70 THR  MG2         3.50    (#   2025:25  Unique         2.32, 3.75 A)
 &rst
  ixpk= 2025, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1271,1272,
 igr2=1069,1070,1071,
 &end
#
#   84 GLN  HG+          70 THR  MG2         3.50    (#   2026:25  Unique         2.32, 3.75 A)
 &rst
  ixpk= 2026, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1271,1272,
 igr2=1069,1070,1071,
 &end
#
#   84 GLN  HB-          70 THR  MG2         5.50    (#   2027:25  Unique         2.75, 4.58 A)
 &rst
  ixpk= 2027, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1268,1269,
 igr2=1069,1070,1071,
 &end
#
#   66 LEU  MDY          70 THR  MG2         5.50    (#   2028:25  Unique         2.30, 4.85 A)
 &rst
  ixpk= 2028, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2=1069,1070,1071,
 &end
#
#    0 AMB  25-2:2029   109 ALA  HA          4.50    (#   2029:25  Single Ambig)
 &rst
  ixpk= 2029, nxpk= 25, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 716, 717, 716, 717,
 &end
#
#   22 PRO  HB+         109 ALA  HA          4.50    (#   2030:25  Unique         2.71, 3.46 A)
 &rst
  ixpk= 2030, nxpk= 25, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 325, 326,
 &end
#
#   22 PRO  HB-         109 ALA  HA          4.50    (#   2031:25  Unique         2.71, 3.46 A)
 &rst
  ixpk= 2031, nxpk= 25, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 325, 326,
 &end
#
#   22 PRO  HG+         109 ALA  HA          5.50    (#   2032:25  Unique         2.50, 2.74 A)
 &rst
  ixpk= 2032, nxpk= 25, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 322, 323,
 &end
#
#  109 ALA  MB          109 ALA  HA          2.50    (#   2033:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 2033, nxpk= 25, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1650,1651,1652,
 &end
#
#  104 LEU  MDX         109 ALA  HA          7.00    (#   2034:25  Unique         4.94, 6.71 A)
 &rst
  ixpk= 2034, nxpk= 25, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1587,1588,1589,1591,1592,1593,
 &end
#
#   81 GLY  HA-         107 ALA  HA          5.50    (#   2035:25  Unique         3.33, 3.98 A)
 &rst
  ixpk= 2035, nxpk= 25, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1230,1231,
 &end
#
#  107 ALA  MB          107 ALA  HA          2.50    (#   2036:25  Unique         2.45, 2.66 A)
 &rst
  ixpk= 2036, nxpk= 25, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1630,1631,1632,
 &end
#
#  104 LEU  HA          107 ALA  HA          5.50    (#   2038:25  Unique         5.28, 5.39 A)
 &rst
  ixpk= 2038, nxpk= 25, iat=1580,1628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89 ASP  HA           92 VAL  MGX         4.50    (#   2042:25  Unique         2.11, 4.55 A)
 &rst
  ixpk= 2042, nxpk= 25, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#    0 AMB  25-2:2043    92 VAL  MGX         5.50    (#   2043:25  Single Ambig)
 &rst
  ixpk= 2043, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1339,1439,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   92 VAL  HA           92 VAL  MGX         3.50    (#   2044:25  Unique         2.47, 3.21 A)
 &rst
  ixpk= 2044, nxpk= 25, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   36 ARG  HD+          92 VAL  MGX         5.50    (#   2045:25  Unique         2.42, 5.28 A)
 &rst
  ixpk= 2045, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 541, 542,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   96 GLN  HG-          92 VAL  MGX         4.50    (#   2046:25  Unique         2.96, 5.78 A)
 &rst
  ixpk= 2046, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1444,1445,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   96 GLN  HG+          92 VAL  MGX         4.50    (#   2047:25  Unique         2.96, 5.78 A)
 &rst
  ixpk= 2047, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1444,1445,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#    0 AMB  25-2:2048    92 VAL  MGX         2.50    (#   2048:25  Single Ambig)
 &rst
  ixpk= 2048, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1371,1387,1388, 535, 536,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   40 LEU  MDY          92 VAL  MGX         5.50    (#   2049:25  Unique         2.30, 5.01 A)
 &rst
  ixpk= 2049, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   40 LEU  MDX          92 VAL  MGX         4.50    (#   2050:25  Unique         2.30, 5.01 A)
 &rst
  ixpk= 2050, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   40 LEU  HG           92 VAL  MGX         4.50    (#   2051:25  Unique         4.61, 6.47 A)
 &rst
  ixpk= 2051, nxpk= 25, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   44 VAL  HA           44 VAL  MGY         2.50    (#   2052:25  Unique         2.37, 3.50 A)
 &rst
  ixpk= 2052, nxpk= 25, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  25-2:2053    44 VAL  MGY         4.50    (#   2053:25  Single Ambig)
 &rst
  ixpk= 2053, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 612, 664,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   41 LEU  HA           44 VAL  MGY         4.50    (#   2054:25  Unique         2.08, 4.08 A)
 &rst
  ixpk= 2054, nxpk= 25, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   44 VAL  HB           44 VAL  MGY         2.50    (#   2055:25  Unique         2.39, 2.65 A)
 &rst
  ixpk= 2055, nxpk= 25, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  25-2:2056    44 VAL  MGY         4.50    (#   2056:25  Single Ambig)
 &rst
  ixpk= 2056, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1=1587,1588,1589,1591,1592,1593,1533,1530,1531,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   46 ALA  MB           44 VAL  MGY         3.50    (#   2057:25  Unique         2.32, 5.39 A)
 &rst
  ixpk= 2057, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 706, 707, 708,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   76 PRO  HB+          25 VAL  MGY         5.50    (#   2058:25  Unique         2.33, 4.70 A)
 &rst
  ixpk= 2058, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1152,1153,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   38 LYS  HA           25 VAL  MGY         5.50    (#   2059:25  Unique         3.79, 5.37 A)
 &rst
  ixpk= 2059, nxpk= 25, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   48 TYR  HB+          25 VAL  MGY         4.50    (#   2060:25  Unique         2.58, 5.86 A)
 &rst
  ixpk= 2060, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 727, 728,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   48 TYR  HB-          25 VAL  MGY         4.50    (#   2061:25  Unique         2.58, 5.86 A)
 &rst
  ixpk= 2061, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 727, 728,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   23 VAL  HB           25 VAL  MGY         5.50    (#   2062:25  Unique         4.58, 7.04 A)
 &rst
  ixpk= 2062, nxpk= 25, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:2063    25 VAL  MGY         4.50    (#   2063:25  Single Ambig)
 &rst
  ixpk= 2063, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 581, 582, 636,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:2066    46 ALA  MB          5.50    (#   2066:25  Single Ambig)
 &rst
  ixpk= 2066, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 697, 698,1528,
 igr2= 706, 707, 708,
 &end
#
#    0 AMB  25-2:2067    46 ALA  MB          4.50    (#   2067:25  Single Ambig)
 &rst
  ixpk= 2067, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 727, 728, 683,
 igr2= 706, 707, 708,
 &end
#
#   23 VAL  MGX          46 ALA  MB          3.50    (#   2068:25  Unique         2.45, 5.07 A)
 &rst
  ixpk= 2068, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2= 706, 707, 708,
 &end
#
#   41 LEU  MDY          46 ALA  MB          4.50    (#   2069:25  Unique         2.58, 4.90 A)
 &rst
  ixpk= 2069, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 706, 707, 708,
 &end
#
#   95 HIS  HB+          92 VAL  MGX         5.50    (#   2070:25  Unique         4.09, 5.83 A)
 &rst
  ixpk= 2070, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1424,1425,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   81 GLY  HA-          23 VAL  MGY         5.50    (#   2072:25  Unique         5.89, 7.83 A)
 &rst
  ixpk= 2072, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1230,1231,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   27 SER  HB+          25 VAL  MGX         3.50    (#   2074:25  Unique         2.15, 5.83 A)
 &rst
  ixpk= 2074, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 404, 405,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:2076    25 VAL  MGX         2.50    (#   2076:25  Single Ambig)
 &rst
  ixpk= 2076, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 368, 559,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:2077     0 AMB  25-1:2077   4.50    (#   2077:25  Double Ambig)
 &rst
  ixpk= 2077, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 508,1146,1147,
 igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   88 CYS  HA           78 VAL  MGY         5.50    (#   2078:25  Unique         3.64, 5.65 A)
 &rst
  ixpk= 2078, nxpk= 25, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   87 GLY  HA-          78 VAL  MGY         5.50    (#   2079:25  Unique         2.30, 5.78 A)
 &rst
  ixpk= 2079, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1309,1310,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   26 PHE  HB+          25 VAL  MGX         4.50    (#   2080:25  Unique         5.05, 7.40 A)
 &rst
  ixpk= 2080, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 384, 385,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:2081     0 AMB  25-1:2081   3.50    (#   2081:25  Double Ambig)
 &rst
  ixpk= 2081, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1152,1153,1152,1153,
 igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   38 LYS  HG+          25 VAL  MGX         4.50    (#   2082:25  Unique         2.87, 4.91 A)
 &rst
  ixpk= 2082, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 578, 579,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   41 LEU  MDX           0 AMB  25-1:2083   4.50    (#   2083:25  Single Ambig)
 &rst
  ixpk= 2083, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   24 VAL  MGX          25 VAL  MGX         5.50    (#   2085:25  Unique         5.24, 7.68 A)
 &rst
  ixpk= 2085, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   41 LEU  MDY           0 AMB  25-1:2086   3.50    (#   2086:25  Single Ambig)
 &rst
  ixpk= 2086, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#  114 PRO  HD-         111 ALA  HA          5.50    (#   2089:25  Unique         2.40, 5.75 A)
 &rst
  ixpk= 2089, nxpk= 25, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1717,1718,
 &end
#
#    0 AMB  25-2:2090     0 AMB  25-1:2090   2.50    (#   2090:25  Double Ambig)
 &rst
  ixpk= 2090, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1734,1735,1736,1674,1675,1676,
 igr2=1732,1672,
 &end
#
#    0 AMB  25-2:2095    21 ALA  MB          2.50    (#   2095:25  Single Ambig)
 &rst
  ixpk= 2095, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 319, 320, 319, 320,
 igr2= 312, 313, 314,
 &end
#
#    0 AMB  25-2:2096    21 ALA  MB          5.50    (#   2096:25  Single Ambig)
 &rst
  ixpk= 2096, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 727, 728, 757, 758,
 igr2= 312, 313, 314,
 &end
#
#   22 PRO  HG-          21 ALA  MB          3.50    (#   2097:25  Unique         3.82, 5.27 A)
 &rst
  ixpk= 2097, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 322, 323,
 igr2= 312, 313, 314,
 &end
#
#   22 PRO  HG+          21 ALA  MB          5.50    (#   2098:25  Unique         3.82, 5.27 A)
 &rst
  ixpk= 2098, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 322, 323,
 igr2= 312, 313, 314,
 &end
#
#   49 LYS  HB+          21 ALA  MB          3.50    (#   2099:25  Unique         2.31, 2.96 A)
 &rst
  ixpk= 2099, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 748, 749,
 igr2= 312, 313, 314,
 &end
#
#   49 LYS  QD           21 ALA  MB          3.50    (#   2100:25  Unique         2.85, 4.29 A)
 &rst
  ixpk= 2100, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 754, 755,
 igr2= 312, 313, 314,
 &end
#
#   20 SER  HA           21 ALA  MB          5.50    (#   2101:25  Unique         5.12, 5.73 A)
 &rst
  ixpk= 2101, nxpk= 25, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 312, 313, 314,
 &end
#
#   49 LYS  HE-          21 ALA  MB          5.50    (#   2102:25  Unique         5.36, 6.36 A)
 &rst
  ixpk= 2102, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 757, 758,
 igr2= 312, 313, 314,
 &end
#
#    0 AMB  25-2:2103    21 ALA  MB          5.50    (#   2103:25  Single Ambig)
 &rst
  ixpk= 2103, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 727, 728, 325, 326,
 igr2= 312, 313, 314,
 &end
#
#   24 VAL  MGY          21 ALA  MB          2.50    (#   2104:25  Unique         2.26, 5.19 A)
 &rst
  ixpk= 2104, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 312, 313, 314,
 &end
#
#   24 VAL  MGX          21 ALA  MB          5.50    (#   2105:25  Unique         2.26, 5.19 A)
 &rst
  ixpk= 2105, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 312, 313, 314,
 &end
#
#   22 PRO  HA           21 ALA  MB          4.50    (#   2106:25  Unique         4.97, 5.46 A)
 &rst
  ixpk= 2106, nxpk= 25, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 312, 313, 314,
 &end
#
#    0 AMB  25-2:2107    46 ALA  MB          5.50    (#   2107:25  Single Ambig)
 &rst
  ixpk= 2107, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1658,1648,
 igr2= 706, 707, 708,
 &end
#
#    0 AMB  25-2:2108    46 ALA  MB          2.50    (#   2108:25  Single Ambig)
 &rst
  ixpk= 2108, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 633, 634, 685, 686, 687, 689, 690, 691, 685, 686,
       687, 689, 690, 691, 338, 339, 340, 342, 343, 344,
      
 igr2= 706, 707, 708,
 &end
#
#  104 LEU  MDX          46 ALA  MB          2.50    (#   2109:25  Unique         2.22, 3.93 A)
 &rst
  ixpk= 2109, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1587,1588,1589,1591,1592,1593,
 igr2= 706, 707, 708,
 &end
#
#   41 LEU  MDX          46 ALA  MB          3.50    (#   2110:25  Unique         2.58, 4.90 A)
 &rst
  ixpk= 2110, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 706, 707, 708,
 &end
#
#   48 TYR  HB+          46 ALA  MB          5.50    (#   2111:25  Unique         3.20, 5.03 A)
 &rst
  ixpk= 2111, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 727, 728,
 igr2= 706, 707, 708,
 &end
#
#    0 AMB  25-2:2112    46 ALA  MB          4.50    (#   2112:25  Single Ambig)
 &rst
  ixpk= 2112, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1650,1651,1652, 636,
 igr2= 706, 707, 708,
 &end
#
#   78 VAL  HB           78 VAL  MGY         2.50    (#   2114:25  Unique         2.42, 2.67 A)
 &rst
  ixpk= 2114, nxpk= 25, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   76 PRO  HB-           0 AMB  25-1:2115   3.50    (#   2115:25  Single Ambig)
 &rst
  ixpk= 2115, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1152,1153,
 igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   80 ILE  HG1-         78 VAL  MGY         4.50    (#   2116:25  Unique         2.43, 5.49 A)
 &rst
  ixpk= 2116, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1219,1220,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   41 LEU  HB+          25 VAL  MGX         4.50    (#   2117:25  Unique         4.31, 6.68 A)
 &rst
  ixpk= 2117, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 633, 634,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   79 PHE  HB+          24 VAL  MGX         5.50    (#   2120:25  Unique         3.70, 5.10 A)
 &rst
  ixpk= 2120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1193,1194,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:2121    24 VAL  MGX         5.50    (#   2121:25  Single Ambig)
 &rst
  ixpk= 2121, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 301, 302, 784,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   18 ALA  HA           24 VAL  MGX         3.50    (#   2122:25  Unique         2.20, 3.29 A)
 &rst
  ixpk= 2122, nxpk= 25, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   17 LEU  HB+          24 VAL  MGX         5.50    (#   2123:25  Unique         2.87, 5.31 A)
 &rst
  ixpk= 2123, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 261, 262,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   24 VAL  HB           24 VAL  MGX         3.50    (#   2125:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 2125, nxpk= 25, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   49 LYS  QD           24 VAL  MGX         4.50    (#   2126:25  Unique         2.39, 4.47 A)
 &rst
  ixpk= 2126, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 754, 755,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   51 VAL  MGX          24 VAL  MGX         3.50    (#   2130:25  Unique         2.50, 6.46 A)
 &rst
  ixpk= 2130, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#  104 LEU  MDY         109 ALA  MB          5.50    (#   2133:25  Unique         2.40, 4.55 A)
 &rst
  ixpk= 2133, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1587,1588,1589,1591,1592,1593,
 igr2=1650,1651,1652,
 &end
#
#   46 ALA  MB          109 ALA  MB          3.50    (#   2135:25  Unique         2.47, 4.46 A)
 &rst
  ixpk= 2135, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 706, 707, 708,
 igr2=1650,1651,1652,
 &end
#
#   41 LEU  MDX         109 ALA  MB          5.50    (#   2136:25  Unique         4.78, 7.46 A)
 &rst
  ixpk= 2136, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2=1650,1651,1652,
 &end
#
#    0 AMB  25-2:2139    24 VAL  MGX         5.50    (#   2139:25  Single Ambig)
 &rst
  ixpk= 2139, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 757, 758, 384, 385,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   49 LYS  HE+          24 VAL  MGX         5.50    (#   2140:25  Unique         3.70, 5.62 A)
 &rst
  ixpk= 2140, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 757, 758,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   25 VAL  HB           24 VAL  MGX         5.50    (#   2141:25  Unique         5.16, 6.77 A)
 &rst
  ixpk= 2141, nxpk= 25, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:2142    24 VAL  MGX         4.50    (#   2142:25  Single Ambig)
 &rst
  ixpk= 2142, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 312, 313, 314, 751, 752,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#  109 ALA  HA          109 ALA  MB          2.50    (#   2145:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 2145, nxpk= 25, iat=1648,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1650,1651,1652,
 &end
#
#  104 LEU  HA          109 ALA  MB          4.50    (#   2146:25  Unique         2.62, 3.56 A)
 &rst
  ixpk= 2146, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1650,1651,1652,
 &end
#
#   22 PRO  HB+         109 ALA  MB          4.50    (#   2148:25  Unique         2.29, 4.20 A)
 &rst
  ixpk= 2148, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 325, 326,
 igr2=1650,1651,1652,
 &end
#
#    0 AMB  25-2:2149   109 ALA  MB          3.50    (#   2149:25  Single Ambig)
 &rst
  ixpk= 2149, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 325, 326,1582,1583,
 igr2=1650,1651,1652,
 &end
#
#  110 THR  MG2         109 ALA  MB          4.50    (#   2150:25  Unique         2.68, 5.03 A)
 &rst
  ixpk= 2150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1662,1663,1664,
 igr2=1650,1651,1652,
 &end
#
#   23 VAL  MGX         109 ALA  MB          3.50    (#   2151:25  Unique         2.21, 4.57 A)
 &rst
  ixpk= 2151, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2=1650,1651,1652,
 &end
#
#  104 LEU  MDX         109 ALA  MB          4.50    (#   2152:25  Unique         2.40, 4.55 A)
 &rst
  ixpk= 2152, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1587,1588,1589,1591,1592,1593,
 igr2=1650,1651,1652,
 &end
#
#   81 GLY  HA+         107 ALA  MB          3.50    (#   2158:25  Unique         2.60, 3.90 A)
 &rst
  ixpk= 2158, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1230,1231,
 igr2=1630,1631,1632,
 &end
#
#    0 AMB  25-2:2160   107 ALA  MB          4.50    (#   2160:25  Single Ambig)
 &rst
  ixpk= 2160, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 322, 323, 336,
 igr2=1630,1631,1632,
 &end
#
#    0 AMB  25-2:2161   107 ALA  MB          4.50    (#   2161:25  Single Ambig)
 &rst
  ixpk= 2161, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1566, 322, 323,
 igr2=1630,1631,1632,
 &end
#
#    0 AMB  25-2:2163   107 ALA  MB          3.50    (#   2163:25  Single Ambig)
 &rst
  ixpk= 2163, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1587,1588,1589,1591,1592,1593,1222,1223,1224,
 igr2=1630,1631,1632,
 &end
#
#   44 VAL  HB           44 VAL  MGX         2.50    (#   2170:25  Unique         2.39, 2.65 A)
 &rst
  ixpk= 2170, nxpk= 25, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  25-2:2171    44 VAL  MGX         4.50    (#   2171:25  Single Ambig)
 &rst
  ixpk= 2171, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 636, 614, 615,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#  104 LEU  HB-          44 VAL  MGX         4.50    (#   2172:25  Unique         4.23, 6.11 A)
 &rst
  ixpk= 2172, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1582,1583,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   41 LEU  MDX          44 VAL  MGX         4.50    (#   2173:25  Unique         2.99, 7.13 A)
 &rst
  ixpk= 2173, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   41 LEU  MDY          44 VAL  MGX         5.50    (#   2174:25  Unique         2.99, 7.13 A)
 &rst
  ixpk= 2174, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   44 VAL  HA           44 VAL  MGX         3.50    (#   2175:25  Unique         2.37, 3.50 A)
 &rst
  ixpk= 2175, nxpk= 25, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   45 GLY  HA+          44 VAL  MGX         4.50    (#   2176:25  Unique         4.67, 6.36 A)
 &rst
  ixpk= 2176, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 697, 698,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   41 LEU  HA           44 VAL  MGX         3.50    (#   2177:25  Unique         2.08, 4.08 A)
 &rst
  ixpk= 2177, nxpk= 25, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#  104 LEU  HB+          44 VAL  MGX         5.50    (#   2178:25  Unique         4.23, 6.11 A)
 &rst
  ixpk= 2178, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1582,1583,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  25-2:2179    44 VAL  MGX         4.50    (#   2179:25  Single Ambig)
 &rst
  ixpk= 2179, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1=1587,1588,1589,1591,1592,1593,1533,1530,1531,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   46 ALA  MB           44 VAL  MGX         2.50    (#   2180:25  Unique         2.32, 5.39 A)
 &rst
  ixpk= 2180, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 706, 707, 708,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#  101 LEU  MDX          44 VAL  MGX         3.50    (#   2181:25  Unique         2.19, 5.45 A)
 &rst
  ixpk= 2181, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1535,1536,1537,1539,1540,1541,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  25-2:2185    51 VAL  MGX         5.50    (#   2185:25  Single Ambig)
 &rst
  ixpk= 2185, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 940, 941, 195, 196,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:2186    51 VAL  MGX         3.50    (#   2186:25  Single Ambig)
 &rst
  ixpk= 2186, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 784, 815,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   18 ALA  HA           51 VAL  MGX         5.50    (#   2187:25  Unique         5.06, 7.30 A)
 &rst
  ixpk= 2187, nxpk= 25, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   49 LYS  HE-          51 VAL  MGX         4.50    (#   2188:25  Unique         2.19, 4.89 A)
 &rst
  ixpk= 2188, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 757, 758,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   49 LYS  HE+          51 VAL  MGX         4.50    (#   2189:25  Unique         2.19, 4.89 A)
 &rst
  ixpk= 2189, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 757, 758,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:2190    51 VAL  MGX         4.50    (#   2190:25  Single Ambig)
 &rst
  ixpk= 2190, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 261, 262, 820,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:2191    51 VAL  MGX         5.50    (#   2191:25  Single Ambig)
 &rst
  ixpk= 2191, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1= 940, 941, 368, 805, 806,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:2192    51 VAL  MGX         5.50    (#   2192:25  Single Ambig)
 &rst
  ixpk= 2192, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1= 266, 267, 268, 270, 271, 272, 866,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   51 VAL  HB           51 VAL  MGX         2.50    (#   2193:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 2193, nxpk= 25, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   49 LYS  QD           51 VAL  MGX         4.50    (#   2194:25  Unique         2.58, 6.05 A)
 &rst
  ixpk= 2194, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 754, 755,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   49 LYS  HG-          51 VAL  MGX         4.50    (#   2195:25  Unique         2.65, 5.79 A)
 &rst
  ixpk= 2195, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 751, 752,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:2196    51 VAL  MGX         3.50    (#   2196:25  Single Ambig)
 &rst
  ixpk= 2196, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 822, 823, 824, 826, 827, 828, 261, 262,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   24 VAL  MGX          51 VAL  MGX         3.50    (#   2198:25  Unique         2.50, 6.46 A)
 &rst
  ixpk= 2198, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#  106 ASP  HB-         107 ALA  MB          5.50    (#   2200:25  Unique         4.19, 5.83 A)
 &rst
  ixpk= 2200, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1618,1619,
 igr2=1630,1631,1632,
 &end
#
#   80 ILE  HG1+        107 ALA  MB          5.50    (#   2202:25  Unique         5.36, 6.13 A)
 &rst
  ixpk= 2202, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1219,1220,
 igr2=1630,1631,1632,
 &end
#
#  111 ALA  HA          111 ALA  MB          2.50    (#   2203:25  Unique         2.43, 2.66 A)
 &rst
  ixpk= 2203, nxpk= 25, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1674,1675,1676,
 &end
#
#    0 AMB  25-2:2204   111 ALA  MB          5.50    (#   2204:25  Single Ambig)
 &rst
  ixpk= 2204, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1717,1718,1717,1718,
 igr2=1674,1675,1676,
 &end
#
#  107 ALA  HA          107 ALA  MB          2.50    (#   2206:25  Unique         2.45, 2.66 A)
 &rst
  ixpk= 2206, nxpk= 25, iat=1628,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1630,1631,1632,
 &end
#
#  104 LEU  HA          107 ALA  MB          4.50    (#   2207:25  Unique         2.49, 3.52 A)
 &rst
  ixpk= 2207, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1630,1631,1632,
 &end
#
#  106 ASP  HB+         107 ALA  MB          5.50    (#   2208:25  Unique         4.19, 5.83 A)
 &rst
  ixpk= 2208, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1618,1619,
 igr2=1630,1631,1632,
 &end
#
#   22 PRO  HB+         107 ALA  MB          4.50    (#   2209:25  Unique         2.64, 4.19 A)
 &rst
  ixpk= 2209, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 325, 326,
 igr2=1630,1631,1632,
 &end
#
#   23 VAL  MGX         107 ALA  MB          4.50    (#   2210:25  Unique         4.11, 6.36 A)
 &rst
  ixpk= 2210, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2=1630,1631,1632,
 &end
#
#   80 ILE  MG2         107 ALA  MB          2.50    (#   2211:25  Unique         2.26, 3.21 A)
 &rst
  ixpk= 2211, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=1215,1216,1217,
 igr2=1630,1631,1632,
 &end
#
#  106 ASP  HB-         107 ALA  MB          5.50    (#   2212:25  Unique         4.19, 5.83 A)
 &rst
  ixpk= 2212, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1618,1619,
 igr2=1630,1631,1632,
 &end
#
#  113 ASN  HB-         114 PRO  HD-         5.50    (#   2213:25  Unique         2.20, 4.62 A)
 &rst
  ixpk= 2213, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1706,1707,
 igr2=1717,1718,
 &end
#
#  113 ASN  HB-         114 PRO  HD+         5.50    (#   2214:25  Unique         2.20, 4.62 A)
 &rst
  ixpk= 2214, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1706,1707,
 igr2=1717,1718,
 &end
#
#   80 ILE  HG1+        107 ALA  MB          5.50    (#   2216:25  Unique         5.36, 6.13 A)
 &rst
  ixpk= 2216, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1219,1220,
 igr2=1630,1631,1632,
 &end
#
#    0 AMB  25-2:2217    10 ALA  MB          2.50    (#   2217:25  Single Ambig)
 &rst
  ixpk= 2217, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 139,  98,
 igr2= 141, 142, 143,
 &end
#
#    0 AMB  25-2:2218    10 ALA  MB          4.50    (#   2218:25  Single Ambig)
 &rst
  ixpk= 2218, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 149, 212,
 igr2= 141, 142, 143,
 &end
#
#   61 GLN  HG-          10 ALA  MB          4.50    (#   2219:25  Unique         2.55, 5.78 A)
 &rst
  ixpk= 2219, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 926, 927,
 igr2= 141, 142, 143,
 &end
#
#   61 GLN  HG+          10 ALA  MB          4.50    (#   2220:25  Unique         2.55, 5.78 A)
 &rst
  ixpk= 2220, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 926, 927,
 igr2= 141, 142, 143,
 &end
#
#   61 GLN  HB+          10 ALA  MB          4.50    (#   2221:25  Unique         2.31, 3.77 A)
 &rst
  ixpk= 2221, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 923, 924,
 igr2= 141, 142, 143,
 &end
#
#   61 GLN  HB-          10 ALA  MB          3.50    (#   2222:25  Unique         2.31, 3.77 A)
 &rst
  ixpk= 2222, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 923, 924,
 igr2= 141, 142, 143,
 &end
#
#   62 LEU  MDX          10 ALA  MB          4.50    (#   2223:25  Unique         2.28, 5.06 A)
 &rst
  ixpk= 2223, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2= 141, 142, 143,
 &end
#
#    0 AMB  25-2:2224    10 ALA  MB          4.50    (#   2224:25  Single Ambig)
 &rst
  ixpk= 2224, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 151, 152, 100, 101, 198, 199,
 igr2= 141, 142, 143,
 &end
#
#   62 LEU  MDY          10 ALA  MB          2.50    (#   2225:25  Unique         2.28, 5.06 A)
 &rst
  ixpk= 2225, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2= 141, 142, 143,
 &end
#
#   33 TYR  HB+          76 PRO  HD-         5.50    (#   2227:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 2227, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 489, 490,
 igr2=1146,1147,
 &end
#
#   37 VAL  MGY          76 PRO  HD-         5.50    (#   2228:25  Unique         4.39, 6.20 A)
 &rst
  ixpk= 2228, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2=1146,1147,
 &end
#
#  114 PRO  HA          114 PRO  HD-         5.50    (#   2229:25  Unique         3.34, 3.76 A)
 &rst
  ixpk= 2229, nxpk= 25, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1717,1718,
 &end
#
#  114 PRO  HB-         114 PRO  HD-         4.50    (#   2231:25  Unique         2.76, 3.68 A)
 &rst
  ixpk= 2231, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1723,1724,
 igr2=1717,1718,
 &end
#
#  114 PRO  QG          114 PRO  HD-         2.50    (#   2232:25  Unique         2.29, 2.61 A)
 &rst
  ixpk= 2232, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1720,1721,
 igr2=1717,1718,
 &end
#
#   22 PRO  HA           22 PRO  HD-         5.50    (#   2233:25  Unique         3.42, 3.77 A)
 &rst
  ixpk= 2233, nxpk= 25, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 319, 320,
 &end
#
#   22 PRO  HG-          22 PRO  HD-         4.50    (#   2234:25  Unique         2.34, 2.61 A)
 &rst
  ixpk= 2234, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 322, 323,
 igr2= 319, 320,
 &end
#
#   21 ALA  MB           22 PRO  HD-         3.50    (#   2235:25  Unique         2.12, 3.70 A)
 &rst
  ixpk= 2235, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 312, 313, 314,
 igr2= 319, 320,
 &end
#
#   22 PRO  HB+          22 PRO  HD+         5.50    (#   2236:25  Unique         2.79, 3.66 A)
 &rst
  ixpk= 2236, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 325, 326,
 igr2= 319, 320,
 &end
#
#   21 ALA  MB           22 PRO  HD+         3.50    (#   2237:25  Unique         2.12, 3.70 A)
 &rst
  ixpk= 2237, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 312, 313, 314,
 igr2= 319, 320,
 &end
#
#   22 PRO  HG-          22 PRO  HD+         4.50    (#   2239:25  Unique         2.34, 2.61 A)
 &rst
  ixpk= 2239, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 322, 323,
 igr2= 319, 320,
 &end
#
#  114 PRO  QG          114 PRO  HD+         2.50    (#   2240:25  Unique         2.29, 2.61 A)
 &rst
  ixpk= 2240, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1720,1721,
 igr2=1717,1718,
 &end
#
#  111 ALA  HA          114 PRO  HD+         5.50    (#   2241:25  Unique         2.40, 5.75 A)
 &rst
  ixpk= 2241, nxpk= 25, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1717,1718,
 &end
#
#  114 PRO  HB-         114 PRO  HD+         4.50    (#   2242:25  Unique         2.76, 3.68 A)
 &rst
  ixpk= 2242, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1723,1724,
 igr2=1717,1718,
 &end
#
#    0 AMB  25-2:2245    76 PRO  HD-         3.50    (#   2245:25  Single Ambig)
 &rst
  ixpk= 2245, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1149,1150,1152,1153,
 igr2=1146,1147,
 &end
#
#   37 VAL  MGY          76 PRO  HD-         5.50    (#   2246:25  Unique         4.39, 6.20 A)
 &rst
  ixpk= 2246, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2=1146,1147,
 &end
#
#   33 TYR  HB-          76 PRO  HD+         5.50    (#   2247:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 2247, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 489, 490,
 igr2=1146,1147,
 &end
#
#   76 PRO  HD-          75 VAL  MGX         5.50    (#   2249:25  Unique         4.12, 6.15 A)
 &rst
  ixpk= 2249, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1146,1147,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#  101 LEU  MDX         102 PRO  HD-         5.50    (#   2250:25  Unique         2.43, 5.45 A)
 &rst
  ixpk= 2250, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1535,1536,1537,1539,1540,1541,
 igr2=1546,1547,
 &end
#
#    0 AMB  25-2:2257     9 ALA  MB          2.50    (#   2257:25  Single Ambig)
 &rst
  ixpk= 2257, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  83, 129,
 igr2= 131, 132, 133,
 &end
#
#    8 ASP  HB+           9 ALA  MB          5.50    (#   2259:25  Unique         4.39, 5.92 A)
 &rst
  ixpk= 2259, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 119, 120,
 igr2= 131, 132, 133,
 &end
#
#    0 AMB  25-2:2260     0 AMB  25-1:2260   5.50    (#   2260:25  Double Ambig)
 &rst
  ixpk= 2260, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 962, 963,  71,  72,
 igr2=1016,1017,1018, 131, 132, 133,
 &end
#
#    0 AMB  25-2:2261     0 AMB  25-1:2261   3.50    (#   2261:25  Double Ambig)
 &rst
  ixpk= 2261, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 945, 946, 947, 949, 950, 951, 170, 171,
 igr2= 987, 988, 989, 131, 132, 133,
 &end
#
#    8 ASP  HB-           9 ALA  MB          5.50    (#   2263:25  Unique         4.39, 5.92 A)
 &rst
  ixpk= 2263, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 119, 120,
 igr2= 131, 132, 133,
 &end
#
#    0 AMB  25-2:2264     0 AMB  25-1:2264   4.50    (#   2264:25  Double Ambig)
 &rst
  ixpk= 2264, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1=  88,  89, 923, 924, 959, 960,
 igr2= 131, 132, 133, 987, 988, 989,1016,1017,1018,
 &end
#
#    0 AMB  25-2:2265     0 AMB  25-1:2265   3.50    (#   2265:25  Double Ambig)
 &rst
  ixpk= 2265, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 997, 998,  85,  86, 997, 998,  68,  69,
 igr2= 987, 988, 989, 131, 132, 133,1016,1017,1018,
 &end
#
#   11 LEU  HA           65 ALA  MB          2.50    (#   2267:25  Unique         2.19, 3.09 A)
 &rst
  ixpk= 2267, nxpk= 25, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 987, 988, 989,
 &end
#
#   67 ALA  HA           67 ALA  MB          2.50    (#   2268:25  Unique         2.43, 2.68 A)
 &rst
  ixpk= 2268, nxpk= 25, iat=1014,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1016,1017,1018,
 &end
#
#    0 AMB  25-2:2269     0 AMB  25-1:2269   3.50    (#   2269:25  Double Ambig)
 &rst
  ixpk= 2269, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1043,1044,1026,1027,1026,1027,1026,1027,
 igr2= 987, 988, 989,1016,1017,1018,
 &end
#
#    0 AMB  25-2:2270    65 ALA  MB          3.50    (#   2270:25  Single Ambig)
 &rst
  ixpk= 2270, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 945, 946, 947, 949, 950, 951, 156, 157, 158, 160,
       161, 162,
 igr2= 987, 988, 989,
 &end
#
#    0 AMB  25-2:2271    65 ALA  MB          2.50    (#   2271:25  Single Ambig)
 &rst
  ixpk= 2271, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 105, 106, 107, 109, 110, 111, 156, 157, 158, 160,
       161, 162,
 igr2= 987, 988, 989,
 &end
#
#   66 LEU  MDX          65 ALA  MB          4.50    (#   2272:25  Unique         3.33, 6.21 A)
 &rst
  ixpk= 2272, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 987, 988, 989,
 &end
#
#   66 LEU  MDY          65 ALA  MB          4.50    (#   2273:25  Unique         3.33, 6.21 A)
 &rst
  ixpk= 2273, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 987, 988, 989,
 &end
#
#   75 VAL  HA           75 VAL  MGX         3.50    (#   2276:25  Unique         2.29, 3.46 A)
 &rst
  ixpk= 2276, nxpk= 25, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:2277    75 VAL  MGX         5.50    (#   2277:25  Single Ambig)
 &rst
  ixpk= 2277, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1146,1147, 510, 511,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   27 SER  HB+          75 VAL  MGX         5.50    (#   2278:25  Unique         4.64, 6.16 A)
 &rst
  ixpk= 2278, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 404, 405,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:2279    75 VAL  MGX         3.50    (#   2279:25  Single Ambig)
 &rst
  ixpk= 2279, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 424, 425, 424, 425,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   31 CYS  HB-          75 VAL  MGX         5.50    (#   2280:25  Unique         3.39, 6.18 A)
 &rst
  ixpk= 2280, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 473, 472,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   75 VAL  HB           75 VAL  MGX         3.50    (#   2281:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 2281, nxpk= 25, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   28 LYS  HD-          75 VAL  MGX         4.50    (#   2282:25  Unique         2.29, 4.99 A)
 &rst
  ixpk= 2282, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 421, 422,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   28 LYS  QG           75 VAL  MGX         2.50    (#   2283:25  Unique         2.29, 4.26 A)
 &rst
  ixpk= 2283, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 418, 419,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:2285   102 PRO  HD-         4.50    (#   2285:25  Single Ambig)
 &rst
  ixpk= 2285, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1494,1555,
 igr2=1546,1547,
 &end
#
#  102 PRO  HB+         102 PRO  HD-         4.50    (#   2287:25  Unique         2.82, 3.70 A)
 &rst
  ixpk= 2287, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1552,1553,
 igr2=1546,1547,
 &end
#
#  102 PRO  HG-         102 PRO  HD-         3.50    (#   2288:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 2288, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1549,1550,
 igr2=1546,1547,
 &end
#
#  102 PRO  HG+         102 PRO  HD-         3.50    (#   2289:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 2289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1549,1550,
 igr2=1546,1547,
 &end
#
#    0 AMB  25-2:2290   102 PRO  HD-         2.50    (#   2290:25  Single Ambig)
 &rst
  ixpk= 2290, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1530,1531,1552,1553,
 igr2=1546,1547,
 &end
#
#  101 LEU  HA          102 PRO  HD-         5.50    (#   2291:25  Unique         3.98, 4.14 A)
 &rst
  ixpk= 2291, nxpk= 25, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1546,1547,
 &end
#
#    0 AMB  25-2:2293     0 AMB  25-1:2293   4.50    (#   2293:25  Double Ambig)
 &rst
  ixpk= 2293, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1494,1555,
 igr2=1546,1547,1546,1547,
 &end
#
#  101 LEU  HA          102 PRO  HD+         5.50    (#   2294:25  Unique         3.98, 4.14 A)
 &rst
  ixpk= 2294, nxpk= 25, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1546,1547,
 &end
#
#  102 PRO  HB+         102 PRO  HD+         4.50    (#   2296:25  Unique         2.82, 3.70 A)
 &rst
  ixpk= 2296, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1552,1553,
 igr2=1546,1547,
 &end
#
#  102 PRO  HG-         102 PRO  HD+         3.50    (#   2297:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 2297, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1549,1550,
 igr2=1546,1547,
 &end
#
#  102 PRO  HG+         102 PRO  HD+         4.50    (#   2298:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 2298, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1549,1550,
 igr2=1546,1547,
 &end
#
#    0 AMB  25-2:2299     0 AMB  25-1:2299   3.50    (#   2299:25  Double Ambig)
 &rst
  ixpk= 2299, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1530,1531,1552,1553,
 igr2=1546,1547,1546,1547,
 &end
#
#    0 AMB  25-2:2301   108 ALA  MB          5.50    (#   2301:25  Single Ambig)
 &rst
  ixpk= 2301, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 322, 323,1601,1602,
 igr2=1640,1641,1642,
 &end
#
#   82 GLY  HA+          18 ALA  MB          5.50    (#   2308:25  Unique         2.85, 5.13 A)
 &rst
  ixpk= 2308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1237,1238,
 igr2= 280, 281, 282,
 &end
#
#    0 AMB  25-2:2309    18 ALA  MB          4.50    (#   2309:25  Single Ambig)
 &rst
  ixpk= 2309, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 290, 291, 212, 244,
 igr2= 280, 281, 282,
 &end
#
#    0 AMB  25-2:2310    18 ALA  MB          2.50    (#   2310:25  Single Ambig)
 &rst
  ixpk= 2310, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 222, 278,1237,1238,
 igr2= 280, 281, 282,
 &end
#
#   79 PHE  HB+          18 ALA  MB          5.50    (#   2311:25  Unique         3.03, 4.46 A)
 &rst
  ixpk= 2311, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1193,1194,
 igr2= 280, 281, 282,
 &end
#
#   79 PHE  HB-          18 ALA  MB          5.50    (#   2312:25  Unique         3.03, 4.46 A)
 &rst
  ixpk= 2312, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1193,1194,
 igr2= 280, 281, 282,
 &end
#
#   17 LEU  HB+          18 ALA  MB          4.50    (#   2313:25  Unique         4.24, 5.35 A)
 &rst
  ixpk= 2313, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262,
 igr2= 280, 281, 282,
 &end
#
#   24 VAL  HB           18 ALA  MB          4.50    (#   2314:25  Unique         3.97, 4.66 A)
 &rst
  ixpk= 2314, nxpk= 25, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 280, 281, 282,
 &end
#
#    0 AMB  25-2:2315    18 ALA  MB          5.50    (#   2315:25  Single Ambig)
 &rst
  ixpk= 2315, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1268,1269, 233, 234,
 igr2= 280, 281, 282,
 &end
#
#    0 AMB  25-2:2316    18 ALA  MB          3.50    (#   2316:25  Single Ambig)
 &rst
  ixpk= 2316, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 224, 225, 214, 215, 216,
 igr2= 280, 281, 282,
 &end
#
#   15 LYS  HG-          18 ALA  MB          5.50    (#   2318:25  Unique         4.10, 5.54 A)
 &rst
  ixpk= 2318, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 227, 228,
 igr2= 280, 281, 282,
 &end
#
#   66 LEU  MDX          18 ALA  MB          4.50    (#   2319:25  Unique         4.62, 6.99 A)
 &rst
  ixpk= 2319, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 280, 281, 282,
 &end
#
#   24 VAL  MGX          18 ALA  MB          4.50    (#   2320:25  Unique         4.11, 5.61 A)
 &rst
  ixpk= 2320, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 280, 281, 282,
 &end
#
#   15 LYS  HG+          18 ALA  MB          5.50    (#   2321:25  Unique         4.10, 5.54 A)
 &rst
  ixpk= 2321, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 227, 228,
 igr2= 280, 281, 282,
 &end
#
#  103 LEU  HG           80 ILE  MG2         4.50    (#   2322:25  Unique         2.20, 3.38 A)
 &rst
  ixpk= 2322, nxpk= 25, iat=1566,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1215,1216,1217,
 &end
#
#   46 ALA  MB           80 ILE  MG2         5.50    (#   2323:25  Unique         5.95, 7.69 A)
 &rst
  ixpk= 2323, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 706, 707, 708,
 igr2=1215,1216,1217,
 &end
#
#    0 AMB  25-2:2324    80 ILE  MG2         2.50    (#   2324:25  Single Ambig)
 &rst
  ixpk= 2324, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 338, 339, 340, 342, 343, 344,1568,1569,1570,1572,
      1573,1574,1568,1569,1570,1572,1573,1574,
 igr2=1215,1216,1217,
 &end
#
#    0 AMB  25-2:2325    80 ILE  MG2         4.50    (#   2325:25  Single Ambig)
 &rst
  ixpk= 2325, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1230,1231,1561,
 igr2=1215,1216,1217,
 &end
#
#  104 LEU  HA           80 ILE  MG2         4.50    (#   2326:25  Unique         2.66, 3.50 A)
 &rst
  ixpk= 2326, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1215,1216,1217,
 &end
#
#   22 PRO  HB+          80 ILE  MG2         5.50    (#   2327:25  Unique         4.08, 5.87 A)
 &rst
  ixpk= 2327, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 325, 326,
 igr2=1215,1216,1217,
 &end
#
#    0 AMB  25-2:2328    80 ILE  MG2         4.50    (#   2328:25  Single Ambig)
 &rst
  ixpk= 2328, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1563,1564, 325, 326,
 igr2=1215,1216,1217,
 &end
#
#   80 ILE  HB           80 ILE  MG2         3.50    (#   2329:25  Unique         2.36, 2.66 A)
 &rst
  ixpk= 2329, nxpk= 25, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1215,1216,1217,
 &end
#
#    0 AMB  25-2:2330    80 ILE  MG2         2.50    (#   2330:25  Single Ambig)
 &rst
  ixpk= 2330, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1630,1631,1632,1563,1564,
 igr2=1215,1216,1217,
 &end
#
#   80 ILE  HG1+         80 ILE  MG2         3.50    (#   2331:25  Unique         2.60, 3.56 A)
 &rst
  ixpk= 2331, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1219,1220,
 igr2=1215,1216,1217,
 &end
#
#  108 ALA  HA          108 ALA  MB          2.50    (#   2333:25  Unique         2.41, 2.65 A)
 &rst
  ixpk= 2333, nxpk= 25, iat=1638,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1640,1641,1642,
 &end
#
#   22 PRO  HB+         108 ALA  MB          5.50    (#   2334:25  Unique         4.23, 5.81 A)
 &rst
  ixpk= 2334, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 325, 326,
 igr2=1640,1641,1642,
 &end
#
#    0 AMB  25-2:2337    14 ALA  MB          2.50    (#   2337:25  Single Ambig)
 &rst
  ixpk= 2337, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 212, 149,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  25-2:2338    14 ALA  MB          4.50    (#   2338:25  Single Ambig)
 &rst
  ixpk= 2338, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 222, 168,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  25-2:2339    14 ALA  MB          5.50    (#   2339:25  Single Ambig)
 &rst
  ixpk= 2339, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1043,1044, 384, 385,
 igr2= 214, 215, 216,
 &end
#
#   17 LEU  HB+          14 ALA  MB          5.50    (#   2340:25  Unique         4.32, 5.66 A)
 &rst
  ixpk= 2340, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 261, 262,
 igr2= 214, 215, 216,
 &end
#
#   66 LEU  HB+          14 ALA  MB          4.50    (#   2341:25  Unique         3.32, 6.12 A)
 &rst
  ixpk= 2341, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 997, 998,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  25-2:2342    14 ALA  MB          4.50    (#   2342:25  Single Ambig)
 &rst
  ixpk= 2342, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 266, 267, 268, 270, 271, 272, 192, 193,
 igr2= 214, 215, 216,
 &end
#
#   62 LEU  MDX          14 ALA  MB          4.50    (#   2343:25  Unique         2.24, 4.57 A)
 &rst
  ixpk= 2343, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  25-2:2344    14 ALA  MB          4.50    (#   2344:25  Single Ambig)
 &rst
  ixpk= 2344, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 151, 152, 233, 234, 198, 199,
 igr2= 214, 215, 216,
 &end
#
#   62 LEU  MDY          14 ALA  MB          2.50    (#   2346:25  Unique         2.24, 4.57 A)
 &rst
  ixpk= 2346, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2= 214, 215, 216,
 &end
#
#   66 LEU  MDX          14 ALA  MB          3.50    (#   2347:25  Unique         2.35, 4.34 A)
 &rst
  ixpk= 2347, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 214, 215, 216,
 &end
#
#   66 LEU  MDY          14 ALA  MB          4.50    (#   2348:25  Unique         2.35, 4.34 A)
 &rst
  ixpk= 2348, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 214, 215, 216,
 &end
#
#   15 LYS  HG+          14 ALA  MB          5.50    (#   2349:25  Unique         3.62, 5.36 A)
 &rst
  ixpk= 2349, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 227, 228,
 igr2= 214, 215, 216,
 &end
#
#   66 LEU  HA           14 ALA  MB          4.50    (#   2351:25  Unique         3.67, 4.72 A)
 &rst
  ixpk= 2351, nxpk= 25, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 214, 215, 216,
 &end
#
#   62 LEU  HA           14 ALA  MB          4.50    (#   2352:25  Unique         3.83, 5.09 A)
 &rst
  ixpk= 2352, nxpk= 25, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 214, 215, 216,
 &end
#
#   17 LEU  HB-          14 ALA  MB          4.50    (#   2353:25  Unique         4.32, 5.66 A)
 &rst
  ixpk= 2353, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262,
 igr2= 214, 215, 216,
 &end
#
#   78 VAL  HB           85 ILE  MG2         5.50    (#   2355:25  Unique         3.61, 4.98 A)
 &rst
  ixpk= 2355, nxpk= 25, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1287,1288,1289,
 &end
#
#   85 ILE  HA           85 ILE  MG2         3.50    (#   2356:25  Unique         2.53, 3.18 A)
 &rst
  ixpk= 2356, nxpk= 25, iat=1283,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1287,1288,1289,
 &end
#
#   90 THR  HB           85 ILE  MG2         4.50    (#   2357:25  Unique         3.19, 4.46 A)
 &rst
  ixpk= 2357, nxpk= 25, iat=1341,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1287,1288,1289,
 &end
#
#   86 GLY  HA-          85 ILE  MG2         5.50    (#   2358:25  Unique         3.49, 5.21 A)
 &rst
  ixpk= 2358, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1302,1303,
 igr2=1287,1288,1289,
 &end
#
#   91 VAL  HA           85 ILE  MG2         4.50    (#   2359:25  Unique         3.99, 4.94 A)
 &rst
  ixpk= 2359, nxpk= 25, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1287,1288,1289,
 &end
#
#    0 AMB  25-2:2360    85 ILE  MG2         3.50    (#   2360:25  Single Ambig)
 &rst
  ixpk= 2360, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1411,1412,1411,1412,
 igr2=1287,1288,1289,
 &end
#
#   91 VAL  HB           85 ILE  MG2         5.50    (#   2361:25  Unique         4.94, 6.18 A)
 &rst
  ixpk= 2361, nxpk= 25, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1287,1288,1289,
 &end
#
#    0 AMB  25-2:2362    85 ILE  MG2         2.50    (#   2362:25  Single Ambig)
 &rst
  ixpk= 2362, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=1291,1292,1285,
 igr2=1287,1288,1289,
 &end
#
#    0 AMB  25-2:2363    85 ILE  MG2         4.50    (#   2363:25  Single Ambig)
 &rst
  ixpk= 2363, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1213,1405,1406,1271,1272,
 igr2=1287,1288,1289,
 &end
#
#   94 LYS  HD+          85 ILE  MG2         4.50    (#   2364:25  Unique         2.75, 3.52 A)
 &rst
  ixpk= 2364, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1408,1409,
 igr2=1287,1288,1289,
 &end
#
#   90 THR  MG2          85 ILE  MG2         3.50    (#   2365:25  Unique         2.77, 4.26 A)
 &rst
  ixpk= 2365, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1343,1344,1345,
 igr2=1287,1288,1289,
 &end
#
#   85 ILE  HG1+         85 ILE  MG2         3.50    (#   2366:25  Unique         2.35, 3.46 A)
 &rst
  ixpk= 2366, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1291,1292,
 igr2=1287,1288,1289,
 &end
#
#    0 AMB  25-2:2367    85 ILE  MG2         2.50    (#   2367:25  Single Ambig)
 &rst
  ixpk= 2367, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,
 igr2=1287,1288,1289,
 &end
#
#   53 LEU  HA           59 GLY  HA+         5.50    (#   2370:25  Unique         2.60, 3.58 A)
 &rst
  ixpk= 2370, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 903, 904,
 &end
#
#   62 LEU  HB+          59 GLY  HA+         5.50    (#   2371:25  Unique         2.31, 3.83 A)
 &rst
  ixpk= 2371, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 940, 941,
 igr2= 903, 904,
 &end
#
#   56 LEU  HB+          59 GLY  HA+         5.50    (#   2372:25  Unique         2.26, 3.49 A)
 &rst
  ixpk= 2372, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 863, 864,
 igr2= 903, 904,
 &end
#
#   56 LEU  MDY          59 GLY  HA+         4.50    (#   2373:25  Unique         2.27, 5.20 A)
 &rst
  ixpk= 2373, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 868, 869, 870, 872, 873, 874,
 igr2= 903, 904,
 &end
#
#   53 LEU  MDX          59 GLY  HA+         4.50    (#   2374:25  Unique         2.29, 5.11 A)
 &rst
  ixpk= 2374, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2= 903, 904,
 &end
#
#    0 AMB  25-2:2375    32 GLY  QA          4.50    (#   2375:25  Single Ambig)
 &rst
  ixpk= 2375, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 470, 519,
 igr2= 480, 481,
 &end
#
#   35 ASN  HB+          32 GLY  QA          4.50    (#   2376:25  Unique         2.32, 3.93 A)
 &rst
  ixpk= 2376, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 521, 522,
 igr2= 480, 481,
 &end
#
#    0 AMB  25-2:2383     0 AMB  25-1:2383   3.50    (#   2383:25  Double Ambig)
 &rst
  ixpk= 2383, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1630,1631,1632,1249,1250,
 igr2=1230,1231,1230,1231,
 &end
#
#   80 ILE  MG2          81 GLY  HA+         4.50    (#   2384:25  Unique         3.28, 4.59 A)
 &rst
  ixpk= 2384, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1215,1216,1217,
 igr2=1230,1231,
 &end
#
#   80 ILE  MG2          81 GLY  HA-         5.50    (#   2385:25  Unique         3.28, 4.59 A)
 &rst
  ixpk= 2385, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1215,1216,1217,
 igr2=1230,1231,
 &end
#
#    0 AMB  25-2:2387    81 GLY  HA-         4.50    (#   2387:25  Single Ambig)
 &rst
  ixpk= 2387, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1630,1631,1632,1249,1250,
 igr2=1230,1231,
 &end
#
#    0 AMB  25-2:2395    80 ILE  MD1         4.50    (#   2395:25  Single Ambig)
 &rst
  ixpk= 2395, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1509,1283,
 igr2=1222,1223,1224,
 &end
#
#  104 LEU  HA           80 ILE  MD1         5.50    (#   2396:25  Unique         3.53, 4.87 A)
 &rst
  ixpk= 2396, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1222,1223,1224,
 &end
#
#  103 LEU  HB+          80 ILE  MD1         4.50    (#   2397:25  Unique         3.34, 5.15 A)
 &rst
  ixpk= 2397, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1563,1564,
 igr2=1222,1223,1224,
 &end
#
#  103 LEU  HG           80 ILE  MD1         4.50    (#   2398:25  Unique         2.80, 3.85 A)
 &rst
  ixpk= 2398, nxpk= 25, iat=1566,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1222,1223,1224,
 &end
#
#    0 AMB  25-2:2399    80 ILE  MD1         2.50    (#   2399:25  Single Ambig)
 &rst
  ixpk= 2399, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1219,1220,1563,1564,
 igr2=1222,1223,1224,
 &end
#
#    0 AMB  25-2:2400    80 ILE  MD1         2.50    (#   2400:25  Single Ambig)
 &rst
  ixpk= 2400, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1291,1292,1219,1220,
 igr2=1222,1223,1224,
 &end
#
#   41 LEU  MDX          80 ILE  MD1         5.50    (#   2401:25  Unique         3.39, 6.02 A)
 &rst
  ixpk= 2401, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2=1222,1223,1224,
 &end
#
#   85 ILE  HG1-         80 ILE  MD1         3.50    (#   2402:25  Unique         2.29, 3.99 A)
 &rst
  ixpk= 2402, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1291,1292,
 igr2=1222,1223,1224,
 &end
#
#    0 AMB  25-2:2403    80 ILE  MD1         3.50    (#   2403:25  Single Ambig)
 &rst
  ixpk= 2403, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
      1573,1574,
 igr2=1222,1223,1224,
 &end
#
#   67 ALA  MB           73 GLY  HA+         3.50    (#   2414:25  Unique         2.24, 3.47 A)
 &rst
  ixpk= 2414, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1016,1017,1018,
 igr2=1110,1111,
 &end
#
#   67 ALA  MB           73 GLY  HA-         3.50    (#   2416:25  Unique         2.24, 3.47 A)
 &rst
  ixpk= 2416, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1016,1017,1018,
 igr2=1110,1111,
 &end
#
#   90 THR  MG2          86 GLY  HA-         5.50    (#   2419:25  Unique         2.26, 4.09 A)
 &rst
  ixpk= 2419, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1343,1344,1345,
 igr2=1302,1303,
 &end
#
#   90 THR  MG2          86 GLY  HA-         5.50    (#   2422:25  Unique         2.26, 4.09 A)
 &rst
  ixpk= 2422, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1343,1344,1345,
 igr2=1302,1303,
 &end
#
#   97 ARG  HA           97 ARG  QD          4.50    (#   2427:25  Unique         3.94, 4.53 A)
 &rst
  ixpk= 2427, nxpk= 25, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1464,1465,
 &end
#
#   93 GLU  HG+          97 ARG  QD          4.50    (#   2428:25  Unique         2.13, 4.26 A)
 &rst
  ixpk= 2428, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1390,1391,
 igr2=1464,1465,
 &end
#
#   97 ARG  HG-          97 ARG  QD          2.50    (#   2429:25  Unique         2.41, 2.65 A)
 &rst
  ixpk= 2429, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1461,1462,
 igr2=1464,1465,
 &end
#
#   36 ARG  HA           36 ARG  HD-         4.50    (#   2430:25  Unique         2.16, 4.50 A)
 &rst
  ixpk= 2430, nxpk= 25, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 541, 542,
 &end
#
#   36 ARG  HG+          36 ARG  HD-         3.50    (#   2431:25  Unique         2.33, 2.70 A)
 &rst
  ixpk= 2431, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 538, 539,
 igr2= 541, 542,
 &end
#
#   36 ARG  HB-          36 ARG  HD-         4.50    (#   2432:25  Unique         2.37, 3.03 A)
 &rst
  ixpk= 2432, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 535, 536,
 igr2= 541, 542,
 &end
#
#   36 ARG  HB+          36 ARG  HD-         4.50    (#   2433:25  Unique         2.37, 3.03 A)
 &rst
  ixpk= 2433, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 535, 536,
 igr2= 541, 542,
 &end
#
#   36 ARG  HG-          36 ARG  HD-         3.50    (#   2434:25  Unique         2.33, 2.70 A)
 &rst
  ixpk= 2434, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 538, 539,
 igr2= 541, 542,
 &end
#
#    0 AMB  25-2:2435     0 AMB  25-1:2435   2.50    (#   2435:25  Double Ambig)
 &rst
  ixpk= 2435, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1458,1459, 535, 536,1496,1497,
 igr2=1464,1465, 541, 542,
 &end
#
#    0 AMB  25-2:2436     0 AMB  25-1:2436   2.50    (#   2436:25  Double Ambig)
 &rst
  ixpk= 2436, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 538, 539,1458,1459,1461,1462,
 igr2= 541, 542,1464,1465,
 &end
#
#   36 ARG  HA           36 ARG  HD+         4.50    (#   2437:25  Unique         2.16, 4.50 A)
 &rst
  ixpk= 2437, nxpk= 25, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 541, 542,
 &end
#
#   92 VAL  MGY          36 ARG  HD+         4.50    (#   2438:25  Unique         2.42, 5.28 A)
 &rst
  ixpk= 2438, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1373,1374,1375,1377,1378,1379,
 igr2= 541, 542,
 &end
#
#    0 AMB  25-2:2440     0 AMB  25-1:2440   3.50    (#   2440:25  Double Ambig)
 &rst
  ixpk= 2440, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 868, 869, 870, 872, 873, 874, 788, 789, 790, 792,
       793, 794, 822, 823, 824, 826, 827, 828,
 igr2= 863, 864, 863, 864, 863, 864,
 &end
#
#   56 LEU  MDY          56 LEU  HB-         3.50    (#   2441:25  Unique         2.40, 3.34 A)
 &rst
  ixpk= 2441, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 868, 869, 870, 872, 873, 874,
 igr2= 863, 864,
 &end
#
#   92 VAL  MGY          36 ARG  HD-         5.50    (#   2443:25  Unique         2.42, 5.28 A)
 &rst
  ixpk= 2443, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1373,1374,1375,1377,1378,1379,
 igr2= 541, 542,
 &end
#
#   33 TYR  HA           36 ARG  HD-         5.50    (#   2444:25  Unique         2.19, 4.05 A)
 &rst
  ixpk= 2444, nxpk= 25, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 541, 542,
 &end
#
#  117 LEU  HA          117 LEU  QB          5.50    (#   2445:25  Unique         2.29, 2.70 A)
 &rst
  ixpk= 2445, nxpk= 25, iat=1759,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1761,1762,
 &end
#
#    0 AMB  25-2:2446     0 AMB  25-1:2446   4.50    (#   2446:25  Double Ambig)
 &rst
  ixpk= 2446, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 212, 259,
 igr2= 261, 262, 261, 262,
 &end
#
#   17 LEU  MDY          17 LEU  HB+         4.50    (#   2447:25  Unique         2.40, 3.31 A)
 &rst
  ixpk= 2447, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 266, 267, 268, 270, 271, 272,
 igr2= 261, 262,
 &end
#
#    0 AMB  25-2:2449     0 AMB  25-1:2449   3.50    (#   2449:25  Double Ambig)
 &rst
  ixpk= 2449, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 264, 354, 355, 356, 358, 359, 360,
 igr2= 261, 262, 261, 262,
 &end
#
#    0 AMB  25-2:2451    17 LEU  HB-         4.50    (#   2451:25  Single Ambig)
 &rst
  ixpk= 2451, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 212, 259,
 igr2= 261, 262,
 &end
#
#   17 LEU  MDY          17 LEU  HB-         5.50    (#   2453:25  Unique         2.40, 3.31 A)
 &rst
  ixpk= 2453, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 266, 267, 268, 270, 271, 272,
 igr2= 261, 262,
 &end
#
#    0 AMB  25-2:2454    17 LEU  HB-         3.50    (#   2454:25  Single Ambig)
 &rst
  ixpk= 2454, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 788, 789, 790, 792, 793, 794, 264, 354, 355, 356,
       358, 359, 360,
 igr2= 261, 262,
 &end
#
#   17 LEU  MDX          17 LEU  HB-         3.50    (#   2455:25  Unique         2.40, 3.31 A)
 &rst
  ixpk= 2455, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 266, 267, 268, 270, 271, 272,
 igr2= 261, 262,
 &end
#
#   24 VAL  HB           79 PHE  HB+         5.50    (#   2456:25  Unique         2.25, 2.98 A)
 &rst
  ixpk= 2456, nxpk= 25, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1193,1194,
 &end
#
#    0 AMB  25-2:2457    28 LYS  HE-         4.50    (#   2457:25  Single Ambig)
 &rst
  ixpk= 2457, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 421, 422, 817, 818,
 igr2= 424, 425,
 &end
#
#    0 AMB  25-2:2458    28 LYS  HE-         3.50    (#   2458:25  Single Ambig)
 &rst
  ixpk= 2458, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1135,1136,1137,1139,1140,1141, 822, 823, 824, 826,
       827, 828,
 igr2= 424, 425,
 &end
#
#    0 AMB  25-2:2459     0 AMB  25-1:2459   4.50    (#   2459:25  Double Ambig)
 &rst
  ixpk= 2459, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 421, 422, 817, 818,
 igr2= 424, 425, 424, 425,
 &end
#
#   28 LYS  HB-          28 LYS  HE+         5.50    (#   2460:25  Unique         2.16, 4.50 A)
 &rst
  ixpk= 2460, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 415, 416,
 igr2= 424, 425,
 &end
#
#    0 AMB  25-2:2461     0 AMB  25-1:2461   3.50    (#   2461:25  Double Ambig)
 &rst
  ixpk= 2461, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1135,1136,1137,1139,1140,1141, 822, 823, 824, 826,
       827, 828,
 igr2= 424, 425, 424, 425,
 &end
#
#   24 VAL  HB           79 PHE  HB-         5.50    (#   2462:25  Unique         2.25, 2.98 A)
 &rst
  ixpk= 2462, nxpk= 25, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1193,1194,
 &end
#
#    0 AMB  25-2:2463    79 PHE  HB-         5.50    (#   2463:25  Single Ambig)
 &rst
  ixpk= 2463, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 280, 281, 282, 354, 355, 356, 358, 359, 360,
 igr2=1193,1194,
 &end
#
#    0 AMB  25-2:2465     0 AMB  25-1:2465   5.50    (#   2465:25  Double Ambig)
 &rst
  ixpk= 2465, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 280, 281, 282, 354, 355, 356, 358, 359, 360,
 igr2=1193,1194,1193,1194,
 &end
#
#    0 AMB  25-2:2467     0 AMB  25-1:2467   4.50    (#   2467:25  Double Ambig)
 &rst
  ixpk= 2467, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1088,1089,1091,1092,
 igr2=1094,1095,1094,1095,
 &end
#
#   72 ARG  HG-          72 ARG  HD+         4.50    (#   2468:25  Unique         2.33, 2.73 A)
 &rst
  ixpk= 2468, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1091,1092,
 igr2=1094,1095,
 &end
#
#  100 LEU  HG          100 LEU  HB+         4.50    (#   2471:25  Unique         2.34, 2.78 A)
 &rst
  ixpk= 2471, nxpk= 25, iat=1514,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1511,1512,
 &end
#
#    0 AMB  25-2:2472     0 AMB  25-1:2472   3.50    (#   2472:25  Double Ambig)
 &rst
  ixpk= 2472, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
      1521,1522,
 igr2=1511,1512,1511,1512,
 &end
#
#  100 LEU  HA          100 LEU  HB+         5.50    (#   2473:25  Unique         2.48, 2.79 A)
 &rst
  ixpk= 2473, nxpk= 25, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1511,1512,
 &end
#
#  100 LEU  HA          100 LEU  HB-         4.50    (#   2474:25  Unique         2.48, 2.79 A)
 &rst
  ixpk= 2474, nxpk= 25, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1511,1512,
 &end
#
#   83 LYS  QB           83 LYS  QE          4.50    (#   2477:25  Unique         2.11, 4.01 A)
 &rst
  ixpk= 2477, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1246,1247,
 igr2=1255,1256,
 &end
#
#   83 LYS  QD           83 LYS  QE          2.50    (#   2478:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 2478, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1252,1253,
 igr2=1255,1256,
 &end
#
#   83 LYS  QG           83 LYS  QE          3.50    (#   2479:25  Unique         2.40, 3.10 A)
 &rst
  ixpk= 2479, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1249,1250,
 igr2=1255,1256,
 &end
#
#   85 ILE  MD1          83 LYS  QE          5.50    (#   2481:25  Unique         2.49, 5.70 A)
 &rst
  ixpk= 2481, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1294,1295,1296,
 igr2=1255,1256,
 &end
#
#    0 AMB  25-2:2482     0 AMB  25-1:2482   5.50    (#   2482:25  Double Ambig)
 &rst
  ixpk= 2482, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 190,  44,
 igr2= 201, 202,  55,  56,
 &end
#
#    0 AMB  25-2:2484     0 AMB  25-1:2484   2.50    (#   2484:25  Double Ambig)
 &rst
  ixpk= 2484, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1088,1089, 754, 755,1091,1092,
 igr2=1094,1095, 757, 758,
 &end
#
#    0 AMB  25-2:2485     0 AMB  25-1:2485   2.50    (#   2485:25  Double Ambig)
 &rst
  ixpk= 2485, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=1091,1092, 751, 752,
 igr2=1094,1095, 757, 758,
 &end
#
#   51 VAL  MGX          49 LYS  HE-         4.50    (#   2486:25  Unique         2.19, 4.89 A)
 &rst
  ixpk= 2486, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 757, 758,
 &end
#
#   49 LYS  HG-          49 LYS  HE+         3.50    (#   2489:25  Unique         2.42, 3.24 A)
 &rst
  ixpk= 2489, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 751, 752,
 igr2= 757, 758,
 &end
#
#   51 VAL  MGX          49 LYS  HE+         4.50    (#   2490:25  Unique         2.19, 4.89 A)
 &rst
  ixpk= 2490, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 757, 758,
 &end
#
#  103 LEU  HA          103 LEU  HB+         3.50    (#   2492:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 2492, nxpk= 25, iat=1561,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1563,1564,
 &end
#
#  103 LEU  HG          103 LEU  HB+         4.50    (#   2494:25  Unique         2.31, 2.70 A)
 &rst
  ixpk= 2494, nxpk= 25, iat=1566,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1563,1564,
 &end
#
#    0 AMB  25-2:2495     0 AMB  25-1:2495   3.50    (#   2495:25  Double Ambig)
 &rst
  ixpk= 2495, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
      1573,1574,
 igr2=1563,1564,1563,1564,
 &end
#
#    0 AMB  25-2:2496     0 AMB  25-1:2496   5.50    (#   2496:25  Double Ambig)
 &rst
  ixpk= 2496, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 903, 904,1110,1111,
 igr2= 940, 941, 997, 998,
 &end
#
#   62 LEU  MDX           0 AMB  25-1:2497   4.50    (#   2497:25  Single Ambig)
 &rst
  ixpk= 2497, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2= 940, 941, 997, 998,
 &end
#
#    0 AMB  25-2:2498     0 AMB  25-1:2498   3.50    (#   2498:25  Double Ambig)
 &rst
  ixpk= 2498, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1000, 987, 988, 989,
 igr2= 997, 998, 997, 998,
 &end
#
#    0 AMB  25-2:2500     0 AMB  25-1:2500   3.50    (#   2500:25  Double Ambig)
 &rst
  ixpk= 2500, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 943, 868, 869, 870, 872, 873, 874,
 igr2= 940, 941, 940, 941,
 &end
#
#    0 AMB  25-2:2501     0 AMB  25-1:2501   4.50    (#   2501:25  Double Ambig)
 &rst
  ixpk= 2501, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 938, 815,
 igr2= 940, 941, 940, 941,
 &end
#
#   63 GLN  HA           66 LEU  HB+         5.50    (#   2502:25  Unique         2.09, 3.22 A)
 &rst
  ixpk= 2502, nxpk= 25, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 997, 998,
 &end
#
#   66 LEU  MDX          66 LEU  HB+         4.50    (#   2503:25  Unique         2.28, 3.55 A)
 &rst
  ixpk= 2503, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 997, 998,
 &end
#
#   66 LEU  MDY           0 AMB  25-1:2504   3.50    (#   2504:25  Single Ambig)
 &rst
  ixpk= 2504, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 997, 998, 940, 941,
 &end
#
#  103 LEU  HA          103 LEU  HB-         3.50    (#   2505:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 2505, nxpk= 25, iat=1561,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1563,1564,
 &end
#
#  103 LEU  HG          103 LEU  HB-         4.50    (#   2507:25  Unique         2.31, 2.70 A)
 &rst
  ixpk= 2507, nxpk= 25, iat=1566,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1563,1564,
 &end
#
#    0 AMB  25-2:2508   103 LEU  HB-         2.50    (#   2508:25  Single Ambig)
 &rst
  ixpk= 2508, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
      1573,1574,
 igr2=1563,1564,
 &end
#
#    0 AMB  25-2:2509   103 LEU  HB-         4.50    (#   2509:25  Single Ambig)
 &rst
  ixpk= 2509, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
      1521,1522,1215,1216,1217,
 igr2=1563,1564,
 &end
#
#   66 LEU  MDY          66 LEU  HB-         4.50    (#   2510:25  Unique         2.28, 3.55 A)
 &rst
  ixpk= 2510, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 997, 998,
 &end
#
#   66 LEU  HA           66 LEU  HB-         4.50    (#   2511:25  Unique         2.43, 2.87 A)
 &rst
  ixpk= 2511, nxpk= 25, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 997, 998,
 &end
#
#   66 LEU  HG           66 LEU  HB-         3.50    (#   2512:25  Unique         2.32, 2.41 A)
 &rst
  ixpk= 2512, nxpk= 25, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 997, 998,
 &end
#
#   66 LEU  MDX          66 LEU  HB-         4.50    (#   2513:25  Unique         2.28, 3.55 A)
 &rst
  ixpk= 2513, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 997, 998,
 &end
#
#   63 GLN  HA           66 LEU  HB-         5.50    (#   2514:25  Unique         2.09, 3.22 A)
 &rst
  ixpk= 2514, nxpk= 25, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 997, 998,
 &end
#
#  100 LEU  HG          100 LEU  HB-         3.50    (#   2516:25  Unique         2.34, 2.78 A)
 &rst
  ixpk= 2516, nxpk= 25, iat=1514,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1511,1512,
 &end
#
#    0 AMB  25-2:2517     0 AMB  25-1:2517   3.50    (#   2517:25  Double Ambig)
 &rst
  ixpk= 2517, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 938,1400,
 igr2= 940, 941,1511,1512,
 &end
#
#    0 AMB  25-2:2519     0 AMB  25-1:2519   4.50    (#   2519:25  Double Ambig)
 &rst
  ixpk= 2519, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
 igr1= 945, 946, 947, 949, 950, 951,1587,1588,1589,1591,
      1592,1593,1530,1531,
 igr2= 940, 941,1511,1512,
 &end
#
#    0 AMB  25-2:2520     0 AMB  25-1:2520   2.50    (#   2520:25  Double Ambig)
 &rst
  ixpk= 2520, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 943,1516,1517,1518,1520,1521,1522, 868, 869, 870,
       872, 873, 874,
 igr2= 940, 941,1511,1512,
 &end
#
#    0 AMB  25-2:2525     0 AMB  25-1:2525   2.50    (#   2525:25  Double Ambig)
 &rst
  ixpk= 2525, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1690,1691, 198, 199,  52,  53,
 igr2=1693,1694, 201, 202,  55,  56,
 &end
#
#    0 AMB  25-2:2526     0 AMB  25-1:2526   2.50    (#   2526:25  Double Ambig)
 &rst
  ixpk= 2526, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1687,1688,  49,  50,  49,  50,
 igr2=1693,1694,  55,  56,
 &end
#
#    0 AMB  25-2:2527    13 LYS  QE          4.50    (#   2527:25  Single Ambig)
 &rst
  ixpk= 2527, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 266, 267, 268, 270, 271, 272, 868, 869, 870, 872,
       873, 874,
 igr2= 201, 202,
 &end
#
#    0 AMB  25-2:2528    13 LYS  QE          5.50    (#   2528:25  Single Ambig)
 &rst
  ixpk= 2528, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 264, 868, 869, 870, 872, 873, 874,
 igr2= 201, 202,
 &end
#
#    9 ALA  HA           12 LYS  QE          5.50    (#   2529:25  Unique         2.12, 5.89 A)
 &rst
  ixpk= 2529, nxpk= 25, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   12 LYS  HA           12 LYS  QE          5.50    (#   2530:25  Unique         4.33, 5.27 A)
 &rst
  ixpk= 2530, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   12 LYS  QB           12 LYS  QE          4.50    (#   2531:25  Unique         2.15, 4.35 A)
 &rst
  ixpk= 2531, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 170, 171,
 igr2= 179, 180,
 &end
#
#   12 LYS  QD           12 LYS  QE          2.50    (#   2532:25  Unique         2.35, 2.71 A)
 &rst
  ixpk= 2532, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 176, 177,
 igr2= 179, 180,
 &end
#
#   12 LYS  HG+          12 LYS  QE          3.50    (#   2533:25  Unique         2.37, 3.05 A)
 &rst
  ixpk= 2533, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 173, 174,
 igr2= 179, 180,
 &end
#
#   12 LYS  HG-          12 LYS  QE          3.50    (#   2534:25  Unique         2.37, 3.05 A)
 &rst
  ixpk= 2534, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 173, 174,
 igr2= 179, 180,
 &end
#
#   38 LYS  HD-          38 LYS  HE+         4.50    (#   2537:25  Unique         2.41, 2.76 A)
 &rst
  ixpk= 2537, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 581, 582,
 igr2= 584, 585,
 &end
#
#    0 AMB  25-2:2538     0 AMB  25-1:2538   2.50    (#   2538:25  Double Ambig)
 &rst
  ixpk= 2538, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 754, 755, 581, 582,
 igr2= 757, 758, 584, 585,
 &end
#
#    0 AMB  25-2:2539     0 AMB  25-1:2539   2.50    (#   2539:25  Double Ambig)
 &rst
  ixpk= 2539, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 266, 267, 268, 270, 271, 272, 772, 773, 774, 776,
       777, 778, 788, 789, 790, 792, 793, 794,
 igr2= 757, 758, 584, 585, 757, 758,
 &end
#
#   53 LEU  HA           53 LEU  HB+         5.50    (#   2543:25  Unique         2.49, 2.82 A)
 &rst
  ixpk= 2543, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 817, 818,
 &end
#
#    0 AMB  25-2:2544     0 AMB  25-1:2544   4.50    (#   2544:25  Double Ambig)
 &rst
  ixpk= 2544, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 820, 959, 960,
 igr2= 817, 818, 817, 818,
 &end
#
#    0 AMB  25-2:2545     0 AMB  25-1:2545   4.50    (#   2545:25  Double Ambig)
 &rst
  ixpk= 2545, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 822, 823, 824, 826, 827, 828,1135,1136,1137,1139,
      1140,1141,
 igr2= 817, 818, 817, 818,
 &end
#
#   53 LEU  MDX          53 LEU  HB+         5.50    (#   2546:25  Unique         2.41, 3.35 A)
 &rst
  ixpk= 2546, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2= 817, 818,
 &end
#
#   37 VAL  HA           40 LEU  QB          3.50    (#   2548:25  Unique         2.47, 2.87 A)
 &rst
  ixpk= 2548, nxpk= 25, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 614, 615,
 &end
#
#    0 AMB  25-2:2549     0 AMB  25-1:2549   3.50    (#   2549:25  Double Ambig)
 &rst
  ixpk= 2549, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 612, 815,
 igr2= 614, 615, 817, 818,
 &end
#
#    0 AMB  25-2:2550    40 LEU  QB          5.50    (#   2550:25  Single Ambig)
 &rst
  ixpk= 2550, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 597, 598,1355, 559,
 igr2= 614, 615,
 &end
#
#    0 AMB  25-2:2552     0 AMB  25-1:2552   3.50    (#   2552:25  Double Ambig)
 &rst
  ixpk= 2552, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1135,1136,1137,1139,1140,1141,1135,1136,1137,1139,
      1140,1141, 561, 562, 563, 565, 566, 567,1357,1358,
      1359,1361,1362,1363,1357,1358,1359,1361,1362,1363,
       868, 869, 870, 872, 873, 874, 633, 634,
 igr2= 817, 818, 614, 615,
 &end
#
#   40 LEU  HG           40 LEU  QB          3.50    (#   2553:25  Unique         2.58, 2.82 A)
 &rst
  ixpk= 2553, nxpk= 25, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 614, 615,
 &end
#
#   53 LEU  MDX          53 LEU  HB-         4.50    (#   2554:25  Unique         2.41, 3.35 A)
 &rst
  ixpk= 2554, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2= 817, 818,
 &end
#
#    0 AMB  25-2:2556    53 LEU  HB-         5.50    (#   2556:25  Single Ambig)
 &rst
  ixpk= 2556, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 820, 959, 960,
 igr2= 817, 818,
 &end
#
#    0 AMB  25-2:2557   103 LEU  HB-         5.50    (#   2557:25  Single Ambig)
 &rst
  ixpk= 2557, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1552,1553,1587,1588,1589,1591,1592,1593,
 igr2=1563,1564,
 &end
#
#   58 ASP  HB-          62 LEU  HB-         5.50    (#   2559:25  Unique         3.39, 5.76 A)
 &rst
  ixpk= 2559, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 893, 894,
 igr2= 940, 941,
 &end
#
#    0 AMB  25-2:2560     0 AMB  25-1:2560   5.50    (#   2560:25  Double Ambig)
 &rst
  ixpk= 2560, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 190,  44,
 igr2= 201, 202,  55,  56,
 &end
#
#  103 LEU  HA           94 LYS  HE+         7.00    (#   2562:25  Unique         6.25, 6.54 A)
 &rst
  ixpk= 2562, nxpk= 25, iat=1561,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1411,1412,
 &end
#
#   94 LYS  HA           94 LYS  HE+         5.50    (#   2563:25  Unique         4.28, 5.07 A)
 &rst
  ixpk= 2563, nxpk= 25, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1411,1412,
 &end
#
#   99 GLU  HB-          94 LYS  HE+         4.50    (#   2564:25  Unique         2.91, 5.29 A)
 &rst
  ixpk= 2564, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1496,1497,
 igr2=1411,1412,
 &end
#
#    0 AMB  25-2:2565     0 AMB  25-1:2565   3.50    (#   2565:25  Double Ambig)
 &rst
  ixpk= 2565, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
      1573,1574,
 igr2=1411,1412,1411,1412,
 &end
#
#   50 VAL  MGX          38 LYS  HE-         4.50    (#   2566:25  Unique         2.12, 4.67 A)
 &rst
  ixpk= 2566, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 772, 773, 774, 776, 777, 778,
 igr2= 584, 585,
 &end
#
#   38 LYS  HB+          38 LYS  HE+         5.50    (#   2567:25  Unique         2.16, 3.14 A)
 &rst
  ixpk= 2567, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 575, 576,
 igr2= 584, 585,
 &end
#
#   38 LYS  HG+          38 LYS  HE+         4.50    (#   2568:25  Unique         2.44, 3.30 A)
 &rst
  ixpk= 2568, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 578, 579,
 igr2= 584, 585,
 &end
#
#    0 AMB  25-2:2569     0 AMB  25-1:2569   5.50    (#   2569:25  Double Ambig)
 &rst
  ixpk= 2569, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1= 266, 267, 268, 270, 271, 272, 575, 576,
 igr2= 757, 758, 584, 585,
 &end
#
#   40 LEU  MDY          40 LEU  QB          3.50    (#   2570:25  Unique         2.35, 3.28 A)
 &rst
  ixpk= 2570, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2= 614, 615,
 &end
#
#   41 LEU  HA           41 LEU  HB-         5.50    (#   2571:25  Unique         2.51, 2.80 A)
 &rst
  ixpk= 2571, nxpk= 25, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 633, 634,
 &end
#
#   94 LYS  HB+          94 LYS  HE-         5.50    (#   2573:25  Unique         2.19, 3.37 A)
 &rst
  ixpk= 2573, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1402,1403,
 igr2=1411,1412,
 &end
#
#    0 AMB  25-2:2574    94 LYS  HE-         3.50    (#   2574:25  Single Ambig)
 &rst
  ixpk= 2574, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1402,1403,1408,1409,
 igr2=1411,1412,
 &end
#
#    0 AMB  25-2:2575    94 LYS  HE-         3.50    (#   2575:25  Single Ambig)
 &rst
  ixpk= 2575, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1511,1512,1343,1344,1345,
 igr2=1411,1412,
 &end
#
#    0 AMB  25-2:2576    94 LYS  HE-         4.50    (#   2576:25  Single Ambig)
 &rst
  ixpk= 2576, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1287,1288,1289,1294,1295,1296,
 igr2=1411,1412,
 &end
#
#    0 AMB  25-2:2577    94 LYS  HE-         5.50    (#   2577:25  Single Ambig)
 &rst
  ixpk= 2577, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1496,1497,1563,1564,
 igr2=1411,1412,
 &end
#
#    0 AMB  25-2:2578     0 AMB  25-1:2578   3.50    (#   2578:25  Double Ambig)
 &rst
  ixpk= 2578, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1402,1403,1408,1409,
 igr2=1411,1412,1411,1412,
 &end
#
#    0 AMB  25-2:2579     0 AMB  25-1:2579   3.50    (#   2579:25  Double Ambig)
 &rst
  ixpk= 2579, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1511,1512,1343,1344,1345,
 igr2=1411,1412,1411,1412,
 &end
#
#    0 AMB  25-2:2580     0 AMB  25-1:2580   4.50    (#   2580:25  Double Ambig)
 &rst
  ixpk= 2580, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1287,1288,1289,1294,1295,1296,
 igr2=1411,1412,1411,1412,
 &end
#
#    0 AMB  25-2:2581     0 AMB  25-1:2581   5.50    (#   2581:25  Double Ambig)
 &rst
  ixpk= 2581, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1496,1497,1563,1564,
 igr2=1411,1412,1411,1412,
 &end
#
#   94 LYS  HB+          94 LYS  HE+         5.50    (#   2582:25  Unique         2.19, 3.37 A)
 &rst
  ixpk= 2582, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1402,1403,
 igr2=1411,1412,
 &end
#
#  104 LEU  MDY         104 LEU  HB+         4.50    (#   2583:25  Unique         2.42, 3.29 A)
 &rst
  ixpk= 2583, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1587,1588,1589,1591,1592,1593,
 igr2=1582,1583,
 &end
#
#    0 AMB  25-2:2585     0 AMB  25-1:2585   3.50    (#   2585:25  Double Ambig)
 &rst
  ixpk= 2585, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1587,1588,1589,1591,1592,1593,1585,
 igr2=1582,1583,1582,1583,
 &end
#
#  104 LEU  HA          104 LEU  HB+         5.50    (#   2586:25  Unique         2.55, 2.81 A)
 &rst
  ixpk= 2586, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1582,1583,
 &end
#
#    0 AMB  25-2:2587     0 AMB  25-1:2587   5.50    (#   2587:25  Double Ambig)
 &rst
  ixpk= 2587, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1662,1663,1664,1535,1536,1537,1539,1540,1541,
 igr2=1582,1583,1582,1583,
 &end
#
#    8 ASP  HA           11 LEU  QB          3.50    (#   2588:25  Unique         2.24, 2.92 A)
 &rst
  ixpk= 2588, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 151, 152,
 &end
#
#   11 LEU  HA           11 LEU  QB          3.50    (#   2589:25  Unique         2.32, 2.71 A)
 &rst
  ixpk= 2589, nxpk= 25, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 151, 152,
 &end
#
#    0 AMB  25-2:2590     0 AMB  25-1:2590   5.50    (#   2590:25  Double Ambig)
 &rst
  ixpk= 2590, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 119, 120, 119, 120,
 igr2= 100, 101, 151, 152,
 &end
#
#    0 AMB  25-2:2591     0 AMB  25-1:2591   5.50    (#   2591:25  Double Ambig)
 &rst
  ixpk= 2591, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 119, 120, 926, 927,
 igr2= 100, 101, 151, 152,
 &end
#
#    0 AMB  25-2:2592     0 AMB  25-1:2592   2.50    (#   2592:25  Double Ambig)
 &rst
  ixpk= 2592, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 154,  49,  50,
 igr2= 151, 152, 100, 101,
 &end
#
#   11 LEU  MDX          11 LEU  QB          2.50    (#   2593:25  Unique         2.30, 3.31 A)
 &rst
  ixpk= 2593, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 156, 157, 158, 160, 161, 162,
 igr2= 151, 152,
 &end
#
#  104 LEU  HA          104 LEU  HB-         4.50    (#   2594:25  Unique         2.55, 2.81 A)
 &rst
  ixpk= 2594, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1582,1583,
 &end
#
#  104 LEU  MDY         104 LEU  HB-         4.50    (#   2596:25  Unique         2.42, 3.29 A)
 &rst
  ixpk= 2596, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1587,1588,1589,1591,1592,1593,
 igr2=1582,1583,
 &end
#
#    0 AMB  25-2:2597   104 LEU  HB-         3.50    (#   2597:25  Single Ambig)
 &rst
  ixpk= 2597, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1587,1588,1589,1591,1592,1593,1585,
 igr2=1582,1583,
 &end
#
#  101 LEU  HA          104 LEU  HB-         5.50    (#   2598:25  Unique         2.37, 3.34 A)
 &rst
  ixpk= 2598, nxpk= 25, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1582,1583,
 &end
#
#  110 THR  MG2         104 LEU  HB-         5.50    (#   2599:25  Unique         2.22, 3.48 A)
 &rst
  ixpk= 2599, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1662,1663,1664,
 igr2=1582,1583,
 &end
#
#   41 LEU  HA           41 LEU  HB+         5.50    (#   2600:25  Unique         2.51, 2.80 A)
 &rst
  ixpk= 2600, nxpk= 25, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 633, 634,
 &end
#
#   41 LEU  MDY          41 LEU  HB+         4.50    (#   2602:25  Unique         2.31, 3.33 A)
 &rst
  ixpk= 2602, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 633, 634,
 &end
#
#   41 LEU  HG           41 LEU  HB-         5.50    (#   2604:25  Unique         2.30, 2.77 A)
 &rst
  ixpk= 2604, nxpk= 25, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 633, 634,
 &end
#
#   41 LEU  MDX          41 LEU  HB-         5.50    (#   2605:25  Unique         2.31, 3.33 A)
 &rst
  ixpk= 2605, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 633, 634,
 &end
#
#   41 LEU  MDY          41 LEU  HB-         4.50    (#   2606:25  Unique         2.31, 3.33 A)
 &rst
  ixpk= 2606, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 633, 634,
 &end
#
#    0 AMB  25-2:2608    15 LYS  HE-         3.50    (#   2608:25  Single Ambig)
 &rst
  ixpk= 2608, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 224, 225, 154,
 igr2= 233, 234,
 &end
#
#   15 LYS  QD           15 LYS  HE-         3.50    (#   2609:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 2609, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 230, 231,
 igr2= 233, 234,
 &end
#
#   11 LEU  MDX          15 LYS  HE-         3.50    (#   2610:25  Unique         2.12, 4.31 A)
 &rst
  ixpk= 2610, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 156, 157, 158, 160, 161, 162,
 igr2= 233, 234,
 &end
#
#   11 LEU  MDY          15 LYS  HE-         3.50    (#   2611:25  Unique         2.12, 4.31 A)
 &rst
  ixpk= 2611, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 156, 157, 158, 160, 161, 162,
 igr2= 233, 234,
 &end
#
#   15 LYS  HG-          15 LYS  HE-         4.50    (#   2612:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 2612, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 227, 228,
 igr2= 233, 234,
 &end
#
#   15 LYS  HG+          15 LYS  HE-         4.50    (#   2613:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 2613, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 227, 228,
 igr2= 233, 234,
 &end
#
#    7 LEU  HA            7 LEU  QB          2.50    (#   2614:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 2614, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 100, 101,
 &end
#
#   12 LYS  HA           11 LEU  QB          5.50    (#   2615:25  Unique         4.38, 5.16 A)
 &rst
  ixpk= 2615, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 151, 152,
 &end
#
#    0 AMB  25-2:2616     0 AMB  25-1:2616   2.50    (#   2616:25  Double Ambig)
 &rst
  ixpk= 2616, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 156, 157, 158, 160, 161, 162,1215,1216,1217,
 igr2= 233, 234,1213,
 &end
#
#    0 AMB  25-2:2617     0 AMB  25-1:2617   5.50    (#   2617:25  Double Ambig)
 &rst
  ixpk= 2617, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 168, 222,
 igr2= 233, 234, 233, 234,
 &end
#
#    0 AMB  25-2:2619     0 AMB  25-1:2619   2.50    (#   2619:25  Double Ambig)
 &rst
  ixpk= 2619, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1291,1292, 230, 231,
 igr2=1213, 233, 234,
 &end
#
#   15 LYS  HG+          15 LYS  HE+         4.50    (#   2620:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 2620, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 227, 228,
 igr2= 233, 234,
 &end
#
#   85 ILE  HA           85 ILE  MD1         2.50    (#   2621:25  Unique         2.25, 3.04 A)
 &rst
  ixpk= 2621, nxpk= 25, iat=1283,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1294,1295,1296,
 &end
#
#    0 AMB  25-2:2622    85 ILE  MD1         4.50    (#   2622:25  Single Ambig)
 &rst
  ixpk= 2622, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1411,1412,1411,1412,1266,
 igr2=1294,1295,1296,
 &end
#
#  103 LEU  HB+          85 ILE  MD1         5.50    (#   2623:25  Unique         4.54, 6.40 A)
 &rst
  ixpk= 2623, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1563,1564,
 igr2=1294,1295,1296,
 &end
#
#   83 LYS  QB           85 ILE  MD1         4.50    (#   2624:25  Unique         3.03, 4.91 A)
 &rst
  ixpk= 2624, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1246,1247,
 igr2=1294,1295,1296,
 &end
#
#    0 AMB  25-2:2625    85 ILE  MD1         2.50    (#   2625:25  Single Ambig)
 &rst
  ixpk= 2625, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1291,1292,1285,1252,1253,
 igr2=1294,1295,1296,
 &end
#
#    0 AMB  25-2:2626    85 ILE  MD1         5.50    (#   2626:25  Single Ambig)
 &rst
  ixpk= 2626, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=1268,1269,1343,1344,1345,
 igr2=1294,1295,1296,
 &end
#
#   85 ILE  HG1+         85 ILE  MD1         3.50    (#   2627:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 2627, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1291,1292,
 igr2=1294,1295,1296,
 &end
#
#    0 AMB  25-2:2628    85 ILE  MD1         3.50    (#   2628:25  Single Ambig)
 &rst
  ixpk= 2628, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
      1573,1574,
 igr2=1294,1295,1296,
 &end
#
#   80 ILE  MG2          85 ILE  MD1         3.50    (#   2629:25  Unique         4.04, 5.55 A)
 &rst
  ixpk= 2629, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1215,1216,1217,
 igr2=1294,1295,1296,
 &end
#
#  105 GLN  HB+         106 ASP  HB-         5.50    (#   2631:25  Unique         4.29, 5.07 A)
 &rst
  ixpk= 2631, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1601,1602,
 igr2=1618,1619,
 &end
#
#    0 AMB  25-2:2634     0 AMB  25-1:2634   5.50    (#   2634:25  Double Ambig)
 &rst
  ixpk= 2634, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1= 338, 339, 340, 342, 343, 344, 633, 634,
 igr2= 727, 728, 727, 728,
 &end
#
#   23 VAL  HB           48 TYR  HB+         5.50    (#   2635:25  Unique         2.27, 2.52 A)
 &rst
  ixpk= 2635, nxpk= 25, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 727, 728,
 &end
#
#   23 VAL  MGX          48 TYR  HB+         5.50    (#   2636:25  Unique         2.42, 4.04 A)
 &rst
  ixpk= 2636, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2= 727, 728,
 &end
#
#    0 AMB  25-2:2638    48 TYR  HB-         5.50    (#   2638:25  Single Ambig)
 &rst
  ixpk= 2638, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 338, 339, 340, 342, 343, 344, 633, 634,
 igr2= 727, 728,
 &end
#
#   23 VAL  HB           48 TYR  HB-         4.50    (#   2640:25  Unique         2.27, 2.52 A)
 &rst
  ixpk= 2640, nxpk= 25, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 727, 728,
 &end
#
#    0 AMB  25-2:2642     0 AMB  25-1:2642   5.50    (#   2642:25  Double Ambig)
 &rst
  ixpk= 2642, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1552,1553,1604,1605,
 igr2=1618,1619,1618,1619,
 &end
#
#  103 LEU  HA          106 ASP  HB+         4.50    (#   2643:25  Unique         2.36, 3.08 A)
 &rst
  ixpk= 2643, nxpk= 25, iat=1561,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1618,1619,
 &end
#
#    0 AMB  25-2:2645     0 AMB  25-1:2645   4.50    (#   2645:25  Double Ambig)
 &rst
  ixpk= 2645, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=  49,  50,1630,1631,1632, 131, 132, 133,1563,1564,
      
 igr2= 119, 120,1618,1619, 119, 120,
 &end
#
#  105 GLN  HB-         106 ASP  HB-         5.50    (#   2646:25  Unique         4.29, 5.07 A)
 &rst
  ixpk= 2646, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1601,1602,
 igr2=1618,1619,
 &end
#
#    0 AMB  25-2:2648     0 AMB  25-1:2648   3.50    (#   2648:25  Double Ambig)
 &rst
  ixpk= 2648, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  66,1561,
 igr2= 119, 120,1618,1619,
 &end
#
#    0 AMB  25-2:2649     0 AMB  25-1:2649   4.50    (#   2649:25  Double Ambig)
 &rst
  ixpk= 2649, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=  52,  53, 100, 101, 151, 152,
 igr2= 119, 120, 119, 120, 119, 120,
 &end
#
#    0 AMB  25-2:2650     0 AMB  25-1:2650   3.50    (#   2650:25  Double Ambig)
 &rst
  ixpk= 2650, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 117,1131,
 igr2= 119, 120,1163,1164,
 &end
#
#    8 ASP  HA            8 ASP  HB-         3.50    (#   2651:25  Unique         2.41, 2.74 A)
 &rst
  ixpk= 2651, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 119, 120,
 &end
#
#    5 GLN  HA            8 ASP  HB-         3.50    (#   2652:25  Unique         2.27, 3.11 A)
 &rst
  ixpk= 2652, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 119, 120,
 &end
#
#    0 AMB  25-2:2653     8 ASP  HB-         4.50    (#   2653:25  Single Ambig)
 &rst
  ixpk= 2653, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  52,  53, 100, 101, 151, 152,
 igr2= 119, 120,
 &end
#
#    0 AMB  25-2:2654     8 ASP  HB-         4.50    (#   2654:25  Single Ambig)
 &rst
  ixpk= 2654, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  49,  50, 131, 132, 133,
 igr2= 119, 120,
 &end
#
#   71 GLY  HA+          70 THR  HB          5.50    (#   2655:25  Unique         5.09, 5.47 A)
 &rst
  ixpk= 2655, nxpk= 25, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1079,1080,
 &end
#
#   70 THR  MG2          70 THR  HB          3.50    (#   2656:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 2656, nxpk= 25, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1069,1070,1071,
 &end
#
#   74 THR  MG2          74 THR  HB          2.50    (#   2658:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 2658, nxpk= 25, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1121,1122,1123,
 &end
#
#   75 VAL  MGX          74 THR  HB          5.50    (#   2659:25  Unique         4.44, 5.86 A)
 &rst
  ixpk= 2659, nxpk= 25, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1135,1136,1137,1139,1140,1141,
 &end
#
#   66 LEU  MDY          26 PHE  HB+         5.50    (#   2660:25  Unique         3.31, 4.90 A)
 &rst
  ixpk= 2660, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 384, 385,
 &end
#
#    0 AMB  25-2:2661     0 AMB  25-1:2661   4.50    (#   2661:25  Double Ambig)
 &rst
  ixpk= 2661, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
 igr1=1135,1136,1137,1139,1140,1141,1135,1136,1137,1139,
      1140,1141, 945, 946, 947, 949, 950, 951,
 igr2= 384, 385, 384, 385, 384, 385,
 &end
#
#    0 AMB  25-2:2664     0 AMB  25-1:2664   4.50    (#   2664:25  Double Ambig)
 &rst
  ixpk= 2664, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 822, 823, 824, 826, 827, 828,1766,1767,1768,1770,
      1771,1772,
 igr2= 384, 385,1706,1707,
 &end
#
#   66 LEU  MDY          26 PHE  HB-         5.50    (#   2665:25  Unique         3.31, 4.90 A)
 &rst
  ixpk= 2665, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 384, 385,
 &end
#
#  114 PRO  HD+         113 ASN  HB-         5.50    (#   2668:25  Unique         2.20, 4.62 A)
 &rst
  ixpk= 2668, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1717,1718,
 igr2=1706,1707,
 &end
#
#    0 AMB  25-2:2670     0 AMB  25-1:2670   3.50    (#   2670:25  Double Ambig)
 &rst
  ixpk= 2670, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1638,1327,
 igr2=1706,1707,1329,1330,
 &end
#
#  114 PRO  HD+         113 ASN  HB+         5.50    (#   2671:25  Unique         2.20, 4.62 A)
 &rst
  ixpk= 2671, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1717,1718,
 igr2=1706,1707,
 &end
#
#  105 GLN  HB+         113 ASN  HB+         5.50    (#   2673:25  Unique         2.19, 5.12 A)
 &rst
  ixpk= 2673, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1601,1602,
 igr2=1706,1707,
 &end
#
#   92 VAL  MGY          89 ASP  HB+         5.50    (#   2674:25  Unique         4.53, 7.07 A)
 &rst
  ixpk= 2674, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1373,1374,1375,1377,1378,1379,
 igr2=1329,1330,
 &end
#
#   28 LYS  QG           54 ASP  HB-         5.50    (#   2675:25  Unique         2.27, 4.21 A)
 &rst
  ixpk= 2675, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 418, 419,
 igr2= 836, 837,
 &end
#
#   89 ASP  HA           89 ASP  HB-         3.50    (#   2678:25  Unique         2.44, 2.75 A)
 &rst
  ixpk= 2678, nxpk= 25, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1329,1330,
 &end
#
#    0 AMB  25-2:2679    89 ASP  HB-         5.50    (#   2679:25  Single Ambig)
 &rst
  ixpk= 2679, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1371,1387,1388,
 igr2=1329,1330,
 &end
#
#  102 PRO  HG+         101 LEU  QB          5.50    (#   2680:25  Unique         4.06, 5.15 A)
 &rst
  ixpk= 2680, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1549,1550,
 igr2=1530,1531,
 &end
#
#  102 PRO  HD+         101 LEU  QB          3.50    (#   2681:25  Unique         2.07, 3.15 A)
 &rst
  ixpk= 2681, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1546,1547,
 igr2=1530,1531,
 &end
#
#    0 AMB  25-2:2682   101 LEU  QB          4.50    (#   2682:25  Single Ambig)
 &rst
  ixpk= 2682, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1549,1550,1582,1583,
 igr2=1530,1531,
 &end
#
#  101 LEU  MDX         101 LEU  QB          2.50    (#   2683:25  Unique         2.39, 3.41 A)
 &rst
  ixpk= 2683, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1535,1536,1537,1539,1540,1541,
 igr2=1530,1531,
 &end
#
#  101 LEU  HA          101 LEU  QB          3.50    (#   2684:25  Unique         2.38, 2.78 A)
 &rst
  ixpk= 2684, nxpk= 25, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1530,1531,
 &end
#
#  102 PRO  HD-         101 LEU  QB          3.50    (#   2685:25  Unique         2.07, 3.15 A)
 &rst
  ixpk= 2685, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1546,1547,
 igr2=1530,1531,
 &end
#
#    0 AMB  25-2:2686   101 LEU  QB          5.50    (#   2686:25  Single Ambig)
 &rst
  ixpk= 2686, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1604,1605, 683,1552,1553,
 igr2=1530,1531,
 &end
#
#    0 AMB  25-2:2687   101 LEU  QB          4.50    (#   2687:25  Single Ambig)
 &rst
  ixpk= 2687, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1587,1588,1589,1591,1592,1593,1516,1517,1518,1520,
      1521,1522,
 igr2=1530,1531,
 &end
#
#   61 GLN  HB+          58 ASP  HB-         4.50    (#   2688:25  Unique         2.35, 5.26 A)
 &rst
  ixpk= 2688, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 923, 924,
 igr2= 893, 894,
 &end
#
#   29 THR  MG2          29 THR  HB          2.50    (#   2692:25  Unique         2.42, 2.66 A)
 &rst
  ixpk= 2692, nxpk= 25, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 439, 440, 441,
 &end
#
#   29 THR  HA           29 THR  HB          3.50    (#   2693:25  Unique         2.61, 2.64 A)
 &rst
  ixpk= 2693, nxpk= 25, iat= 435, 437, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TYR  HA           33 TYR  HB+         5.50    (#   2694:25  Unique         2.48, 2.77 A)
 &rst
  ixpk= 2694, nxpk= 25, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 489, 490,
 &end
#
#  109 ALA  MB          110 THR  HB          5.50    (#   2699:25  Unique         4.13, 6.07 A)
 &rst
  ixpk= 2699, nxpk= 25, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1650,1651,1652,
 &end
#
#  110 THR  MG2         110 THR  HB          2.50    (#   2700:25  Unique         2.35, 2.65 A)
 &rst
  ixpk= 2700, nxpk= 25, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1662,1663,1664,
 &end
#
#   35 ASN  HA           35 ASN  HB+         3.50    (#   2701:25  Unique         2.25, 2.71 A)
 &rst
  ixpk= 2701, nxpk= 25, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 521, 522,
 &end
#
#   32 GLY  QA           35 ASN  HB+         3.50    (#   2702:25  Unique         2.32, 3.93 A)
 &rst
  ixpk= 2702, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 480, 481,
 igr2= 521, 522,
 &end
#
#   35 ASN  HA           35 ASN  HB-         3.50    (#   2703:25  Unique         2.25, 2.71 A)
 &rst
  ixpk= 2703, nxpk= 25, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 521, 522,
 &end
#
#   32 GLY  QA           35 ASN  HB-         3.50    (#   2704:25  Unique         2.32, 3.93 A)
 &rst
  ixpk= 2704, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 480, 481,
 igr2= 521, 522,
 &end
#
#   28 LYS  QG           28 LYS  HB-         4.50    (#   2705:25  Unique         2.37, 2.75 A)
 &rst
  ixpk= 2705, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 418, 419,
 igr2= 415, 416,
 &end
#
#   39 GLN  HA           42 THR  HB          3.50    (#   2706:25  Unique         2.25, 2.36 A)
 &rst
  ixpk= 2706, nxpk= 25, iat= 595, 652, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:2707    42 THR  HB          5.50    (#   2707:25  Single Ambig)
 &rst
  ixpk= 2707, nxpk= 25, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 669, 670, 600, 601,
 &end
#
#    0 AMB  25-2:2708    42 THR  HB          5.50    (#   2708:25  Single Ambig)
 &rst
  ixpk= 2708, nxpk= 25, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 597, 598, 575, 576,
 &end
#
#   42 THR  MG2          42 THR  HB          2.50    (#   2709:25  Unique         2.42, 2.66 A)
 &rst
  ixpk= 2709, nxpk= 25, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 654, 655, 656,
 &end
#
#    6 GLU  HB+           6 GLU  HG+         2.50    (#   2710:25  Unique         2.25, 2.75 A)
 &rst
  ixpk= 2710, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=  85,  86,
 igr2=  88,  89,
 &end
#
#    6 GLU  HA            6 GLU  HG+         2.50    (#   2711:25  Unique         2.37, 2.81 A)
 &rst
  ixpk= 2711, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=  88,  89,
 &end
#
#    9 ALA  MB            6 GLU  HG+         4.50    (#   2712:25  Unique         3.62, 5.70 A)
 &rst
  ixpk= 2712, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 131, 132, 133,
 igr2=  88,  89,
 &end
#
#    0 AMB  25-2:2713     0 AMB  25-1:2713   2.50    (#   2713:25  Double Ambig)
 &rst
  ixpk= 2713, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=  85,  86,  68,  69,
 igr2=  88,  89,  88,  89,
 &end
#
#   85 ILE  HA           85 ILE  HB          4.50    (#   2714:25  Unique         3.00, 3.04 A)
 &rst
  ixpk= 2714, nxpk= 25, iat=1283,1285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 VAL  HB           85 ILE  HB          5.50    (#   2715:25  Unique         2.83, 3.04 A)
 &rst
  ixpk= 2715, nxpk= 25, iat=1177,1285, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:2716    85 ILE  HB          2.50    (#   2716:25  Single Ambig)
 &rst
  ixpk= 2716, nxpk= 25, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1287,1288,1289,1294,1295,1296,
 &end
#
#   85 ILE  HG1+         85 ILE  HB          3.50    (#   2717:25  Unique         2.38, 2.44 A)
 &rst
  ixpk= 2717, nxpk= 25, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1291,1292,
 &end
#
#   90 THR  MG2          90 THR  HB          3.50    (#   2719:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 2719, nxpk= 25, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1343,1344,1345,
 &end
#
#   86 GLY  HA-          90 THR  HB          5.50    (#   2720:25  Unique         2.55, 3.56 A)
 &rst
  ixpk= 2720, nxpk= 25, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1302,1303,
 &end
#
#    0 AMB  25-2:2721    90 THR  HB          5.50    (#   2721:25  Single Ambig)
 &rst
  ixpk= 2721, nxpk= 25, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   85 ILE  MG2          90 THR  HB          5.50    (#   2722:25  Unique         3.19, 4.46 A)
 &rst
  ixpk= 2722, nxpk= 25, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1287,1288,1289,
 &end
#
#   97 ARG  QD           93 GLU  HG+         4.50    (#   2724:25  Unique         2.13, 4.26 A)
 &rst
  ixpk= 2724, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1464,1465,
 igr2=1390,1391,
 &end
#
#    0 AMB  25-2:2725    93 GLU  HG-         5.50    (#   2725:25  Single Ambig)
 &rst
  ixpk= 2725, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1402,1403,1408,1409,
 igr2=1390,1391,
 &end
#
#   93 GLU  HA           93 GLU  HG-         3.50    (#   2727:25  Unique         2.36, 2.96 A)
 &rst
  ixpk= 2727, nxpk= 25, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1390,1391,
 &end
#
#    0 AMB  25-2:2729     0 AMB  25-1:2729   5.50    (#   2729:25  Double Ambig)
 &rst
  ixpk= 2729, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 170, 171, 192, 193,
 igr2= 249, 250, 249, 250,
 &end
#
#    0 AMB  25-2:2730     0 AMB  25-1:2730   4.50    (#   2730:25  Double Ambig)
 &rst
  ixpk= 2730, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 173, 174, 224, 225,
 igr2= 249, 250, 249, 250,
 &end
#
#   12 LYS  HG-          16 GLU  HG-         5.50    (#   2731:25  Unique         3.00, 6.18 A)
 &rst
  ixpk= 2731, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 173, 174,
 igr2= 249, 250,
 &end
#
#   16 GLU  HA           16 GLU  HG-         3.50    (#   2732:25  Unique         2.37, 3.12 A)
 &rst
  ixpk= 2732, nxpk= 25, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 249, 250,
 &end
#
#   97 ARG  HG-          93 GLU  HG+         5.50    (#   2734:25  Unique         2.72, 4.34 A)
 &rst
  ixpk= 2734, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1461,1462,
 igr2=1390,1391,
 &end
#
#    0 AMB  25-2:2735    16 GLU  HG-         5.50    (#   2735:25  Single Ambig)
 &rst
  ixpk= 2735, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 173, 174, 224, 225,
 igr2= 249, 250,
 &end
#
#    0 AMB  25-2:2736     0 AMB  25-1:2736   4.50    (#   2736:25  Double Ambig)
 &rst
  ixpk= 2736, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1461,1462,1405,1406,
 igr2=1390,1391,1390,1391,
 &end
#
#   17 LEU  HG           16 GLU  HG-         5.50    (#   2737:25  Unique         4.19, 5.50 A)
 &rst
  ixpk= 2737, nxpk= 25, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 249, 250,
 &end
#
#   96 GLN  HG+          93 GLU  HG-         5.50    (#   2738:25  Unique         3.94, 6.42 A)
 &rst
  ixpk= 2738, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1444,1445,
 igr2=1390,1391,
 &end
#
#   97 ARG  QD           93 GLU  HG-         5.50    (#   2739:25  Unique         2.13, 4.26 A)
 &rst
  ixpk= 2739, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1464,1465,
 igr2=1390,1391,
 &end
#
#    0 AMB  25-2:2740     0 AMB  25-1:2740   4.50    (#   2740:25  Double Ambig)
 &rst
  ixpk= 2740, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 190, 290, 291,
 igr2= 249, 250, 249, 250,
 &end
#
#   17 LEU  MDX          16 GLU  HG+         5.50    (#   2741:25  Unique         4.73, 7.53 A)
 &rst
  ixpk= 2741, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 266, 267, 268, 270, 271, 272,
 igr2= 249, 250,
 &end
#
#   16 GLU  HA           16 GLU  HG+         3.50    (#   2742:25  Unique         2.37, 3.12 A)
 &rst
  ixpk= 2742, nxpk= 25, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 249, 250,
 &end
#
#   99 GLU  HA           99 GLU  QG          3.50    (#   2744:25  Unique         2.49, 2.82 A)
 &rst
  ixpk= 2744, nxpk= 25, iat=1494,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1499,1500,
 &end
#
#   99 GLU  HB-          99 GLU  QG          2.50    (#   2745:25  Unique         2.34, 2.76 A)
 &rst
  ixpk= 2745, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1496,1497,
 igr2=1499,1500,
 &end
#
#    0 AMB  25-2:2746    99 GLU  QG          4.50    (#   2746:25  Single Ambig)
 &rst
  ixpk= 2746, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1458,1459,1405,1406,
 igr2=1499,1500,
 &end
#
#   94 LYS  QG           91 VAL  HA          5.50    (#   2747:25  Unique         3.78, 4.53 A)
 &rst
  ixpk= 2747, nxpk= 25, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1405,1406,
 &end
#
#    0 AMB  25-2:2748    91 VAL  HA          5.50    (#   2748:25  Single Ambig)
 &rst
  ixpk= 2748, nxpk= 25, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1373,1374,1375,1377,1378,1379,1373,1374,1375,1377,
      1378,1379,1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  25-2:2749    91 VAL  HA          5.50    (#   2749:25  Single Ambig)
 &rst
  ixpk= 2749, nxpk= 25, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1402,1403,1408,1409,
 &end
#
#   18 ALA  HA           24 VAL  HB          4.50    (#   2750:25  Unique         2.52, 2.60 A)
 &rst
  ixpk= 2750, nxpk= 25, iat= 278, 352, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 PHE  HB+          24 VAL  HB          4.50    (#   2751:25  Unique         2.25, 2.98 A)
 &rst
  ixpk= 2751, nxpk= 25, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1193,1194,
 &end
#
#   79 PHE  HB-          24 VAL  HB          5.50    (#   2752:25  Unique         2.25, 2.98 A)
 &rst
  ixpk= 2752, nxpk= 25, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#   24 VAL  MGY          24 VAL  HB          2.50    (#   2753:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 2753, nxpk= 25, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   24 VAL  MGX          24 VAL  HB          3.50    (#   2754:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 2754, nxpk= 25, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   24 VAL  MGX          49 LYS  HB+         5.50    (#   2755:25  Unique         2.24, 4.42 A)
 &rst
  ixpk= 2755, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 748, 749,
 &end
#
#   91 VAL  HB           91 VAL  HA          3.50    (#   2756:25  Unique         2.44, 2.47 A)
 &rst
  ixpk= 2756, nxpk= 25, iat=1355,1353, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:2757    91 VAL  HA          4.50    (#   2757:25  Single Ambig)
 &rst
  ixpk= 2757, nxpk= 25, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1287,1288,1289, 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:2758    91 VAL  HA          5.50    (#   2758:25  Single Ambig)
 &rst
  ixpk= 2758, nxpk= 25, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1511,1512,1343,1344,1345,
 &end
#
#    0 AMB  25-2:2759    91 VAL  HA          2.50    (#   2759:25  Single Ambig)
 &rst
  ixpk= 2759, nxpk= 25, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,1516,1517,1518,1520,1521,1522,
 &end
#
#   49 LYS  QD           49 LYS  HB+         3.50    (#   2761:25  Unique         2.37, 2.85 A)
 &rst
  ixpk= 2761, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 754, 755,
 igr2= 748, 749,
 &end
#
#    0 AMB  25-2:2762     0 AMB  25-1:2762   3.50    (#   2762:25  Double Ambig)
 &rst
  ixpk= 2762, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 751, 752, 312, 313, 314,
 igr2= 748, 749, 748, 749,
 &end
#
#   49 LYS  HG+          49 LYS  HB+         3.50    (#   2763:25  Unique         2.22, 2.74 A)
 &rst
  ixpk= 2763, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 751, 752,
 igr2= 748, 749,
 &end
#
#   49 LYS  QD           49 LYS  HB-         3.50    (#   2765:25  Unique         2.37, 2.85 A)
 &rst
  ixpk= 2765, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 754, 755,
 igr2= 748, 749,
 &end
#
#    0 AMB  25-2:2766    49 LYS  HB-         3.50    (#   2766:25  Single Ambig)
 &rst
  ixpk= 2766, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 751, 752, 312, 313, 314,
 igr2= 748, 749,
 &end
#
#    0 AMB  25-2:2767    49 LYS  HB-         4.50    (#   2767:25  Single Ambig)
 &rst
  ixpk= 2767, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 751, 752, 354, 355, 356, 358, 359, 360,
 igr2= 748, 749,
 &end
#
#    0 AMB  25-2:2768     0 AMB  25-1:2768   5.50    (#   2768:25  Double Ambig)
 &rst
  ixpk= 2768, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 508,1146,1147,
 igr2=1152,1153,1152,1153,
 &end
#
#    0 AMB  25-2:2770     0 AMB  25-1:2770   4.50    (#   2770:25  Double Ambig)
 &rst
  ixpk= 2770, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 370, 371, 372, 374, 375, 376, 561, 562, 563, 565,
       566, 567,
 igr2=1152,1153,1152,1153,
 &end
#
#   37 VAL  MGX          76 PRO  HB-         3.50    (#   2772:25  Unique         2.68, 4.58 A)
 &rst
  ixpk= 2772, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2=1152,1153,
 &end
#
#    0 AMB  25-2:2773    76 PRO  HB-         5.50    (#   2773:25  Single Ambig)
 &rst
  ixpk= 2773, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 508,1146,1147,
 igr2=1152,1153,
 &end
#
#   45 GLY  HA+          42 THR  HA          5.50    (#   2774:25  Unique         3.27, 4.48 A)
 &rst
  ixpk= 2774, nxpk= 25, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 697, 698,
 &end
#
#   39 GLN  HA           42 THR  HA          5.50    (#   2775:25  Unique         5.04, 5.14 A)
 &rst
  ixpk= 2775, nxpk= 25, iat= 595, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 THR  MG2          42 THR  HA          2.50    (#   2776:25  Unique         2.54, 3.18 A)
 &rst
  ixpk= 2776, nxpk= 25, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 654, 655, 656,
 &end
#
#   95 HIS  HB+          92 VAL  HA          4.50    (#   2777:25  Unique         2.53, 3.10 A)
 &rst
  ixpk= 2777, nxpk= 25, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1424,1425,
 &end
#
#   92 VAL  HB           92 VAL  HA          4.50    (#   2778:25  Unique         2.42, 2.98 A)
 &rst
  ixpk= 2778, nxpk= 25, iat=1371,1369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92 VAL  MGY          92 VAL  HA          2.50    (#   2779:25  Unique         2.47, 3.21 A)
 &rst
  ixpk= 2779, nxpk= 25, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#    0 AMB  25-2:2780    92 VAL  HA          4.50    (#   2780:25  Single Ambig)
 &rst
  ixpk= 2780, nxpk= 25, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,1516,1517,1518,1520,1521,1522,1516,1517,
      1518,1520,1521,1522,
 &end
#
#   40 LEU  MDX          92 VAL  HA          5.50    (#   2781:25  Unique         2.26, 3.40 A)
 &rst
  ixpk= 2781, nxpk= 25, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   40 LEU  HG           92 VAL  HA          4.50    (#   2782:25  Unique         4.52, 4.54 A)
 &rst
  ixpk= 2782, nxpk= 25, iat= 617,1369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 LEU  HG           37 VAL  HA          5.50    (#   2783:25  Unique         4.93, 5.06 A)
 &rst
  ixpk= 2783, nxpk= 25, iat= 617, 557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:2784    37 VAL  HA          3.50    (#   2784:25  Single Ambig)
 &rst
  ixpk= 2784, nxpk= 25, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 559,1355,
 &end
#
#    0 AMB  25-2:2785    37 VAL  HA          3.50    (#   2785:25  Single Ambig)
 &rst
  ixpk= 2785, nxpk= 25, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 614, 615, 636,
 &end
#
#   40 LEU  MDY          37 VAL  HA          5.50    (#   2786:25  Unique         3.43, 4.97 A)
 &rst
  ixpk= 2786, nxpk= 25, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   37 VAL  MGY          37 VAL  HA          3.50    (#   2787:25  Unique         2.32, 3.13 A)
 &rst
  ixpk= 2787, nxpk= 25, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  25-2:2788    37 VAL  HA          3.50    (#   2788:25  Single Ambig)
 &rst
  ixpk= 2788, nxpk= 25, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
      1362,1363,1357,1358,1359,1361,1362,1363,
 &end
#
#   40 LEU  MDX          37 VAL  HA          5.50    (#   2789:25  Unique         3.43, 4.97 A)
 &rst
  ixpk= 2789, nxpk= 25, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   61 GLN  HB-          61 GLN  HG-         3.50    (#   2790:25  Unique         2.38, 2.77 A)
 &rst
  ixpk= 2790, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 923, 924,
 igr2= 926, 927,
 &end
#
#   10 ALA  MB           61 GLN  HG-         4.50    (#   2791:25  Unique         2.55, 5.78 A)
 &rst
  ixpk= 2791, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 141, 142, 143,
 igr2= 926, 927,
 &end
#
#   48 TYR  HB+          23 VAL  HB          4.50    (#   2792:25  Unique         2.27, 2.52 A)
 &rst
  ixpk= 2792, nxpk= 25, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 728,
 &end
#
#   23 VAL  MGX          23 VAL  HB          3.50    (#   2793:25  Unique         2.36, 2.64 A)
 &rst
  ixpk= 2793, nxpk= 25, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#  102 PRO  HB-         102 PRO  HA          3.50    (#   2795:25  Unique         2.26, 2.68 A)
 &rst
  ixpk= 2795, nxpk= 25, iat=  -1,1555, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1552,1553,
 &end
#
#   93 GLU  HB+          90 THR  HA          4.50    (#   2796:25  Unique         2.76, 3.38 A)
 &rst
  ixpk= 2796, nxpk= 25, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1387,1388,
 &end
#
#   93 GLU  HB-          90 THR  HA          4.50    (#   2797:25  Unique         2.76, 3.38 A)
 &rst
  ixpk= 2797, nxpk= 25, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1387,1388,
 &end
#
#   90 THR  MG2          90 THR  HA          3.50    (#   2798:25  Unique         2.35, 2.98 A)
 &rst
  ixpk= 2798, nxpk= 25, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1343,1344,1345,
 &end
#
#   93 GLU  HA           96 GLN  HG-         4.50    (#   2801:25  Unique         2.19, 3.95 A)
 &rst
  ixpk= 2801, nxpk= 25, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1444,1445,
 &end
#
#   92 VAL  MGX          96 GLN  HG-         4.50    (#   2803:25  Unique         2.96, 5.78 A)
 &rst
  ixpk= 2803, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1373,1374,1375,1377,1378,1379,
 igr2=1444,1445,
 &end
#
#   58 ASP  HB-          61 GLN  HG-         5.50    (#   2804:25  Unique         2.36, 5.96 A)
 &rst
  ixpk= 2804, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 893, 894,
 igr2= 926, 927,
 &end
#
#  106 ASP  HB+         105 GLN  HG-         5.50    (#   2805:25  Unique         6.51, 6.98 A)
 &rst
  ixpk= 2805, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1618,1619,
 igr2=1604,1605,
 &end
#
#    0 AMB  25-2:2806   105 GLN  HG-         5.50    (#   2806:25  Single Ambig)
 &rst
  ixpk= 2806, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1684,1685,1684,1685,1533,
 igr2=1604,1605,
 &end
#
#   58 ASP  HB-          61 GLN  HG+         5.50    (#   2808:25  Unique         2.36, 5.96 A)
 &rst
  ixpk= 2808, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 893, 894,
 igr2= 926, 927,
 &end
#
#    0 AMB  25-2:2809     0 AMB  25-1:2809   4.50    (#   2809:25  Double Ambig)
 &rst
  ixpk= 2809, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1687,1688, 141, 142, 143,
 igr2=1604,1605, 926, 927,
 &end
#
#    0 AMB  25-2:2810     0 AMB  25-1:2810   3.50    (#   2810:25  Double Ambig)
 &rst
  ixpk= 2810, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 822, 823, 824, 826, 827, 828,1766,1767,1768,1770,
      1771,1772,1766,1767,1768,1770,1771,1772,
 igr2= 962, 963,1604,1605,1604,1605,
 &end
#
#   80 ILE  HG1+         23 VAL  HB          5.50    (#   2812:25  Unique         4.39, 5.19 A)
 &rst
  ixpk= 2812, nxpk= 25, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1219,1220,
 &end
#
#   23 VAL  MGX          23 VAL  HB          4.50    (#   2813:25  Unique         2.36, 2.64 A)
 &rst
  ixpk= 2813, nxpk= 25, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:2814    23 VAL  HB          5.50    (#   2814:25  Single Ambig)
 &rst
  ixpk= 2814, nxpk= 25, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 706, 707, 708, 312, 313, 314,
 &end
#
#   23 VAL  MGY          23 VAL  HB          3.50    (#   2815:25  Unique         2.36, 2.64 A)
 &rst
  ixpk= 2815, nxpk= 25, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   50 VAL  MGX          25 VAL  HB          4.50    (#   2818:25  Unique         2.39, 3.84 A)
 &rst
  ixpk= 2818, nxpk= 25, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 772, 773, 774, 776, 777, 778,
 &end
#
#   50 VAL  MGY          25 VAL  HB          4.50    (#   2819:25  Unique         2.39, 3.84 A)
 &rst
  ixpk= 2819, nxpk= 25, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 772, 773, 774, 776, 777, 778,
 &end
#
#   25 VAL  MGX          25 VAL  HB          3.50    (#   2820:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 2820, nxpk= 25, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   25 VAL  MGY          25 VAL  HB          3.50    (#   2821:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 2821, nxpk= 25, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#  102 PRO  HD-         102 PRO  HA          5.50    (#   2823:25  Unique         3.33, 3.66 A)
 &rst
  ixpk= 2823, nxpk= 25, iat=  -1,1555, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1546,1547,
 &end
#
#    0 AMB  25-2:2824     0 AMB  25-1:2824   3.50    (#   2824:25  Double Ambig)
 &rst
  ixpk= 2824, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1549,1550, 322, 323,
 igr2=1555, 328,
 &end
#
#   81 GLY  HA-          22 PRO  HA          5.50    (#   2825:25  Unique         3.22, 4.30 A)
 &rst
  ixpk= 2825, nxpk= 25, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1230,1231,
 &end
#
#    0 AMB  25-2:2826     0 AMB  25-1:2826   2.50    (#   2826:25  Double Ambig)
 &rst
  ixpk= 2826, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1552,1553, 325, 326,
 igr2=1555, 328,
 &end
#
#    0 AMB  25-2:2827     0 AMB  25-1:2827   2.50    (#   2827:25  Double Ambig)
 &rst
  ixpk= 2827, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1601,1602, 325, 326,1549,1550,
 igr2=1555, 328,
 &end
#
#    0 AMB  25-2:2828    22 PRO  HA          5.50    (#   2828:25  Single Ambig)
 &rst
  ixpk= 2828, nxpk= 25, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 338, 339, 340, 342, 343, 344, 354, 355, 356, 358,
       359, 360,
 &end
#
#   96 GLN  HA           96 GLN  HG-         3.50    (#   2829:25  Unique         2.42, 3.10 A)
 &rst
  ixpk= 2829, nxpk= 25, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1444,1445,
 &end
#
#   96 GLN  HB+          96 GLN  HG-         3.50    (#   2830:25  Unique         2.31, 2.70 A)
 &rst
  ixpk= 2830, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1441,1442,
 igr2=1444,1445,
 &end
#
#   96 GLN  HB-          96 GLN  HG-         3.50    (#   2831:25  Unique         2.31, 2.70 A)
 &rst
  ixpk= 2831, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1441,1442,
 igr2=1444,1445,
 &end
#
#   42 THR  HB            0 AMB  25-1:2833   4.50    (#   2833:25  Single Ambig)
 &rst
  ixpk= 2833, nxpk= 25, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 669, 670, 600, 601,
 &end
#
#    0 AMB  25-2:2834    43 GLN  HG-         2.50    (#   2834:25  Single Ambig)
 &rst
  ixpk= 2834, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 612, 664,
 igr2= 669, 670,
 &end
#
#    0 AMB  25-2:2836     0 AMB  25-1:2836   2.50    (#   2836:25  Double Ambig)
 &rst
  ixpk= 2836, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 597, 598, 575, 576,
 igr2= 600, 601, 600, 601,
 &end
#
#   44 VAL  MGY          43 GLN  HG-         5.50    (#   2837:25  Unique         5.29, 7.57 A)
 &rst
  ixpk= 2837, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 685, 686, 687, 689, 690, 691,
 igr2= 669, 670,
 &end
#
#    0 AMB  25-2:2838   105 GLN  HG-         4.50    (#   2838:25  Single Ambig)
 &rst
  ixpk= 2838, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1682,1555,1660,1742,
 igr2=1604,1605,
 &end
#
#    0 AMB  25-2:2839     0 AMB  25-1:2839   3.50    (#   2839:25  Double Ambig)
 &rst
  ixpk= 2839, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1599,  66,
 igr2=1604,1605,  71,  72,
 &end
#
#   96 GLN  HA           96 GLN  HG+         3.50    (#   2840:25  Unique         2.42, 3.10 A)
 &rst
  ixpk= 2840, nxpk= 25, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1444,1445,
 &end
#
#    0 AMB  25-2:2842     0 AMB  25-1:2842   2.50    (#   2842:25  Double Ambig)
 &rst
  ixpk= 2842, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1601,1602,1441,1442,1458,1459,
 igr2=1604,1605,1444,1445,1444,1445,
 &end
#
#    0 AMB  25-2:2843     0 AMB  25-1:2843   2.50    (#   2843:25  Double Ambig)
 &rst
  ixpk= 2843, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=  68,  69,  68,  69,1601,1602,
 igr2=  71,  72,1604,1605,
 &end
#
#  101 LEU  MDY         105 GLN  HG-         5.50    (#   2844:25  Unique         2.26, 4.96 A)
 &rst
  ixpk= 2844, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1535,1536,1537,1539,1540,1541,
 igr2=1604,1605,
 &end
#
#   92 VAL  MGX          96 GLN  HG+         4.50    (#   2845:25  Unique         2.96, 5.78 A)
 &rst
  ixpk= 2845, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1373,1374,1375,1377,1378,1379,
 igr2=1444,1445,
 &end
#
#  106 ASP  HB+         105 GLN  HG-         5.50    (#   2846:25  Unique         6.51, 6.98 A)
 &rst
  ixpk= 2846, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1618,1619,
 igr2=1604,1605,
 &end
#
#  113 ASN  HB+         105 GLN  HG+         5.50    (#   2847:25  Unique         2.67, 5.30 A)
 &rst
  ixpk= 2847, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1706,1707,
 igr2=1604,1605,
 &end
#
#    0 AMB  25-2:2848     0 AMB  25-1:2848   4.50    (#   2848:25  Double Ambig)
 &rst
  ixpk= 2848, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1684,1685,1684,1685,1533,
 igr2=1604,1605,1604,1605,1604,1605,
 &end
#
#    0 AMB  25-2:2849     0 AMB  25-1:2849   4.50    (#   2849:25  Double Ambig)
 &rst
  ixpk= 2849, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=1535,1536,1537,1539,1540,1541,1662,1663,1664, 822,
       823, 824, 826, 827, 828,
 igr2=1604,1605,1604,1605, 962, 963,
 &end
#
#    0 AMB  25-2:2850     0 AMB  25-1:2850   3.50    (#   2850:25  Double Ambig)
 &rst
  ixpk= 2850, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1742,1555, 652,1660, 974,
 igr2=1747,1748,1604,1605, 669, 670,1604,1605, 962, 963,
      1604,1605,
 &end
#
#   63 GLN  HA           63 GLN  QG          3.50    (#   2851:25  Unique         2.30, 3.10 A)
 &rst
  ixpk= 2851, nxpk= 25, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 962, 963,
 &end
#
#    0 AMB  25-2:2852     0 AMB  25-1:2852   4.50    (#   2852:25  Double Ambig)
 &rst
  ixpk= 2852, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1766,1767,1768,1770,1771,1772,1135,1136,1137,1139,
      1140,1141,
 igr2=1604,1605, 962, 963,
 &end
#
#   21 ALA  MB           22 PRO  HA          5.50    (#   2858:25  Unique         4.97, 5.46 A)
 &rst
  ixpk= 2858, nxpk= 25, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 312, 313, 314,
 &end
#
#    0 AMB  25-2:2859    22 PRO  HA          4.50    (#   2859:25  Single Ambig)
 &rst
  ixpk= 2859, nxpk= 25, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 319, 320, 319, 320,
 &end
#
#  107 ALA  MB           22 PRO  HA          4.50    (#   2860:25  Unique         3.55, 4.97 A)
 &rst
  ixpk= 2860, nxpk= 25, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1630,1631,1632,
 &end
#
#   25 VAL  MGX          27 SER  HB+         5.50    (#   2863:25  Unique         2.15, 5.83 A)
 &rst
  ixpk= 2863, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 370, 371, 372, 374, 375, 376,
 igr2= 404, 405,
 &end
#
#   50 VAL  MGY          27 SER  HB+         4.50    (#   2865:25  Unique         2.48, 5.49 A)
 &rst
  ixpk= 2865, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 772, 773, 774, 776, 777, 778,
 igr2= 404, 405,
 &end
#
#   50 VAL  MGY          27 SER  HB-         4.50    (#   2867:25  Unique         2.48, 5.49 A)
 &rst
  ixpk= 2867, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 772, 773, 774, 776, 777, 778,
 igr2= 404, 405,
 &end
#
#   25 VAL  MGX          27 SER  HB-         5.50    (#   2868:25  Unique         2.15, 5.83 A)
 &rst
  ixpk= 2868, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 370, 371, 372, 374, 375, 376,
 igr2= 404, 405,
 &end
#
#    0 AMB  25-2:2869     0 AMB  25-1:2869   5.50    (#   2869:25  Double Ambig)
 &rst
  ixpk= 2869, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 614, 615, 538, 539,
 igr2= 669, 670, 600, 601, 600, 601,
 &end
#
#   42 THR  MG2          43 GLN  HG-         5.50    (#   2870:25  Unique         3.85, 5.52 A)
 &rst
  ixpk= 2870, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 654, 655, 656,
 igr2= 669, 670,
 &end
#
#    0 AMB  25-2:2871    39 GLN  HG-         5.50    (#   2871:25  Single Ambig)
 &rst
  ixpk= 2871, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 521, 522, 584, 585,
 igr2= 600, 601,
 &end
#
#    0 AMB  25-2:2872     0 AMB  25-1:2872   2.50    (#   2872:25  Double Ambig)
 &rst
  ixpk= 2872, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=1744,1745, 597, 598,
 igr2=1747,1748, 600, 601,
 &end
#
#   50 VAL  MGX          50 VAL  HB          2.50    (#   2874:25  Unique         2.35, 2.66 A)
 &rst
  ixpk= 2874, nxpk= 25, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 772, 773, 774, 776, 777, 778,
 &end
#
#   50 VAL  MGY          50 VAL  HB          2.50    (#   2875:25  Unique         2.35, 2.66 A)
 &rst
  ixpk= 2875, nxpk= 25, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 772, 773, 774, 776, 777, 778,
 &end
#
#   83 LYS  QG           83 LYS  QB          2.50    (#   2876:25  Unique         2.39, 2.76 A)
 &rst
  ixpk= 2876, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1249,1250,
 igr2=1246,1247,
 &end
#
#   29 THR  HB           29 THR  HA          3.50    (#   2880:25  Unique         2.61, 2.64 A)
 &rst
  ixpk= 2880, nxpk= 25, iat= 437, 435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 GLU  QG           29 THR  HA          5.50    (#   2881:25  Unique         2.61, 4.06 A)
 &rst
  ixpk= 2881, nxpk= 25, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 805, 806,
 &end
#
#   29 THR  MG2          29 THR  HA          3.50    (#   2882:25  Unique         2.37, 2.95 A)
 &rst
  ixpk= 2882, nxpk= 25, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 439, 440, 441,
 &end
#
#   78 VAL  MGY          78 VAL  HB          2.50    (#   2883:25  Unique         2.42, 2.67 A)
 &rst
  ixpk= 2883, nxpk= 25, iat=  -1,1177, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1179,1180,1181,1183,1184,1185,
 &end
#
#   84 GLN  HA           84 GLN  HG-         4.50    (#   2884:25  Unique         2.29, 3.01 A)
 &rst
  ixpk= 2884, nxpk= 25, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1271,1272,
 &end
#
#   70 THR  MG2          84 GLN  HG+         4.50    (#   2885:25  Unique         2.32, 3.75 A)
 &rst
  ixpk= 2885, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1069,1070,1071,
 igr2=1271,1272,
 &end
#
#   84 GLN  HA           84 GLN  HG+         4.50    (#   2886:25  Unique         2.29, 3.01 A)
 &rst
  ixpk= 2886, nxpk= 25, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1271,1272,
 &end
#
#    0 AMB  25-2:2887     3 SER  HB-         5.50    (#   2887:25  Single Ambig)
 &rst
  ixpk= 2887, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  68,  69,  68,  69,
 igr2=  35,  36,
 &end
#
#   38 LYS  HG+          52 GLU  QG          5.50    (#   2888:25  Unique         6.07, 6.75 A)
 &rst
  ixpk= 2888, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 578, 579,
 igr2= 805, 806,
 &end
#
#   38 LYS  HA           38 LYS  HB+         4.50    (#   2889:25  Unique         2.44, 2.79 A)
 &rst
  ixpk= 2889, nxpk= 25, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 575, 576,
 &end
#
#   50 VAL  MGX          52 GLU  QG          5.50    (#   2890:25  Unique         2.16, 4.71 A)
 &rst
  ixpk= 2890, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 772, 773, 774, 776, 777, 778,
 igr2= 805, 806,
 &end
#
#   38 LYS  HG+          38 LYS  HB+         5.50    (#   2891:25  Unique         2.39, 2.78 A)
 &rst
  ixpk= 2891, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 578, 579,
 igr2= 575, 576,
 &end
#
#  112 LYS  HA          112 LYS  HB+         3.50    (#   2893:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 2893, nxpk= 25, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1684,1685,
 &end
#
#   84 GLN  HB-          84 GLN  HG-         3.50    (#   2895:25  Unique         2.24, 2.64 A)
 &rst
  ixpk= 2895, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1268,1269,
 igr2=1271,1272,
 &end
#
#   70 THR  MG2          84 GLN  HG-         3.50    (#   2896:25  Unique         2.32, 3.75 A)
 &rst
  ixpk= 2896, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1069,1070,1071,
 igr2=1271,1272,
 &end
#
#  112 LYS  HA          112 LYS  HB-         4.50    (#   2897:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 2897, nxpk= 25, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1684,1685,
 &end
#
#  112 LYS  QG          112 LYS  HB-         2.50    (#   2898:25  Unique         2.29, 2.73 A)
 &rst
  ixpk= 2898, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1687,1688,
 igr2=1684,1685,
 &end
#
#   84 GLN  HB-          84 GLN  HG+         3.50    (#   2900:25  Unique         2.24, 2.64 A)
 &rst
  ixpk= 2900, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1268,1269,
 igr2=1271,1272,
 &end
#
#   52 GLU  HB-          52 GLU  QG          2.50    (#   2906:25  Unique         2.25, 2.75 A)
 &rst
  ixpk= 2906, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 802, 803,
 igr2= 805, 806,
 &end
#
#   50 VAL  MGY          52 GLU  QG          3.50    (#   2907:25  Unique         2.16, 4.71 A)
 &rst
  ixpk= 2907, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 772, 773, 774, 776, 777, 778,
 igr2= 805, 806,
 &end
#
#   24 VAL  MGX          51 VAL  HB          5.50    (#   2909:25  Unique         3.75, 6.42 A)
 &rst
  ixpk= 2909, nxpk= 25, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:2910    51 VAL  HB          2.50    (#   2910:25  Single Ambig)
 &rst
  ixpk= 2910, nxpk= 25, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 788, 789, 790, 792, 793, 794, 822, 823, 824, 826,
       827, 828,
 &end
#
#   51 VAL  MGX          51 VAL  HB          3.50    (#   2911:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 2911, nxpk= 25, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:2913     0 AMB  25-1:2913   5.50    (#   2913:25  Double Ambig)
 &rst
  ixpk= 2913, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 149, 244,
 igr2= 192, 193, 170, 171,
 &end
#
#   12 LYS  HG-          12 LYS  QB          2.50    (#   2914:25  Unique         2.26, 2.76 A)
 &rst
  ixpk= 2914, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 173, 174,
 igr2= 170, 171,
 &end
#
#   11 LEU  MDX          12 LYS  QB          4.50    (#   2915:25  Unique         3.66, 6.38 A)
 &rst
  ixpk= 2915, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 156, 157, 158, 160, 161, 162,
 igr2= 170, 171,
 &end
#
#    0 AMB  25-2:2916     0 AMB  25-1:2916   2.50    (#   2916:25  Double Ambig)
 &rst
  ixpk= 2916, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=  44, 129,
 igr2=  46,  47, 170, 171,
 &end
#
#   12 LYS  HA           12 LYS  QB          2.50    (#   2917:25  Unique         2.44, 2.78 A)
 &rst
  ixpk= 2917, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 170, 171,
 &end
#
#   12 LYS  QE           12 LYS  QB          4.50    (#   2918:25  Unique         2.15, 4.35 A)
 &rst
  ixpk= 2918, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 179, 180,
 igr2= 170, 171,
 &end
#
#   12 LYS  QD           12 LYS  QB          2.50    (#   2919:25  Unique         2.36, 2.90 A)
 &rst
  ixpk= 2919, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 176, 177,
 igr2= 170, 171,
 &end
#
#    0 AMB  25-2:2920     0 AMB  25-1:2920   2.50    (#   2920:25  Double Ambig)
 &rst
  ixpk= 2920, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 173, 174,  49,  50,  49,  50,
 igr2= 170, 171,  46,  47,
 &end
#
#    0 AMB  25-2:2921     0 AMB  25-1:2921   5.50    (#   2921:25  Double Ambig)
 &rst
  ixpk= 2921, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1461,1462, 170, 171,
 igr2=1402,1403, 224, 225,
 &end
#
#    0 AMB  25-2:2923    34 CYS  HA          3.50    (#   2923:25  Single Ambig)
 &rst
  ixpk= 2923, nxpk= 25, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 510, 511,1146,1147,
 &end
#
#   34 CYS  HB-          34 CYS  HA          4.50    (#   2924:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 2924, nxpk= 25, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 510, 511,
 &end
#
#   76 PRO  HB+          34 CYS  HA          4.50    (#   2925:25  Unique         2.27, 3.18 A)
 &rst
  ixpk= 2925, nxpk= 25, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1152,1153,
 &end
#
#   37 VAL  HB           34 CYS  HA          4.50    (#   2926:25  Unique         2.60, 2.92 A)
 &rst
  ixpk= 2926, nxpk= 25, iat= 559, 508, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 VAL  MGY          34 CYS  HA          4.50    (#   2927:25  Unique         3.31, 4.81 A)
 &rst
  ixpk= 2927, nxpk= 25, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  25-2:2928    34 CYS  HA          3.50    (#   2928:25  Single Ambig)
 &rst
  ixpk= 2928, nxpk= 25, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1149,1150,1152,1153,
 &end
#
#    0 AMB  25-2:2929     0 AMB  25-1:2929   4.50    (#   2929:25  Double Ambig)
 &rst
  ixpk= 2929, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 319, 320, 319, 320,
 igr2= 325, 326, 325, 326,
 &end
#
#    0 AMB  25-2:2931     0 AMB  25-1:2931   3.50    (#   2931:25  Double Ambig)
 &rst
  ixpk= 2931, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1650,1651,1652,1630,1631,1632,
 igr2= 325, 326, 325, 326,
 &end
#
#   23 VAL  MGX          22 PRO  HB+         5.50    (#   2932:25  Unique         2.87, 6.13 A)
 &rst
  ixpk= 2932, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2= 325, 326,
 &end
#
#    0 AMB  25-2:2935    22 PRO  HB-         4.50    (#   2935:25  Single Ambig)
 &rst
  ixpk= 2935, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 319, 320, 319, 320,
 igr2= 325, 326,
 &end
#
#    0 AMB  25-2:2936    22 PRO  HB-         2.50    (#   2936:25  Single Ambig)
 &rst
  ixpk= 2936, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1650,1651,1652,1630,1631,1632,
 igr2= 325, 326,
 &end
#
#   94 LYS  HA           94 LYS  HB+         4.50    (#   2937:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 2937, nxpk= 25, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1402,1403,
 &end
#
#   91 VAL  HA           94 LYS  HB+         5.50    (#   2938:25  Unique         2.38, 3.35 A)
 &rst
  ixpk= 2938, nxpk= 25, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1402,1403,
 &end
#
#   94 LYS  QG           94 LYS  HB+         3.50    (#   2939:25  Unique         2.43, 2.78 A)
 &rst
  ixpk= 2939, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1405,1406,
 igr2=1402,1403,
 &end
#
#    4 LYS  HA            4 LYS  HB+         2.50    (#   2941:25  Unique         2.41, 2.70 A)
 &rst
  ixpk= 2941, nxpk= 25, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=  46,  47,
 &end
#
#    0 AMB  25-2:2942     0 AMB  25-1:2942   2.50    (#   2942:25  Double Ambig)
 &rst
  ixpk= 2942, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=  49,  50,  49,  50,1402,1403,
 igr2=  46,  47,  46,  47,1496,1497,
 &end
#
#   94 LYS  HA           94 LYS  HB-         4.50    (#   2943:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 2943, nxpk= 25, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1402,1403,
 &end
#
#  100 LEU  HB-          94 LYS  HB-         5.50    (#   2944:25  Unique         2.37, 3.36 A)
 &rst
  ixpk= 2944, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1511,1512,
 igr2=1402,1403,
 &end
#
#    0 AMB  25-2:2945     0 AMB  25-1:2945   5.50    (#   2945:25  Double Ambig)
 &rst
  ixpk= 2945, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 156, 157, 158, 160, 161, 162,1568,1569,1570,1572,
      1573,1574,1568,1569,1570,1572,1573,1574,
 igr2= 224, 225,1402,1403,
 &end
#
#    0 AMB  25-2:2946    15 LYS  QB          3.50    (#   2946:25  Single Ambig)
 &rst
  ixpk= 2946, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 222, 168,
 igr2= 224, 225,
 &end
#
#    0 AMB  25-2:2948     0 AMB  25-1:2948   2.50    (#   2948:25  Double Ambig)
 &rst
  ixpk= 2948, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 233, 234,1405,1406,
 igr2= 224, 225,1402,1403,
 &end
#
#   15 LYS  QD           15 LYS  QB          3.50    (#   2949:25  Unique         2.45, 2.84 A)
 &rst
  ixpk= 2949, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 230, 231,
 igr2= 224, 225,
 &end
#
#    0 AMB  25-2:2950    94 LYS  HB-         4.50    (#   2950:25  Single Ambig)
 &rst
  ixpk= 2950, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
      1521,1522,
 igr2=1402,1403,
 &end
#
#   15 LYS  HG-          15 LYS  QB          3.50    (#   2951:25  Unique         2.37, 2.76 A)
 &rst
  ixpk= 2951, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 227, 228,
 igr2= 224, 225,
 &end
#
#   15 LYS  HG+          15 LYS  QB          4.50    (#   2952:25  Unique         2.37, 2.76 A)
 &rst
  ixpk= 2952, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 227, 228,
 igr2= 224, 225,
 &end
#
#   82 GLY  HA-          19 SER  HB+         5.50    (#   2953:25  Unique         2.99, 5.17 A)
 &rst
  ixpk= 2953, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1237,1238,
 igr2= 290, 291,
 &end
#
#   18 ALA  MB           19 SER  HB+         5.50    (#   2955:25  Unique         4.10, 6.05 A)
 &rst
  ixpk= 2955, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 280, 281, 282,
 igr2= 290, 291,
 &end
#
#   37 VAL  MGX          34 CYS  HA          4.50    (#   2957:25  Unique         3.31, 4.81 A)
 &rst
  ixpk= 2957, nxpk= 25, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#   22 PRO  HG+          22 PRO  HB+         3.50    (#   2958:25  Unique         2.39, 2.64 A)
 &rst
  ixpk= 2958, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 322, 323,
 igr2= 325, 326,
 &end
#
#  114 PRO  HA          114 PRO  HB-         3.50    (#   2959:25  Unique         2.26, 2.60 A)
 &rst
  ixpk= 2959, nxpk= 25, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1723,1724,
 &end
#
#  114 PRO  HD-         114 PRO  HB-         4.50    (#   2960:25  Unique         2.76, 3.68 A)
 &rst
  ixpk= 2960, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1717,1718,
 igr2=1723,1724,
 &end
#
#    0 AMB  25-2:2962    75 VAL  HB          3.50    (#   2962:25  Single Ambig)
 &rst
  ixpk= 2962, nxpk= 25, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1135,1136,1137,1139,1140,1141,1135,1136,1137,1139,
      1140,1141,
 &end
#
#   92 VAL  HA           92 VAL  HB          4.50    (#   2964:25  Unique         2.42, 2.98 A)
 &rst
  ixpk= 2964, nxpk= 25, iat=1369,1371, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 PRO  HA           22 PRO  HB-         2.50    (#   2965:25  Unique         2.30, 2.52 A)
 &rst
  ixpk= 2965, nxpk= 25, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 325, 326,
 &end
#
#   94 LYS  HA           99 GLU  HB+         5.50    (#   2966:25  Unique         2.55, 3.33 A)
 &rst
  ixpk= 2966, nxpk= 25, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1496,1497,
 &end
#
#   97 ARG  HB-          99 GLU  HB+         5.50    (#   2968:25  Unique         2.35, 3.44 A)
 &rst
  ixpk= 2968, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1458,1459,
 igr2=1496,1497,
 &end
#
#   99 GLU  QG           94 LYS  HB+         4.50    (#   2969:25  Unique         3.53, 5.39 A)
 &rst
  ixpk= 2969, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1499,1500,
 igr2=1402,1403,
 &end
#
#  114 PRO  HA          114 PRO  HB+         4.50    (#   2970:25  Unique         2.26, 2.60 A)
 &rst
  ixpk= 2970, nxpk= 25, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1723,1724,
 &end
#
#  114 PRO  HD+         114 PRO  HB+         4.50    (#   2971:25  Unique         2.76, 3.68 A)
 &rst
  ixpk= 2971, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1717,1718,
 igr2=1723,1724,
 &end
#
#   99 GLU  HA           99 GLU  HB-         5.50    (#   2973:25  Unique         2.48, 2.77 A)
 &rst
  ixpk= 2973, nxpk= 25, iat=1494,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1496,1497,
 &end
#
#   99 GLU  QG           99 GLU  HB-         3.50    (#   2974:25  Unique         2.34, 2.76 A)
 &rst
  ixpk= 2974, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1499,1500,
 igr2=1496,1497,
 &end
#
#    8 ASP  HA            0 AMB  25-1:2976   5.50    (#   2976:25  Single Ambig)
 &rst
  ixpk= 2976, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 170, 171,  46,  47,
 &end
#
#   15 LYS  HA           19 SER  HB+         5.50    (#   2978:25  Unique         5.12, 6.02 A)
 &rst
  ixpk= 2978, nxpk= 25, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 290, 291,
 &end
#
#   22 PRO  HG-          47 SER  HB+         5.50    (#   2979:25  Unique         2.55, 3.74 A)
 &rst
  ixpk= 2979, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 322, 323,
 igr2= 716, 717,
 &end
#
#   92 VAL  MGX          92 VAL  HB          2.50    (#   2982:25  Unique         2.41, 2.67 A)
 &rst
  ixpk= 2982, nxpk= 25, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#  114 PRO  HD-         114 PRO  HA          5.50    (#   2983:25  Unique         3.34, 3.76 A)
 &rst
  ixpk= 2983, nxpk= 25, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1717,1718,
 &end
#
#    0 AMB  25-2:2984   114 PRO  HA          3.50    (#   2984:25  Single Ambig)
 &rst
  ixpk= 2984, nxpk= 25, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1723,1724,1720,1721,
 &end
#
#    0 AMB  25-2:2988    20 SER  HB-         5.50    (#   2988:25  Single Ambig)
 &rst
  ixpk= 2988, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 266, 267, 268, 270, 271, 272, 354, 355, 356, 358,
       359, 360,
 igr2= 301, 302,
 &end
#
#  109 ALA  HA           47 SER  HB+         5.50    (#   2989:25  Unique         2.64, 3.95 A)
 &rst
  ixpk= 2989, nxpk= 25, iat=1648,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 716, 717,
 &end
#
#  109 ALA  MB           47 SER  HB+         5.50    (#   2990:25  Unique         3.55, 5.53 A)
 &rst
  ixpk= 2990, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1650,1651,1652,
 igr2= 716, 717,
 &end
#
#   46 ALA  MB           47 SER  HB+         5.50    (#   2991:25  Unique         4.83, 6.34 A)
 &rst
  ixpk= 2991, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 706, 707, 708,
 igr2= 716, 717,
 &end
#
#  109 ALA  HA           47 SER  HB-         5.50    (#   2992:25  Unique         2.64, 3.95 A)
 &rst
  ixpk= 2992, nxpk= 25, iat=1648,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 716, 717,
 &end
#
#   22 PRO  HB-          47 SER  HB-         5.50    (#   2993:25  Unique         4.52, 5.93 A)
 &rst
  ixpk= 2993, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 325, 326,
 igr2= 716, 717,
 &end
#
#   34 CYS  HA           37 VAL  HB          4.50    (#   2995:25  Unique         2.60, 2.92 A)
 &rst
  ixpk= 2995, nxpk= 25, iat= 508, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:2996     0 AMB  25-1:2996   3.50    (#   2996:25  Double Ambig)
 &rst
  ixpk= 2996, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 557, 510, 511,
 igr2= 559,1355,
 &end
#
#   91 VAL  HA           91 VAL  HB          5.50    (#   2997:25  Unique         2.44, 2.47 A)
 &rst
  ixpk= 2997, nxpk= 25, iat=1353,1355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:2998    37 VAL  HB          3.50    (#   2998:25  Single Ambig)
 &rst
  ixpk= 2998, nxpk= 25, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1149,1150,1152,1153,
 &end
#
#    0 AMB  25-2:2999     0 AMB  25-1:2999   5.50    (#   2999:25  Double Ambig)
 &rst
  ixpk= 2999, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 578, 579,1511,1512,
 igr2= 559,1355,
 &end
#
#   37 VAL  MGY          37 VAL  HB          2.50    (#   3000:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 3000, nxpk= 25, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  25-2:3001     0 AMB  25-1:3001   2.50    (#   3001:25  Double Ambig)
 &rst
  ixpk= 3001, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
      1362,1363,1357,1358,1359,1361,1362,1363, 561, 562,
       563, 565, 566, 567,
 igr2=1355, 559,
 &end
#
#    0 AMB  25-2:3002     0 AMB  25-1:3002   4.50    (#   3002:25  Double Ambig)
 &rst
  ixpk= 3002, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 619, 620, 621, 623, 624, 625, 370, 371, 372, 374,
       375, 376,
 igr2=1355, 559,
 &end
#
#   72 ARG  HD-          72 ARG  HB+         5.50    (#   3003:25  Unique         2.20, 3.04 A)
 &rst
  ixpk= 3003, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1094,1095,
 igr2=1088,1089,
 &end
#
#  114 PRO  HB-         114 PRO  HA          3.50    (#   3005:25  Unique         2.26, 2.60 A)
 &rst
  ixpk= 3005, nxpk= 25, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1723,1724,
 &end
#
#    0 AMB  25-2:3006   114 PRO  HA          5.50    (#   3006:25  Single Ambig)
 &rst
  ixpk= 3006, nxpk= 25, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1674,1675,1676,1734,1735,1736,
 &end
#
#   40 LEU  HG           95 HIS  HB-         4.50    (#   3007:25  Unique         3.27, 3.86 A)
 &rst
  ixpk= 3007, nxpk= 25, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1424,1425,
 &end
#
#   46 ALA  MB           44 VAL  HB          5.50    (#   3008:25  Unique         4.16, 5.58 A)
 &rst
  ixpk= 3008, nxpk= 25, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 706, 707, 708,
 &end
#
#  101 LEU  MDX          44 VAL  HB          4.50    (#   3009:25  Unique         2.25, 4.44 A)
 &rst
  ixpk= 3009, nxpk= 25, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:3010    44 VAL  HB          2.50    (#   3010:25  Single Ambig)
 &rst
  ixpk= 3010, nxpk= 25, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 685, 686, 687, 689, 690, 691, 685, 686, 687, 689,
       690, 691,
 &end
#
#   44 VAL  HA           44 VAL  HB          2.50    (#   3011:25  Unique         2.42, 2.47 A)
 &rst
  ixpk= 3011, nxpk= 25, iat= 681, 683, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  102 PRO  HD-         102 PRO  HB-         5.50    (#   3012:25  Unique         2.82, 3.70 A)
 &rst
  ixpk= 3012, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1546,1547,
 igr2=1552,1553,
 &end
#
#  102 PRO  HD+         102 PRO  HB-         5.50    (#   3013:25  Unique         2.82, 3.70 A)
 &rst
  ixpk= 3013, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1546,1547,
 igr2=1552,1553,
 &end
#
#  102 PRO  HA          102 PRO  HB-         3.50    (#   3014:25  Unique         2.26, 2.68 A)
 &rst
  ixpk= 3014, nxpk= 25, iat=1555,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1552,1553,
 &end
#
#  102 PRO  HG+         102 PRO  HB-         3.50    (#   3015:25  Unique         2.35, 2.62 A)
 &rst
  ixpk= 3015, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1549,1550,
 igr2=1552,1553,
 &end
#
#   50 VAL  MGX          38 LYS  HD-         5.50    (#   3016:25  Unique         2.24, 4.54 A)
 &rst
  ixpk= 3016, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 772, 773, 774, 776, 777, 778,
 igr2= 581, 582,
 &end
#
#   50 VAL  MGY          38 LYS  HD-         5.50    (#   3019:25  Unique         2.24, 4.54 A)
 &rst
  ixpk= 3019, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 772, 773, 774, 776, 777, 778,
 igr2= 581, 582,
 &end
#
#    0 AMB  25-2:3020    38 LYS  HD-         4.50    (#   3020:25  Single Ambig)
 &rst
  ixpk= 3020, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 584, 585, 584, 585,
 igr2= 581, 582,
 &end
#
#   38 LYS  HG+          38 LYS  HD-         5.50    (#   3021:25  Unique         2.35, 2.61 A)
 &rst
  ixpk= 3021, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 578, 579,
 igr2= 581, 582,
 &end
#
#   35 ASN  HA           38 LYS  HD+         4.50    (#   3022:25  Unique         2.34, 3.36 A)
 &rst
  ixpk= 3022, nxpk= 25, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 581, 582,
 &end
#
#    0 AMB  25-2:3023     0 AMB  25-1:3023   4.50    (#   3023:25  Double Ambig)
 &rst
  ixpk= 3023, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1094,1095, 584, 585,
 igr2=1088,1089, 581, 582,
 &end
#
#   38 LYS  HB+          38 LYS  HD+         5.50    (#   3024:25  Unique         2.32, 3.30 A)
 &rst
  ixpk= 3024, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 575, 576,
 igr2= 581, 582,
 &end
#
#   38 LYS  HG+          38 LYS  HD+         5.50    (#   3026:25  Unique         2.35, 2.61 A)
 &rst
  ixpk= 3026, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 578, 579,
 igr2= 581, 582,
 &end
#
#    0 AMB  25-2:3028     0 AMB  25-1:3028   4.50    (#   3028:25  Double Ambig)
 &rst
  ixpk= 3028, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 156, 157, 158, 160, 161, 162,1516,1517,1518,1520,
      1521,1522,
 igr2=1043,1044,1424,1425,
 &end
#
#  100 LEU  MDY          95 HIS  HB+         4.50    (#   3030:25  Unique         2.24, 4.97 A)
 &rst
  ixpk= 3030, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1516,1517,1518,1520,1521,1522,
 igr2=1424,1425,
 &end
#
#  102 PRO  HD-         102 PRO  HB+         5.50    (#   3031:25  Unique         2.82, 3.70 A)
 &rst
  ixpk= 3031, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1546,1547,
 igr2=1552,1553,
 &end
#
#  102 PRO  HD+         102 PRO  HB+         5.50    (#   3032:25  Unique         2.82, 3.70 A)
 &rst
  ixpk= 3032, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1546,1547,
 igr2=1552,1553,
 &end
#
#  102 PRO  HG-         102 PRO  HB+         3.50    (#   3033:25  Unique         2.35, 2.62 A)
 &rst
  ixpk= 3033, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1549,1550,
 igr2=1552,1553,
 &end
#
#  102 PRO  HG+         102 PRO  HB+         3.50    (#   3034:25  Unique         2.35, 2.62 A)
 &rst
  ixpk= 3034, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1549,1550,
 igr2=1552,1553,
 &end
#
#  102 PRO  HG-         102 PRO  HB-         3.50    (#   3037:25  Unique         2.35, 2.62 A)
 &rst
  ixpk= 3037, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1549,1550,
 igr2=1552,1553,
 &end
#
#   55 GLU  HA           55 GLU  HB+         3.50    (#   3038:25  Unique         2.40, 2.73 A)
 &rst
  ixpk= 3038, nxpk= 25, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 848, 849,
 &end
#
#   55 GLU  HA           55 GLU  HB-         4.50    (#   3039:25  Unique         2.40, 2.73 A)
 &rst
  ixpk= 3039, nxpk= 25, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 848, 849,
 &end
#
#   31 CYS  HA           31 CYS  HB-         5.50    (#   3041:25  Unique         2.27, 2.71 A)
 &rst
  ixpk= 3041, nxpk= 25, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 473, 472,
 &end
#
#   97 ARG  HA           97 ARG  HB+         4.50    (#   3042:25  Unique         2.32, 2.75 A)
 &rst
  ixpk= 3042, nxpk= 25, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1458,1459,
 &end
#
#   97 ARG  HA           97 ARG  HB-         5.50    (#   3043:25  Unique         2.32, 2.75 A)
 &rst
  ixpk= 3043, nxpk= 25, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1458,1459,
 &end
#
#   97 ARG  QD           97 ARG  HB+         4.50    (#   3044:25  Unique         2.36, 3.19 A)
 &rst
  ixpk= 3044, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1464,1465,
 igr2=1458,1459,
 &end
#
#   97 ARG  QD           97 ARG  HB-         4.50    (#   3045:25  Unique         2.36, 3.19 A)
 &rst
  ixpk= 3045, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1464,1465,
 igr2=1458,1459,
 &end
#
#    0 AMB  25-2:3046     0 AMB  25-1:3046   5.50    (#   3046:25  Double Ambig)
 &rst
  ixpk= 3046, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1012, 983,1063,
 igr2=1026,1027,1026,1027,1026,1027,
 &end
#
#    7 LEU  MDX          68 HIS  HB+         5.50    (#   3047:25  Unique         2.50, 4.16 A)
 &rst
  ixpk= 3047, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 105, 106, 107, 109, 110, 111,
 igr2=1026,1027,
 &end
#
#   11 LEU  MDX          68 HIS  HB+         5.50    (#   3048:25  Unique         4.50, 7.62 A)
 &rst
  ixpk= 3048, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 156, 157, 158, 160, 161, 162,
 igr2=1026,1027,
 &end
#
#   49 LYS  HA           49 LYS  QD          4.50    (#   3049:25  Unique         3.82, 4.50 A)
 &rst
  ixpk= 3049, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 754, 755,
 &end
#
#   83 LYS  HA           83 LYS  QD          4.50    (#   3055:25  Unique         2.40, 4.63 A)
 &rst
  ixpk= 3055, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1252,1253,
 &end
#
#    0 AMB  25-2:3059     0 AMB  25-1:3059   5.50    (#   3059:25  Double Ambig)
 &rst
  ixpk= 3059, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 310, 834,
 igr2= 322, 323, 959, 960,
 &end
#
#    0 AMB  25-2:3060     0 AMB  25-1:3060   5.50    (#   3060:25  Double Ambig)
 &rst
  ixpk= 3060, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 310,1480,
 igr2= 322, 323,1549,1550,
 &end
#
#    0 AMB  25-2:3062    80 ILE  HG1-        5.50    (#   3062:25  Single Ambig)
 &rst
  ixpk= 3062, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1211, 334,
 igr2=1219,1220,
 &end
#
#   72 ARG  HA           72 ARG  HG+         5.50    (#   3066:25  Unique         2.41, 3.01 A)
 &rst
  ixpk= 3066, nxpk= 25, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1091,1092,
 &end
#
#   72 ARG  HA           72 ARG  HG-         5.50    (#   3068:25  Unique         2.41, 3.01 A)
 &rst
  ixpk= 3068, nxpk= 25, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1091,1092,
 &end
#
#    3 SER  HA            4 LYS  HA          5.50    (#   3069:25  Unique         4.23, 4.59 A)
 &rst
  ixpk= 3069, nxpk= 25, iat=  33,  44, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PHE  HA           85 ILE  HG1-        5.50    (#   3072:25  Unique         2.33, 3.29 A)
 &rst
  ixpk= 3072, nxpk= 25, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1291,1292,
 &end
#
#   83 LYS  HA           84 GLN  HB+         5.50    (#   3073:25  Unique         4.22, 4.66 A)
 &rst
  ixpk= 3073, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1268,1269,
 &end
#
#   76 PRO  HA           75 VAL  HA          3.50    (#   3075:25  Unique         2.22, 2.37 A)
 &rst
  ixpk= 3075, nxpk= 25, iat=1155,1131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:3079     0 AMB  25-1:3079   3.50    (#   3079:25  Double Ambig)
 &rst
  ixpk= 3079, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1422, 903, 904,
 igr2=1516,1517,1518,1520,1521,1522, 943,
 &end
#
#   76 PRO  HA           53 LEU  MDY         5.50    (#   3080:25  Unique         5.57, 7.98 A)
 &rst
  ixpk= 3080, nxpk= 25, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   26 PHE  HA           53 LEU  MDY         5.50    (#   3081:25  Unique         3.10, 4.96 A)
 &rst
  ixpk= 3081, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:3083    56 LEU  MDY         4.50    (#   3083:25  Single Ambig)
 &rst
  ixpk= 3083, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 861, 903, 904,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#   49 LYS  HA           49 LYS  HG+         5.50    (#   3087:25  Unique         2.46, 2.96 A)
 &rst
  ixpk= 3087, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 751, 752,
 &end
#
#   49 LYS  HA           49 LYS  HG-         4.50    (#   3090:25  Unique         2.46, 2.96 A)
 &rst
  ixpk= 3090, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 751, 752,
 &end
#
#   79 PHE  HA           84 GLN  HA          4.50    (#   3095:25  Unique         2.23, 2.44 A)
 &rst
  ixpk= 3095, nxpk= 25, iat=1191,1266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 PRO  HA           37 VAL  MGY         5.50    (#   3098:25  Unique         5.29, 6.73 A)
 &rst
  ixpk= 3098, nxpk= 25, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   33 TYR  HA           37 VAL  MGY         5.50    (#   3099:25  Unique         4.29, 6.76 A)
 &rst
  ixpk= 3099, nxpk= 25, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   83 LYS  HA           83 LYS  QG          3.50    (#   3100:25  Unique         2.49, 3.09 A)
 &rst
  ixpk= 3100, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1249,1250,
 &end
#
#   59 GLY  HA-          62 LEU  MDY         5.50    (#   3102:25  Unique         3.74, 6.53 A)
 &rst
  ixpk= 3102, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 903, 904,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:3103   104 LEU  MDX         5.50    (#   3103:25  Single Ambig)
 &rst
  ixpk= 3103, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1211, 334,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   77 ASN  HD2-         66 LEU  MDY         5.50    (#   3104:25  Unique         2.18, 5.24 A)
 &rst
  ixpk= 3104, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1168,1169,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   26 PHE  HA           53 LEU  MDX         5.50    (#   3106:25  Unique         3.10, 4.96 A)
 &rst
  ixpk= 3106, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   46 ALA  HA          104 LEU  MDX         5.50    (#   3109:25  Unique         3.51, 5.14 A)
 &rst
  ixpk= 3109, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   48 TYR  HA          104 LEU  MDX         5.50    (#   3110:25  Unique         6.18, 7.93 A)
 &rst
  ixpk= 3110, nxpk= 25, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#  113 ASN  HA          112 LYS  HA          5.50    (#   3112:25  Unique         4.30, 4.62 A)
 &rst
  ixpk= 3112, nxpk= 25, iat=1704,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 GLU  HA           53 LEU  MDX         5.50    (#   3113:25  Unique         3.77, 5.94 A)
 &rst
  ixpk= 3113, nxpk= 25, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   59 GLY  HA-          62 LEU  MDY         5.50    (#   3118:25  Unique         3.74, 6.53 A)
 &rst
  ixpk= 3118, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 903, 904,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   26 PHE  HA           50 VAL  MGX         5.50    (#   3125:25  Unique         4.39, 6.56 A)
 &rst
  ixpk= 3125, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   49 LYS  HA           50 VAL  MGX         4.50    (#   3126:25  Unique         3.03, 5.44 A)
 &rst
  ixpk= 3126, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   52 GLU  HA           50 VAL  MGX         5.50    (#   3127:25  Unique         3.44, 6.20 A)
 &rst
  ixpk= 3127, nxpk= 25, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   50 VAL  HA           50 VAL  MGX         3.50    (#   3128:25  Unique         2.48, 3.31 A)
 &rst
  ixpk= 3128, nxpk= 25, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   77 ASN  HD2-         66 LEU  MDX         5.50    (#   3131:25  Unique         2.18, 5.24 A)
 &rst
  ixpk= 3131, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1168,1169,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   25 VAL  HA           78 VAL  MGX         4.50    (#   3135:25  Unique         2.86, 4.36 A)
 &rst
  ixpk= 3135, nxpk= 25, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   26 PHE  HA           75 VAL  MGY         5.50    (#   3137:25  Unique         4.81, 7.13 A)
 &rst
  ixpk= 3137, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   48 TYR  HA           23 VAL  MGX         4.50    (#   3141:25  Unique         3.55, 4.48 A)
 &rst
  ixpk= 3141, nxpk= 25, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:3142    23 VAL  MGX         3.50    (#   3142:25  Single Ambig)
 &rst
  ixpk= 3142, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 334,1211,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   27 SER  HA           50 VAL  MGY         5.50    (#   3143:25  Unique         5.16, 7.52 A)
 &rst
  ixpk= 3143, nxpk= 25, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   26 PHE  HA           17 LEU  MDX         5.50    (#   3144:25  Unique         5.77, 7.53 A)
 &rst
  ixpk= 3144, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   26 PHE  HA           75 VAL  MGY         5.50    (#   3146:25  Unique         4.81, 7.13 A)
 &rst
  ixpk= 3146, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   74 THR  HA           75 VAL  MGY         5.50    (#   3148:25  Unique         3.33, 4.72 A)
 &rst
  ixpk= 3148, nxpk= 25, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:3149     0 AMB  25-1:3149   4.50    (#   3149:25  Double Ambig)
 &rst
  ixpk= 3149, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 746, 366,
 igr2= 772, 773, 774, 776, 777, 778, 354, 355, 356, 358,
       359, 360,
 &end
#
#    0 AMB  25-2:3150     0 AMB  25-1:3150   4.50    (#   3150:25  Double Ambig)
 &rst
  ixpk= 3150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 800,1211,
 igr2= 772, 773, 774, 776, 777, 778, 354, 355, 356, 358,
       359, 360,
 &end
#
#    0 AMB  25-2:3151     0 AMB  25-1:3151   4.50    (#   3151:25  Double Ambig)
 &rst
  ixpk= 3151, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1= 334, 382, 891,
 igr2= 354, 355, 356, 358, 359, 360, 772, 773, 774, 776,
       777, 778, 868, 869, 870, 872, 873, 874,
 &end
#
#   76 PRO  HA           75 VAL  MGY         3.50    (#   3153:25  Unique         2.94, 4.37 A)
 &rst
  ixpk= 3153, nxpk= 25, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:3155     0 AMB  25-1:3155   5.50    (#   3155:25  Double Ambig)
 &rst
  ixpk= 3155, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1=1117, 366,1302,1303,
 igr2=1135,1136,1137,1139,1140,1141, 561, 562, 563, 565,
       566, 567,1357,1358,1359,1361,1362,1363,
 &end
#
#   46 ALA  HA           41 LEU  MDX         5.50    (#   3156:25  Unique         5.16, 7.15 A)
 &rst
  ixpk= 3156, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   52 GLU  HA           29 THR  MG2         5.50    (#   3158:25  Unique         4.34, 5.39 A)
 &rst
  ixpk= 3158, nxpk= 25, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 439, 440, 441,
 &end
#
#   30 TYR  HA           29 THR  MG2         5.50    (#   3160:25  Unique         6.19, 6.62 A)
 &rst
  ixpk= 3160, nxpk= 25, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 439, 440, 441,
 &end
#
#   74 THR  HA           74 THR  MG2         3.50    (#   3168:25  Unique         2.34, 2.96 A)
 &rst
  ixpk= 3168, nxpk= 25, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1121,1122,1123,
 &end
#
#   26 PHE  HA           51 VAL  MGY         4.50    (#   3170:25  Unique         3.20, 4.59 A)
 &rst
  ixpk= 3170, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:3171    23 VAL  MGY         5.50    (#   3171:25  Single Ambig)
 &rst
  ixpk= 3171, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 704, 366,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   50 VAL  HA           51 VAL  MGY         5.50    (#   3173:25  Unique         3.21, 5.47 A)
 &rst
  ixpk= 3173, nxpk= 25, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   48 TYR  HA           23 VAL  MGY         4.50    (#   3174:25  Unique         3.55, 4.48 A)
 &rst
  ixpk= 3174, nxpk= 25, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:3175    23 VAL  MGY         3.50    (#   3175:25  Single Ambig)
 &rst
  ixpk= 3175, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 334,1211,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   48 TYR  HA           25 VAL  MGY         5.50    (#   3177:25  Unique         4.81, 7.48 A)
 &rst
  ixpk= 3177, nxpk= 25, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   25 VAL  HA           25 VAL  MGY         3.50    (#   3178:25  Unique         2.44, 3.17 A)
 &rst
  ixpk= 3178, nxpk= 25, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   77 ASN  HD2-         70 THR  MG2         4.50    (#   3179:25  Unique         2.11, 4.12 A)
 &rst
  ixpk= 3179, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1168,1169,
 igr2=1069,1070,1071,
 &end
#
#    0 AMB  25-2:3181    25 VAL  MGY         5.50    (#   3181:25  Single Ambig)
 &rst
  ixpk= 3181, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 382, 334,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   27 SER  HA           25 VAL  MGX         4.50    (#   3185:25  Unique         4.12, 6.71 A)
 &rst
  ixpk= 3185, nxpk= 25, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   25 VAL  HA            0 AMB  25-1:3186   3.50    (#   3186:25  Single Ambig)
 &rst
  ixpk= 3186, nxpk= 25, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   79 PHE  HA           78 VAL  MGY         5.50    (#   3187:25  Unique         3.89, 5.90 A)
 &rst
  ixpk= 3187, nxpk= 25, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  25-2:3188     0 AMB  25-1:3188   4.50    (#   3188:25  Double Ambig)
 &rst
  ixpk= 3188, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 382, 334,
 igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   48 TYR  HA           21 ALA  MB          5.50    (#   3190:25  Unique         3.10, 4.01 A)
 &rst
  ixpk= 3190, nxpk= 25, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 312, 313, 314,
 &end
#
#   23 VAL  HA           21 ALA  MB          5.50    (#   3191:25  Unique         5.15, 5.85 A)
 &rst
  ixpk= 3191, nxpk= 25, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 312, 313, 314,
 &end
#
#   21 ALA  HA           21 ALA  MB          2.50    (#   3192:25  Unique         2.46, 2.69 A)
 &rst
  ixpk= 3192, nxpk= 25, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 312, 313, 314,
 &end
#
#   46 ALA  HA           46 ALA  MB          2.50    (#   3194:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 3194, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 706, 707, 708,
 &end
#
#   26 PHE  HA           24 VAL  MGX         5.50    (#   3197:25  Unique         4.30, 6.80 A)
 &rst
  ixpk= 3197, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:3199    24 VAL  MGX         5.50    (#   3199:25  Single Ambig)
 &rst
  ixpk= 3199, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 366, 746,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   46 ALA  HA           44 VAL  MGX         5.50    (#   3205:25  Unique         3.90, 6.24 A)
 &rst
  ixpk= 3205, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   26 PHE  HA           51 VAL  MGX         4.50    (#   3206:25  Unique         3.20, 4.59 A)
 &rst
  ixpk= 3206, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:3207    51 VAL  MGX         4.50    (#   3207:25  Single Ambig)
 &rst
  ixpk= 3207, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 768, 350,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   95 HIS  HA           44 VAL  MGX         5.50    (#   3208:25  Unique         4.64, 6.69 A)
 &rst
  ixpk= 3208, nxpk= 25, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  25-2:3209    51 VAL  MGX         5.50    (#   3209:25  Single Ambig)
 &rst
  ixpk= 3209, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 366, 746,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   80 ILE  HA          107 ALA  MB          4.50    (#   3210:25  Unique         4.43, 4.89 A)
 &rst
  ixpk= 3210, nxpk= 25, iat=1211,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1630,1631,1632,
 &end
#
#  113 ASN  HA          114 PRO  HD-         3.50    (#   3213:25  Unique         2.11, 2.54 A)
 &rst
  ixpk= 3213, nxpk= 25, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1717,1718,
 &end
#
#  113 ASN  HA          114 PRO  HD+         3.50    (#   3214:25  Unique         2.11, 2.54 A)
 &rst
  ixpk= 3214, nxpk= 25, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1717,1718,
 &end
#
#   21 ALA  HA           22 PRO  HD-         3.50    (#   3215:25  Unique         2.51, 2.56 A)
 &rst
  ixpk= 3215, nxpk= 25, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 319, 320,
 &end
#
#   21 ALA  HA           22 PRO  HD+         3.50    (#   3216:25  Unique         2.51, 2.56 A)
 &rst
  ixpk= 3216, nxpk= 25, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 319, 320,
 &end
#
#   76 PRO  HA           75 VAL  MGX         3.50    (#   3221:25  Unique         2.94, 4.37 A)
 &rst
  ixpk= 3221, nxpk= 25, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   74 THR  HA           75 VAL  MGX         4.50    (#   3224:25  Unique         3.33, 4.72 A)
 &rst
  ixpk= 3224, nxpk= 25, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:3226    18 ALA  MB          5.50    (#   3226:25  Single Ambig)
 &rst
  ixpk= 3226, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 288,1244,
 igr2= 280, 281, 282,
 &end
#
#   79 PHE  HA           80 ILE  MG2         5.50    (#   3227:25  Unique         6.49, 6.66 A)
 &rst
  ixpk= 3227, nxpk= 25, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1215,1216,1217,
 &end
#
#   80 ILE  HA           80 ILE  MG2         3.50    (#   3229:25  Unique         2.47, 3.17 A)
 &rst
  ixpk= 3229, nxpk= 25, iat=1211,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1215,1216,1217,
 &end
#
#   79 PHE  HA           85 ILE  MG2         5.50    (#   3230:25  Unique         5.68, 6.02 A)
 &rst
  ixpk= 3230, nxpk= 25, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1287,1288,1289,
 &end
#
#    0 AMB  25-2:3233     0 AMB  25-1:3233   5.50    (#   3233:25  Double Ambig)
 &rst
  ixpk= 3233, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1211, 334,
 igr2=1230,1231,1230,1231,
 &end
#
#    0 AMB  25-2:3234    80 ILE  MD1         4.50    (#   3234:25  Single Ambig)
 &rst
  ixpk= 3234, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1211, 334,
 igr2=1222,1223,1224,
 &end
#
#   79 PHE  HA           80 ILE  MD1         5.50    (#   3235:25  Unique         5.76, 6.26 A)
 &rst
  ixpk= 3235, nxpk= 25, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1222,1223,1224,
 &end
#
#   19 SER  HA           82 GLY  HA+         4.50    (#   3236:25  Unique         2.90, 3.60 A)
 &rst
  ixpk= 3236, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1237,1238,
 &end
#
#    0 AMB  25-2:3239    73 GLY  HA-         5.50    (#   3239:25  Single Ambig)
 &rst
  ixpk= 3239, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1117,1086,
 igr2=1110,1111,
 &end
#
#   19 SER  HA           82 GLY  HA-         5.50    (#   3241:25  Unique         2.90, 3.60 A)
 &rst
  ixpk= 3241, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1237,1238,
 &end
#
#    0 AMB  25-2:3248     0 AMB  25-1:3248   4.50    (#   3248:25  Double Ambig)
 &rst
  ixpk= 3248, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 903, 904, 861,
 igr2= 863, 864, 863, 864,
 &end
#
#    0 AMB  25-2:3249    56 LEU  HB-         4.50    (#   3249:25  Single Ambig)
 &rst
  ixpk= 3249, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 903, 904, 861,
 igr2= 863, 864,
 &end
#
#   79 PHE  HA           79 PHE  HB+         5.50    (#   3250:25  Unique         2.54, 2.81 A)
 &rst
  ixpk= 3250, nxpk= 25, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1193,1194,
 &end
#
#   79 PHE  HA           79 PHE  HB-         5.50    (#   3254:25  Unique         2.54, 2.81 A)
 &rst
  ixpk= 3254, nxpk= 25, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1193,1194,
 &end
#
#   95 HIS  HA          100 LEU  HB+         5.50    (#   3255:25  Unique         2.26, 2.69 A)
 &rst
  ixpk= 3255, nxpk= 25, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1511,1512,
 &end
#
#   83 LYS  HA           83 LYS  QE          5.50    (#   3257:25  Unique         4.42, 5.13 A)
 &rst
  ixpk= 3257, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1255,1256,
 &end
#
#    0 AMB  25-2:3259    72 ARG  HD-         4.50    (#   3259:25  Single Ambig)
 &rst
  ixpk= 3259, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1086,1302,1303,
 igr2=1094,1095,
 &end
#
#   80 ILE  HA           80 ILE  HB          5.50    (#   3266:25  Unique         3.05, 3.05 A)
 &rst
  ixpk= 3266, nxpk= 25, iat=1211,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PHE  HA           85 ILE  MD1         5.50    (#   3268:25  Unique         2.87, 4.71 A)
 &rst
  ixpk= 3268, nxpk= 25, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1294,1295,1296,
 &end
#
#    0 AMB  25-2:3269    85 ILE  MD1         5.50    (#   3269:25  Single Ambig)
 &rst
  ixpk= 3269, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1211, 334,
 igr2=1294,1295,1296,
 &end
#
#   48 TYR  HA           48 TYR  HB+         4.50    (#   3270:25  Unique         2.37, 2.44 A)
 &rst
  ixpk= 3270, nxpk= 25, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 727, 728,
 &end
#
#   48 TYR  HA           48 TYR  HB-         4.50    (#   3271:25  Unique         2.37, 2.44 A)
 &rst
  ixpk= 3271, nxpk= 25, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 727, 728,
 &end
#
#   77 ASN  HA           77 ASN  HB+         5.50    (#   3272:25  Unique         2.47, 2.80 A)
 &rst
  ixpk= 3272, nxpk= 25, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1163,1164,
 &end
#
#  106 ASP  HA          106 ASP  HB+         3.50    (#   3273:25  Unique         2.39, 2.73 A)
 &rst
  ixpk= 3273, nxpk= 25, iat=1616,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1618,1619,
 &end
#
#   77 ASN  HA           77 ASN  HB-         5.50    (#   3274:25  Unique         2.47, 2.80 A)
 &rst
  ixpk= 3274, nxpk= 25, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1163,1164,
 &end
#
#  106 ASP  HA          106 ASP  HB-         3.50    (#   3275:25  Unique         2.39, 2.73 A)
 &rst
  ixpk= 3275, nxpk= 25, iat=1616,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1618,1619,
 &end
#
#   77 ASN  HA           77 ASN  HB-         5.50    (#   3276:25  Unique         2.47, 2.80 A)
 &rst
  ixpk= 3276, nxpk= 25, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1163,1164,
 &end
#
#   74 THR  HA           74 THR  HB          3.50    (#   3279:25  Unique         2.56, 2.67 A)
 &rst
  ixpk= 3279, nxpk= 25, iat=1117,1119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 ASP  HA           54 ASP  HB+         3.50    (#   3280:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 3280, nxpk= 25, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 836, 837,
 &end
#
#  113 ASN  HA          113 ASN  HB-         3.50    (#   3281:25  Unique         2.30, 2.71 A)
 &rst
  ixpk= 3281, nxpk= 25, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1706,1707,
 &end
#
#  113 ASN  HA          113 ASN  HB+         4.50    (#   3282:25  Unique         2.30, 2.71 A)
 &rst
  ixpk= 3282, nxpk= 25, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1706,1707,
 &end
#
#   54 ASP  HA           54 ASP  HB-         3.50    (#   3284:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 3284, nxpk= 25, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 836, 837,
 &end
#
#   58 ASP  HA           58 ASP  HB-         3.50    (#   3285:25  Unique         2.30, 2.68 A)
 &rst
  ixpk= 3285, nxpk= 25, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 893, 894,
 &end
#
#   58 ASP  HA           58 ASP  HB+         3.50    (#   3286:25  Unique         2.30, 2.68 A)
 &rst
  ixpk= 3286, nxpk= 25, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 893, 894,
 &end
#
#   30 TYR  HA           30 TYR  HB-         3.50    (#   3288:25  Unique         2.40, 2.43 A)
 &rst
  ixpk= 3288, nxpk= 25, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 451, 452,
 &end
#
#   30 TYR  HA           30 TYR  HB+         4.50    (#   3289:25  Unique         2.40, 2.43 A)
 &rst
  ixpk= 3289, nxpk= 25, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 451, 452,
 &end
#
#   98 ASN  HA           98 ASN  HB+         3.50    (#   3293:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 3293, nxpk= 25, iat=1480,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1482,1483,
 &end
#
#   98 ASN  HA           98 ASN  HB-         3.50    (#   3294:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 3294, nxpk= 25, iat=1480,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1482,1483,
 &end
#
#   55 GLU  HA           55 GLU  HG+         3.50    (#   3295:25  Unique         2.42, 3.15 A)
 &rst
  ixpk= 3295, nxpk= 25, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 851, 852,
 &end
#
#   55 GLU  HA           55 GLU  HG-         3.50    (#   3296:25  Unique         2.42, 3.15 A)
 &rst
  ixpk= 3296, nxpk= 25, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 851, 852,
 &end
#
#   49 LYS  HA           49 LYS  HB+         4.50    (#   3299:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 3299, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 748, 749,
 &end
#
#   49 LYS  HA           49 LYS  HB-         4.50    (#   3301:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 3301, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 748, 749,
 &end
#
#   76 PRO  HA           76 PRO  HB+         5.50    (#   3302:25  Unique         2.29, 2.54 A)
 &rst
  ixpk= 3302, nxpk= 25, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1152,1153,
 &end
#
#   76 PRO  HA           76 PRO  HB-         5.50    (#   3303:25  Unique         2.29, 2.54 A)
 &rst
  ixpk= 3303, nxpk= 25, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1152,1153,
 &end
#
#   48 TYR  HA           23 VAL  HB          3.50    (#   3307:25  Unique         2.10, 2.22 A)
 &rst
  ixpk= 3307, nxpk= 25, iat= 725, 336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:3308    22 PRO  HA          5.50    (#   3308:25  Single Ambig)
 &rst
  ixpk= 3308, nxpk= 25, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 310, 288,
 &end
#
#   50 VAL  HA           25 VAL  HB          3.50    (#   3310:25  Unique         2.39, 2.61 A)
 &rst
  ixpk= 3310, nxpk= 25, iat= 768, 368, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 VAL  HA           25 VAL  HB          5.50    (#   3311:25  Unique         3.02, 3.04 A)
 &rst
  ixpk= 3311, nxpk= 25, iat= 366, 368, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 SER  HA           27 SER  HB+         5.50    (#   3312:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 3312, nxpk= 25, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 404, 405,
 &end
#
#   27 SER  HA           27 SER  HB-         5.50    (#   3314:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 3314, nxpk= 25, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 404, 405,
 &end
#
#   50 VAL  HA           50 VAL  HB          3.50    (#   3316:25  Unique         2.26, 2.82 A)
 &rst
  ixpk= 3316, nxpk= 25, iat= 768, 770, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:3317    50 VAL  HB          4.50    (#   3317:25  Single Ambig)
 &rst
  ixpk= 3317, nxpk= 25, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 746, 366,
 &end
#
#   83 LYS  HA           83 LYS  QB          3.50    (#   3318:25  Unique         2.37, 2.69 A)
 &rst
  ixpk= 3318, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1246,1247,
 &end
#
#    0 AMB  25-2:3319    22 PRO  HA          5.50    (#   3319:25  Single Ambig)
 &rst
  ixpk= 3319, nxpk= 25, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 310, 288,
 &end
#
#    0 AMB  25-2:3323    51 VAL  HB          5.50    (#   3323:25  Single Ambig)
 &rst
  ixpk= 3323, nxpk= 25, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 768, 350,
 &end
#
#    3 SER  HA            3 SER  HB-         3.50    (#   3325:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 3325, nxpk= 25, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  35,  36,
 &end
#
#    3 SER  HA            3 SER  HB+         3.50    (#   3327:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 3327, nxpk= 25, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  35,  36,
 &end
#
#   26 PHE  HA           51 VAL  HB          4.50    (#   3329:25  Unique         2.12, 2.36 A)
 &rst
  ixpk= 3329, nxpk= 25, iat= 382, 786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 SER  HA           19 SER  HB+         3.50    (#   3334:25  Unique         2.36, 2.68 A)
 &rst
  ixpk= 3334, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 290, 291,
 &end
#
#   19 SER  HA           19 SER  HB-         3.50    (#   3335:25  Unique         2.36, 2.68 A)
 &rst
  ixpk= 3335, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 290, 291,
 &end
#
#   76 PRO  HA           75 VAL  HB          3.50    (#   3336:25  Unique         2.26, 2.38 A)
 &rst
  ixpk= 3336, nxpk= 25, iat=1155,1133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 VAL  MGY          76 PRO  HA          3.50    (#   3337:25  Unique         2.94, 4.37 A)
 &rst
  ixpk= 3337, nxpk= 25, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:3338    76 PRO  HA          4.50    (#   3338:25  Single Ambig)
 &rst
  ixpk= 3338, nxpk= 25, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1152,1153,1149,1150,
 &end
#
#   75 VAL  HB           76 PRO  HA          4.50    (#   3339:25  Unique         2.26, 2.38 A)
 &rst
  ixpk= 3339, nxpk= 25, iat=1133,1155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 PRO  HB+          76 PRO  HA          4.50    (#   3340:25  Unique         2.29, 2.54 A)
 &rst
  ixpk= 3340, nxpk= 25, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1152,1153,
 &end
#
#   75 VAL  HA           76 PRO  HA          4.50    (#   3341:25  Unique         2.22, 2.37 A)
 &rst
  ixpk= 3341, nxpk= 25, iat=1131,1155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 ASN  HN           76 PRO  HA          4.50    (#   3343:25  Unique         2.30, 2.34 A)
 &rst
  ixpk= 3343, nxpk= 25, iat=1159,1155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:3344    25 VAL  HA          3.50    (#   3344:25  Single Ambig)
 &rst
  ixpk= 3344, nxpk= 25, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   78 VAL  MGX          25 VAL  HA          4.50    (#   3345:25  Unique         2.86, 4.36 A)
 &rst
  ixpk= 3345, nxpk= 25, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1179,1180,1181,1183,1184,1185,
 &end
#
#   25 VAL  MGY          25 VAL  HA          3.50    (#   3346:25  Unique         2.44, 3.17 A)
 &rst
  ixpk= 3346, nxpk= 25, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:3347    25 VAL  HA          3.50    (#   3347:25  Single Ambig)
 &rst
  ixpk= 3347, nxpk= 25, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 380, 364,
 &end
#
#   24 VAL  HN           23 VAL  HA          3.50    (#   3348:25  Unique         2.25, 2.27 A)
 &rst
  ixpk= 3348, nxpk= 25, iat= 348, 334, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 GLY  HN           80 ILE  HA          3.50    (#   3349:25  Unique         2.21, 2.24 A)
 &rst
  ixpk= 3349, nxpk= 25, iat=1228,1211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 VAL  MGX          23 VAL  HA          3.50    (#   3350:25  Unique         2.47, 3.20 A)
 &rst
  ixpk= 3350, nxpk= 25, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   23 VAL  MGY          23 VAL  HA          2.50    (#   3351:25  Unique         2.47, 3.20 A)
 &rst
  ixpk= 3351, nxpk= 25, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   80 ILE  HG1-         80 ILE  HA          3.50    (#   3352:25  Unique         2.47, 2.83 A)
 &rst
  ixpk= 3352, nxpk= 25, iat=  -1,1211, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1219,1220,
 &end
#
#   74 THR  MG2          74 THR  HA          3.50    (#   3353:25  Unique         2.34, 2.96 A)
 &rst
  ixpk= 3353, nxpk= 25, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1121,1122,1123,
 &end
#
#    0 AMB  25-2:3354    74 THR  HA          4.50    (#   3354:25  Single Ambig)
 &rst
  ixpk= 3354, nxpk= 25, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1135,1136,1137,1139,1140,1141,1135,1136,1137,1139,
      1140,1141,
 &end
#
#   74 THR  HB           74 THR  HA          3.50    (#   3355:25  Unique         2.56, 2.67 A)
 &rst
  ixpk= 3355, nxpk= 25, iat=1119,1117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 VAL  MGX          26 PHE  HA          5.50    (#   3356:25  Unique         3.20, 4.59 A)
 &rst
  ixpk= 3356, nxpk= 25, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#   25 VAL  MGX          26 PHE  HA          5.50    (#   3357:25  Unique         4.33, 6.25 A)
 &rst
  ixpk= 3357, nxpk= 25, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:3358    26 PHE  HA          3.50    (#   3358:25  Single Ambig)
 &rst
  ixpk= 3358, nxpk= 25, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 822, 823, 824, 826, 827, 828, 788, 789, 790, 792,
       793, 794, 354, 355, 356, 358, 359, 360,
 &end
#
#   51 VAL  HB           26 PHE  HA          4.50    (#   3359:25  Unique         2.12, 2.36 A)
 &rst
  ixpk= 3359, nxpk= 25, iat= 786, 382, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 PHE  HB-          26 PHE  HA          5.50    (#   3360:25  Unique         2.46, 2.76 A)
 &rst
  ixpk= 3360, nxpk= 25, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 384, 385,
 &end
#
#   77 ASN  HB+          26 PHE  HA          5.50    (#   3361:25  Unique         5.04, 5.75 A)
 &rst
  ixpk= 3361, nxpk= 25, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1163,1164,
 &end
#
#   26 PHE  HD           26 PHE  HA          4.50    (#   3363:25  Unique         2.74, 3.55 A)
 &rst
  ixpk= 3363, nxpk= 25, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 388, 396,
 &end
#
#   51 VAL  HN           26 PHE  HA          5.50    (#   3364:25  Unique         2.83, 2.97 A)
 &rst
  ixpk= 3364, nxpk= 25, iat= 782, 382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 SER  HN           26 PHE  HA          3.50    (#   3365:25  Unique         2.16, 2.22 A)
 &rst
  ixpk= 3365, nxpk= 25, iat= 400, 382, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 LYS  HN            3 SER  HA          3.50    (#   3366:25  Unique         2.23, 3.03 A)
 &rst
  ixpk= 3366, nxpk= 25, iat=  42,  33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 SER  HN           47 SER  HA          4.50    (#   3367:25  Unique         2.92, 2.95 A)
 &rst
  ixpk= 3367, nxpk= 25, iat= 712, 714, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 TYR  HN           47 SER  HA          2.50    (#   3368:25  Unique         2.26, 2.31 A)
 &rst
  ixpk= 3368, nxpk= 25, iat= 723, 714, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   19 SER  HN           19 SER  HA          4.50    (#   3369:25  Unique         2.94, 2.98 A)
 &rst
  ixpk= 3369, nxpk= 25, iat= 286, 288, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 SER  HB+           3 SER  HA          2.50    (#   3370:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 3370, nxpk= 25, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  35,  36,
 &end
#
#    3 SER  HB-           3 SER  HA          2.50    (#   3371:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 3371, nxpk= 25, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  35,  36,
 &end
#
#    0 AMB  25-2:3372    47 SER  HA          2.50    (#   3372:25  Single Ambig)
 &rst
  ixpk= 3372, nxpk= 25, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 716, 717, 716, 717,
 &end
#
#   19 SER  HB-          19 SER  HA          3.50    (#   3373:25  Unique         2.36, 2.68 A)
 &rst
  ixpk= 3373, nxpk= 25, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 290, 291,
 &end
#
#   19 SER  HB+          19 SER  HA          3.50    (#   3374:25  Unique         2.36, 2.68 A)
 &rst
  ixpk= 3374, nxpk= 25, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 290, 291,
 &end
#
#   82 GLY  HA-          19 SER  HA          4.50    (#   3375:25  Unique         2.90, 3.60 A)
 &rst
  ixpk= 3375, nxpk= 25, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1237,1238,
 &end
#
#   82 GLY  HA+          19 SER  HA          5.50    (#   3376:25  Unique         2.90, 3.60 A)
 &rst
  ixpk= 3376, nxpk= 25, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1237,1238,
 &end
#
#    0 AMB  25-2:3377    55 GLU  HA          2.50    (#   3377:25  Single Ambig)
 &rst
  ixpk= 3377, nxpk= 25, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 848, 849, 851, 852,
 &end
#
#   55 GLU  HG-          55 GLU  HA          3.50    (#   3378:25  Unique         2.42, 3.15 A)
 &rst
  ixpk= 3378, nxpk= 25, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 851, 852,
 &end
#
#  106 ASP  HB-         106 ASP  HA          2.50    (#   3379:25  Unique         2.39, 2.73 A)
 &rst
  ixpk= 3379, nxpk= 25, iat=  -1,1616, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1618,1619,
 &end
#
#    0 AMB  25-2:3380   106 ASP  HA          5.50    (#   3380:25  Single Ambig)
 &rst
  ixpk= 3380, nxpk= 25, iat=  -1,1616, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1640,1641,1642,1630,1631,1632,
 &end
#
#   79 PHE  HD           79 PHE  HA          5.50    (#   3381:25  Unique         3.42, 3.64 A)
 &rst
  ixpk= 3381, nxpk= 25, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1197,1205,
 &end
#
#   80 ILE  HN           79 PHE  HA          3.50    (#   3382:25  Unique         2.25, 2.26 A)
 &rst
  ixpk= 3382, nxpk= 25, iat=1209,1191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   85 ILE  HN           79 PHE  HA          4.50    (#   3383:25  Unique         2.60, 2.73 A)
 &rst
  ixpk= 3383, nxpk= 25, iat=1281,1191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   85 ILE  MD1          79 PHE  HA          4.50    (#   3384:25  Unique         2.87, 4.71 A)
 &rst
  ixpk= 3384, nxpk= 25, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1294,1295,1296,
 &end
#
#   85 ILE  HG1-         79 PHE  HA          4.50    (#   3385:25  Unique         2.33, 3.29 A)
 &rst
  ixpk= 3385, nxpk= 25, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1291,1292,
 &end
#
#   84 GLN  HA           79 PHE  HA          4.50    (#   3386:25  Unique         2.23, 2.44 A)
 &rst
  ixpk= 3386, nxpk= 25, iat=1266,1191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 PHE  HB-          79 PHE  HA          5.50    (#   3387:25  Unique         2.54, 2.81 A)
 &rst
  ixpk= 3387, nxpk= 25, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#    0 AMB  25-2:3388    27 SER  HA          3.50    (#   3388:25  Single Ambig)
 &rst
  ixpk= 3388, nxpk= 25, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1135,1136,1137,1139,1140,1141,1135,1136,1137,1139,
      1140,1141,
 &end
#
#   75 VAL  HB           27 SER  HA          4.50    (#   3389:25  Unique         2.04, 2.20 A)
 &rst
  ixpk= 3389, nxpk= 25, iat=1133, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 SER  HB+          27 SER  HA          4.50    (#   3390:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 3390, nxpk= 25, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 404, 405,
 &end
#
#   28 LYS  HN           27 SER  HA          4.50    (#   3391:25  Unique         2.58, 2.68 A)
 &rst
  ixpk= 3391, nxpk= 25, iat= 411, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 SER  HN           27 SER  HA          5.50    (#   3392:25  Unique         2.91, 2.95 A)
 &rst
  ixpk= 3392, nxpk= 25, iat= 400, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 VAL  MGY          48 TYR  HA          5.50    (#   3393:25  Unique         4.81, 7.48 A)
 &rst
  ixpk= 3393, nxpk= 25, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   23 VAL  MGX          48 TYR  HA          4.50    (#   3394:25  Unique         3.55, 4.48 A)
 &rst
  ixpk= 3394, nxpk= 25, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   23 VAL  MGY          48 TYR  HA          4.50    (#   3395:25  Unique         3.55, 4.48 A)
 &rst
  ixpk= 3395, nxpk= 25, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:3396    48 TYR  HA          4.50    (#   3396:25  Single Ambig)
 &rst
  ixpk= 3396, nxpk= 25, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 312, 313, 314, 706, 707, 708,
 &end
#
#   23 VAL  HB           48 TYR  HA          3.50    (#   3397:25  Unique         2.10, 2.22 A)
 &rst
  ixpk= 3397, nxpk= 25, iat= 336, 725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 TYR  HB-          48 TYR  HA          4.50    (#   3398:25  Unique         2.37, 2.44 A)
 &rst
  ixpk= 3398, nxpk= 25, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 728,
 &end
#
#   48 TYR  HB+          48 TYR  HA          3.50    (#   3399:25  Unique         2.37, 2.44 A)
 &rst
  ixpk= 3399, nxpk= 25, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 727, 728,
 &end
#
#   48 TYR  HD           48 TYR  HA          4.50    (#   3400:25  Unique         4.16, 4.27 A)
 &rst
  ixpk= 3400, nxpk= 25, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 731, 740,
 &end
#
#   23 VAL  HN           48 TYR  HA          5.50    (#   3401:25  Unique         2.89, 3.04 A)
 &rst
  ixpk= 3401, nxpk= 25, iat= 332, 725, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 TYR  HN           48 TYR  HA          5.50    (#   3402:25  Unique         2.90, 2.93 A)
 &rst
  ixpk= 3402, nxpk= 25, iat= 723, 725, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HN           48 TYR  HA          3.50    (#   3403:25  Unique         2.21, 2.33 A)
 &rst
  ixpk= 3403, nxpk= 25, iat= 744, 725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   98 ASN  HN           98 ASN  HA          2.50    (#   3404:25  Unique         2.19, 2.21 A)
 &rst
  ixpk= 3404, nxpk= 25, iat=1478,1480, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   99 GLU  HN           98 ASN  HA          4.50    (#   3405:25  Unique         2.56, 2.69 A)
 &rst
  ixpk= 3405, nxpk= 25, iat=1492,1480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 ASP  HN           54 ASP  HA          4.50    (#   3406:25  Unique         2.82, 2.85 A)
 &rst
  ixpk= 3406, nxpk= 25, iat= 832, 834, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 LEU  HN           98 ASN  HA          4.50    (#   3407:25  Unique         3.33, 3.59 A)
 &rst
  ixpk= 3407, nxpk= 25, iat=1507,1480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 TYR  HD           30 TYR  HA          4.50    (#   3408:25  Unique         4.13, 4.23 A)
 &rst
  ixpk= 3408, nxpk= 25, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 455, 464,
 &end
#
#   98 ASN  HB+          98 ASN  HA          2.50    (#   3409:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 3409, nxpk= 25, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1482,1483,
 &end
#
#   54 ASP  HB-          54 ASP  HA          2.50    (#   3410:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 3410, nxpk= 25, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 836, 837,
 &end
#
#   30 TYR  HB-          30 TYR  HA          4.50    (#   3411:25  Unique         2.40, 2.43 A)
 &rst
  ixpk= 3411, nxpk= 25, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 451, 452,
 &end
#
#    0 AMB  25-2:3412    98 ASN  HA          5.50    (#   3412:25  Single Ambig)
 &rst
  ixpk= 3412, nxpk= 25, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1458,1459,1461,1462,
 &end
#
#   49 LYS  HG+          49 LYS  HA          4.50    (#   3413:25  Unique         2.46, 2.96 A)
 &rst
  ixpk= 3413, nxpk= 25, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 751, 752,
 &end
#
#   49 LYS  HG-          49 LYS  HA          3.50    (#   3414:25  Unique         2.46, 2.96 A)
 &rst
  ixpk= 3414, nxpk= 25, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 751, 752,
 &end
#
#   49 LYS  HB-          49 LYS  HA          3.50    (#   3415:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 3415, nxpk= 25, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 748, 749,
 &end
#
#   53 LEU  HN           52 GLU  HA          3.50    (#   3416:25  Unique         2.11, 2.20 A)
 &rst
  ixpk= 3416, nxpk= 25, iat= 813, 800, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 GLU  HN           52 GLU  HA          4.50    (#   3417:25  Unique         2.86, 2.93 A)
 &rst
  ixpk= 3417, nxpk= 25, iat= 798, 800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:3418    52 GLU  HA          3.50    (#   3418:25  Single Ambig)
 &rst
  ixpk= 3418, nxpk= 25, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 805, 806, 802, 803,
 &end
#
#   52 GLU  HB-          52 GLU  HA          4.50    (#   3419:25  Unique         2.39, 2.76 A)
 &rst
  ixpk= 3419, nxpk= 25, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 802, 803,
 &end
#
#    0 AMB  25-2:3420    52 GLU  HA          4.50    (#   3420:25  Single Ambig)
 &rst
  ixpk= 3420, nxpk= 25, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 772, 773, 774, 776, 777, 778, 822, 823, 824, 826,
       827, 828, 788, 789, 790, 792, 793, 794,
 &end
#
#   46 ALA  MB           46 ALA  HA          2.50    (#   3421:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 3421, nxpk= 25, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 706, 707, 708,
 &end
#
#    0 AMB  25-2:3422    58 ASP  HA          2.50    (#   3422:25  Single Ambig)
 &rst
  ixpk= 3422, nxpk= 25, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 893, 894, 926, 927,
 &end
#
#   58 ASP  HB-          58 ASP  HA          3.50    (#   3423:25  Unique         2.30, 2.68 A)
 &rst
  ixpk= 3423, nxpk= 25, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 893, 894,
 &end
#
#    0 AMB  25-2:3425    46 ALA  HA          4.50    (#   3425:25  Single Ambig)
 &rst
  ixpk= 3425, nxpk= 25, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 716, 717, 716, 717, 631,
 &end
#
#   47 SER  HN           46 ALA  HA          2.50    (#   3426:25  Unique         2.17, 2.20 A)
 &rst
  ixpk= 3426, nxpk= 25, iat= 712, 704, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   21 ALA  MB           21 ALA  HA          2.50    (#   3427:25  Unique         2.46, 2.69 A)
 &rst
  ixpk= 3427, nxpk= 25, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 312, 313, 314,
 &end
#
#    0 AMB  25-2:3428    21 ALA  HA          2.50    (#   3428:25  Single Ambig)
 &rst
  ixpk= 3428, nxpk= 25, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 319, 320, 319, 320,
 &end
#
#   40 LEU  HG           40 LEU  MDY         4.50    (#   3429:25  Unique         2.41, 2.65 A)
 &rst
  ixpk= 3429, nxpk= 25, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   88 CYS  HA           37 VAL  MGY         2.50    (#   3431:25  Unique         2.14, 3.77 A)
 &rst
  ixpk= 3431, nxpk= 25, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   41 LEU  MDY          37 VAL  MGY         5.50    (#   3432:25  Unique         2.28, 5.78 A)
 &rst
  ixpk= 3432, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   79 PHE  HN           79 PHE  HA          5.50    (#   3433:25  Unique         2.97, 2.97 A)
 &rst
  ixpk= 3433, nxpk= 25, iat=1189,1191, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:3434     0 AMB  25-1:3434   4.50    (#   3434:25  Double Ambig)
 &rst
  ixpk= 3434, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 220, 242,
 igr2= 227, 228, 227, 228,
 &end
#
#   63 GLN  QG           66 LEU  MDY         5.50    (#   3435:25  Unique         4.86, 7.77 A)
 &rst
  ixpk= 3435, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 962, 963,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   26 PHE  HB-          66 LEU  MDY         4.50    (#   3436:25  Unique         3.31, 4.90 A)
 &rst
  ixpk= 3436, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 384, 385,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   81 GLY  HN           81 GLY  HA+         3.50    (#   3442:25  Unique         2.28, 2.55 A)
 &rst
  ixpk= 3442, nxpk= 25, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1230,1231,
 &end
#
#   81 GLY  HN           81 GLY  HA-         4.50    (#   3443:25  Unique         2.28, 2.55 A)
 &rst
  ixpk= 3443, nxpk= 25, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1230,1231,
 &end
#
#   81 GLY  HN           80 ILE  MG2         4.50    (#   3444:25  Unique         2.56, 3.24 A)
 &rst
  ixpk= 3444, nxpk= 25, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1215,1216,1217,
 &end
#
#   81 GLY  HN          107 ALA  MB          4.50    (#   3445:25  Unique         2.55, 3.50 A)
 &rst
  ixpk= 3445, nxpk= 25, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1630,1631,1632,
 &end
#
#   81 GLY  HN           23 VAL  MGX         5.50    (#   3446:25  Unique         3.79, 5.50 A)
 &rst
  ixpk= 3446, nxpk= 25, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   81 GLY  HN           80 ILE  MD1         5.50    (#   3447:25  Unique         5.63, 6.17 A)
 &rst
  ixpk= 3447, nxpk= 25, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1222,1223,1224,
 &end
#
#   81 GLY  HN           22 PRO  HA          5.50    (#   3449:25  Unique         3.15, 3.33 A)
 &rst
  ixpk= 3449, nxpk= 25, iat=1228, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 GLY  HN           82 GLY  HA+         5.50    (#   3450:25  Unique         5.02, 5.24 A)
 &rst
  ixpk= 3450, nxpk= 25, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1237,1238,
 &end
#
#   69 TRP  HE1          15 LYS  HE+         5.50    (#   3451:25  Unique         2.89, 3.43 A)
 &rst
  ixpk= 3451, nxpk= 25, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 233, 234,
 &end
#
#   69 TRP  HE1          15 LYS  HE-         5.50    (#   3452:25  Unique         2.89, 3.43 A)
 &rst
  ixpk= 3452, nxpk= 25, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 233, 234,
 &end
#
#   53 LEU  HN           75 VAL  MGX         5.50    (#   3454:25  Unique         4.28, 6.43 A)
 &rst
  ixpk= 3454, nxpk= 25, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   82 GLY  HN           80 ILE  MG2         5.50    (#   3455:25  Unique         5.07, 5.66 A)
 &rst
  ixpk= 3455, nxpk= 25, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1215,1216,1217,
 &end
#
#   54 ASP  HN           75 VAL  MGX         7.00    (#   3456:25  Unique         5.51, 7.27 A)
 &rst
  ixpk= 3456, nxpk= 25, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   27 SER  HN           75 VAL  MGX         5.50    (#   3457:25  Unique         3.86, 5.77 A)
 &rst
  ixpk= 3457, nxpk= 25, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   24 VAL  HN           80 ILE  MG2         5.50    (#   3459:25  Unique         5.58, 6.51 A)
 &rst
  ixpk= 3459, nxpk= 25, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1215,1216,1217,
 &end
#
#   79 PHE  HN           18 ALA  MB          7.00    (#   3461:25  Unique         5.92, 6.90 A)
 &rst
  ixpk= 3461, nxpk= 25, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 280, 281, 282,
 &end
#
#   82 GLY  HN           18 ALA  MB          5.50    (#   3462:25  Unique         4.37, 6.22 A)
 &rst
  ixpk= 3462, nxpk= 25, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 280, 281, 282,
 &end
#
#   29 THR  HN           75 VAL  MGX         5.50    (#   3463:25  Unique         5.95, 7.63 A)
 &rst
  ixpk= 3463, nxpk= 25, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   53 LEU  HN           28 LYS  HB-         7.00    (#   3464:25  Unique         5.11, 5.57 A)
 &rst
  ixpk= 3464, nxpk= 25, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 415, 416,
 &end
#
#   79 PHE  HN           25 VAL  HA          5.50    (#   3465:25  Unique         3.52, 3.69 A)
 &rst
  ixpk= 3465, nxpk= 25, iat=1189, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PHE  HN           25 VAL  MGY         5.50    (#   3466:25  Unique         4.03, 5.66 A)
 &rst
  ixpk= 3466, nxpk= 25, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   79 PHE  HN           24 VAL  MGX         5.50    (#   3467:25  Unique         4.85, 5.78 A)
 &rst
  ixpk= 3467, nxpk= 25, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#  101 LEU  HN          100 LEU  HB+         5.50    (#   3468:25  Unique         2.56, 3.28 A)
 &rst
  ixpk= 3468, nxpk= 25, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1511,1512,
 &end
#
#   79 PHE  HN           79 PHE  HB-         5.50    (#   3469:25  Unique         2.50, 3.11 A)
 &rst
  ixpk= 3469, nxpk= 25, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1193,1194,
 &end
#
#   34 CYS  HN           34 CYS  HB-         5.50    (#   3470:25  Unique         2.42, 2.93 A)
 &rst
  ixpk= 3470, nxpk= 25, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 510, 511,
 &end
#
#   34 CYS  HN           33 TYR  HB-         5.50    (#   3471:25  Unique         2.72, 3.33 A)
 &rst
  ixpk= 3471, nxpk= 25, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 489, 490,
 &end
#
#   34 CYS  HN           33 TYR  HB+         5.50    (#   3472:25  Unique         2.72, 3.33 A)
 &rst
  ixpk= 3472, nxpk= 25, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 489, 490,
 &end
#
#   33 TYR  HN           33 TYR  HB+         5.50    (#   3473:25  Unique         2.35, 3.01 A)
 &rst
  ixpk= 3473, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 489, 490,
 &end
#
#   33 TYR  HN           88 CYS  HB+         5.50    (#   3474:25  Unique         5.70, 6.07 A)
 &rst
  ixpk= 3474, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1318,1319,
 &end
#
#   73 GLY  HN           72 ARG  HA          4.50    (#   3478:25  Unique         2.27, 2.82 A)
 &rst
  ixpk= 3478, nxpk= 25, iat=1108,1086, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 ASP  HN           59 GLY  HA+         5.50    (#   3479:25  Unique         3.71, 4.12 A)
 &rst
  ixpk= 3479, nxpk= 25, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 903, 904,
 &end
#
#   24 VAL  HN           79 PHE  HB+         5.50    (#   3480:25  Unique         3.00, 3.62 A)
 &rst
  ixpk= 3480, nxpk= 25, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1193,1194,
 &end
#
#    0 AMB  25-2:3481     0 AMB  25-1:3481   5.50    (#   3481:25  Double Ambig)
 &rst
  ixpk= 3481, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 380,1173,
 igr2=1163,1164,1163,1164,
 &end
#
#    0 AMB  25-2:3482    77 ASN  HB-         5.50    (#   3482:25  Single Ambig)
 &rst
  ixpk= 3482, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 380,1173,
 igr2=1163,1164,
 &end
#
#    0 AMB  25-2:3484     0 AMB  25-1:3484   5.50    (#   3484:25  Double Ambig)
 &rst
  ixpk= 3484, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 936, 955,
 igr2= 903, 904, 903, 904,
 &end
#
#   80 ILE  HN           79 PHE  HB+         5.50    (#   3485:25  Unique         2.86, 3.51 A)
 &rst
  ixpk= 3485, nxpk= 25, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1193,1194,
 &end
#
#   95 HIS  HN           95 HIS  HB-         3.50    (#   3486:25  Unique         2.41, 2.55 A)
 &rst
  ixpk= 3486, nxpk= 25, iat=1420,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1424,1425,
 &end
#
#   95 HIS  HN           95 HIS  HB+         4.50    (#   3487:25  Unique         2.41, 2.55 A)
 &rst
  ixpk= 3487, nxpk= 25, iat=1420,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1424,1425,
 &end
#
#   79 PHE  HZ           70 THR  MG2         3.50    (#   3488:25  Unique         2.34, 2.85 A)
 &rst
  ixpk= 3488, nxpk= 25, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1069,1070,1071,
 &end
#
#   79 PHE  HZ           66 LEU  MDX         4.50    (#   3489:25  Unique         2.71, 4.55 A)
 &rst
  ixpk= 3489, nxpk= 25, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   79 PHE  HZ           18 ALA  MB          5.50    (#   3490:25  Unique         4.20, 4.98 A)
 &rst
  ixpk= 3490, nxpk= 25, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 280, 281, 282,
 &end
#
#   84 GLN  HN           83 LYS  HA          2.50    (#   3494:25  Unique         2.21, 2.26 A)
 &rst
  ixpk= 3494, nxpk= 25, iat=1264,1244, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   83 LYS  QB           83 LYS  HA          3.50    (#   3495:25  Unique         2.37, 2.69 A)
 &rst
  ixpk= 3495, nxpk= 25, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1246,1247,
 &end
#
#   83 LYS  QD           83 LYS  HA          4.50    (#   3496:25  Unique         2.40, 4.63 A)
 &rst
  ixpk= 3496, nxpk= 25, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1252,1253,
 &end
#
#   83 LYS  QG           83 LYS  HA          3.50    (#   3497:25  Unique         2.49, 3.09 A)
 &rst
  ixpk= 3497, nxpk= 25, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1249,1250,
 &end
#
#   83 LYS  HN           83 LYS  HA          4.50    (#   3498:25  Unique         2.97, 2.98 A)
 &rst
  ixpk= 3498, nxpk= 25, iat=1242,1244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 LYS  HB+           3 SER  HA          5.50    (#   3499:25  Unique         4.53, 5.57 A)
 &rst
  ixpk= 3499, nxpk= 25, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  46,  47,
 &end
#
#    4 LYS  HG+           3 SER  HA          7.00    (#   3500:25  Unique         3.90, 6.33 A)
 &rst
  ixpk= 3500, nxpk= 25, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  49,  50,
 &end
#
#   28 LYS  HD-          28 LYS  HB-         5.50    (#   3501:25  Unique         2.29, 2.90 A)
 &rst
  ixpk= 3501, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 421, 422,
 igr2= 415, 416,
 &end
#
#    0 AMB  25-2:3502    18 ALA  HA          4.50    (#   3502:25  Single Ambig)
 &rst
  ixpk= 3502, nxpk= 25, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 286,1197,1205,
 &end
#
#    0 AMB  25-2:3503    18 ALA  HA          5.50    (#   3503:25  Single Ambig)
 &rst
  ixpk= 3503, nxpk= 25, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 259, 290, 291, 212,
 &end
#
#    0 AMB  25-2:3504    18 ALA  MB          2.50    (#   3504:25  Single Ambig)
 &rst
  ixpk= 3504, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=1197,1205, 286,
 igr2= 280, 281, 282,
 &end
#
#   19 SER  HB+          18 ALA  MB          5.50    (#   3505:25  Unique         4.10, 6.05 A)
 &rst
  ixpk= 3505, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 290, 291,
 igr2= 280, 281, 282,
 &end
#
#    0 AMB  25-2:3506    20 SER  HA          5.50    (#   3506:25  Single Ambig)
 &rst
  ixpk= 3506, nxpk= 25, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 312, 313, 314, 751, 752,
 &end
#
#   17 LEU  MDX          20 SER  HB+         5.50    (#   3507:25  Unique         3.73, 6.60 A)
 &rst
  ixpk= 3507, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 266, 267, 268, 270, 271, 272,
 igr2= 301, 302,
 &end
#
#    0 AMB  25-2:3508    21 ALA  HA          4.50    (#   3508:25  Single Ambig)
 &rst
  ixpk= 3508, nxpk= 25, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 308, 332,
 &end
#
#   80 ILE  HA           22 PRO  HA          5.50    (#   3509:25  Unique         4.68, 4.78 A)
 &rst
  ixpk= 3509, nxpk= 25, iat=1211, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 VAL  HA           23 VAL  HB          5.50    (#   3510:25  Unique         3.04, 3.04 A)
 &rst
  ixpk= 3510, nxpk= 25, iat= 334, 336, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 VAL  MGX          28 LYS  QG          3.50    (#   3511:25  Unique         2.29, 4.26 A)
 &rst
  ixpk= 3511, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1135,1136,1137,1139,1140,1141,
 igr2= 418, 419,
 &end
#
#   29 THR  HN           29 THR  HB          5.50    (#   3512:25  Unique         3.40, 3.43 A)
 &rst
  ixpk= 3512, nxpk= 25, iat= 433, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 TYR  HN           29 THR  HB          5.50    (#   3513:25  Unique         3.37, 3.90 A)
 &rst
  ixpk= 3513, nxpk= 25, iat= 447, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:3514    29 THR  HB          5.50    (#   3514:25  Single Ambig)
 &rst
  ixpk= 3514, nxpk= 25, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 802, 803, 848, 849,
 &end
#
#   56 LEU  HN           29 THR  MG2         7.00    (#   3515:25  Unique         5.01, 6.23 A)
 &rst
  ixpk= 3515, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 439, 440, 441,
 &end
#
#   55 GLU  HN           29 THR  MG2         5.50    (#   3516:25  Unique         2.88, 4.12 A)
 &rst
  ixpk= 3516, nxpk= 25, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 439, 440, 441,
 &end
#
#   30 TYR  HN           29 THR  MG2         5.50    (#   3517:25  Unique         4.60, 5.28 A)
 &rst
  ixpk= 3517, nxpk= 25, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 439, 440, 441,
 &end
#
#   76 PRO  QG           33 TYR  HB+         5.50    (#   3518:25  Unique         2.72, 3.92 A)
 &rst
  ixpk= 3518, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1149,1150,
 igr2= 489, 490,
 &end
#
#   76 PRO  QG           33 TYR  HB-         5.50    (#   3519:25  Unique         2.72, 3.92 A)
 &rst
  ixpk= 3519, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1149,1150,
 igr2= 489, 490,
 &end
#
#   76 PRO  HD-          33 TYR  HB+         5.50    (#   3520:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 3520, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1146,1147,
 igr2= 489, 490,
 &end
#
#   76 PRO  HD+          33 TYR  HB+         5.50    (#   3521:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 3521, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1146,1147,
 igr2= 489, 490,
 &end
#
#   76 PRO  HD+          33 TYR  HB-         5.50    (#   3522:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 3522, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1146,1147,
 igr2= 489, 490,
 &end
#
#    0 AMB  25-2:3523    33 TYR  HB-         5.50    (#   3523:25  Single Ambig)
 &rst
  ixpk= 3523, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 508, 480, 481,
 igr2= 489, 490,
 &end
#
#    0 AMB  25-2:3524    34 CYS  HA          5.50    (#   3524:25  Single Ambig)
 &rst
  ixpk= 3524, nxpk= 25, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 404, 405, 489, 490,
 &end
#
#   35 ASN  HN           34 CYS  HB+         5.50    (#   3525:25  Unique         2.43, 3.09 A)
 &rst
  ixpk= 3525, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 510, 511,
 &end
#
#   41 LEU  HN           40 LEU  HA          5.50    (#   3526:25  Unique         3.57, 3.58 A)
 &rst
  ixpk= 3526, nxpk= 25, iat= 629, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 GLN  HN           40 LEU  MDX         5.50    (#   3527:25  Unique         5.25, 7.06 A)
 &rst
  ixpk= 3527, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   41 LEU  HN           40 LEU  MDY         5.50    (#   3528:25  Unique         3.19, 5.37 A)
 &rst
  ixpk= 3528, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   92 VAL  MGY          40 LEU  MDY         5.50    (#   3529:25  Unique         2.30, 5.01 A)
 &rst
  ixpk= 3529, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1373,1374,1375,1377,1378,1379,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:3530    41 LEU  HA          5.50    (#   3530:25  Single Ambig)
 &rst
  ixpk= 3530, nxpk= 25, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 731, 740, 733, 738,
 &end
#
#   41 LEU  MDX          41 LEU  HB+         5.50    (#   3531:25  Unique         2.31, 3.33 A)
 &rst
  ixpk= 3531, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 633, 634,
 &end
#
#   43 GLN  HN           41 LEU  MDX         5.50    (#   3532:25  Unique         5.86, 7.53 A)
 &rst
  ixpk= 3532, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   23 VAL  HB           41 LEU  MDY         5.50    (#   3533:25  Unique         3.54, 5.20 A)
 &rst
  ixpk= 3533, nxpk= 25, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:3534    41 LEU  MDY         5.50    (#   3534:25  Single Ambig)
 &rst
  ixpk= 3534, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 704, 366,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   43 GLN  QB           44 VAL  MGX         4.50    (#   3535:25  Unique         3.00, 5.49 A)
 &rst
  ixpk= 3535, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 666, 667,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   46 ALA  HN           44 VAL  MGY         5.50    (#   3536:25  Unique         2.30, 4.66 A)
 &rst
  ixpk= 3536, nxpk= 25, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   41 LEU  HG           44 VAL  MGY         4.50    (#   3537:25  Unique         4.46, 6.45 A)
 &rst
  ixpk= 3537, nxpk= 25, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#  104 LEU  MDX          46 ALA  HA          4.50    (#   3538:25  Unique         3.51, 5.14 A)
 &rst
  ixpk= 3538, nxpk= 25, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1587,1588,1589,1591,1592,1593,
 &end
#
#  109 ALA  MB           46 ALA  HA          5.50    (#   3539:25  Unique         3.30, 4.27 A)
 &rst
  ixpk= 3539, nxpk= 25, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1650,1651,1652,
 &end
#
#   46 ALA  HN           46 ALA  HA          4.50    (#   3540:25  Unique         2.88, 2.91 A)
 &rst
  ixpk= 3540, nxpk= 25, iat= 702, 704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 LEU  HA           46 ALA  MB          3.50    (#   3541:25  Unique         2.91, 3.85 A)
 &rst
  ixpk= 3541, nxpk= 25, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 706, 707, 708,
 &end
#
#    0 AMB  25-2:3542    46 ALA  MB          5.50    (#   3542:25  Single Ambig)
 &rst
  ixpk= 3542, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 727, 728, 683,
 igr2= 706, 707, 708,
 &end
#
#    0 AMB  25-2:3543    46 ALA  MB          4.50    (#   3543:25  Single Ambig)
 &rst
  ixpk= 3543, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 336, 322, 323,
 igr2= 706, 707, 708,
 &end
#
#    0 AMB  25-2:3544    47 SER  HA          5.50    (#   3544:25  Single Ambig)
 &rst
  ixpk= 3544, nxpk= 25, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 731, 740, 733, 738,
 &end
#
#    0 AMB  25-2:3545    47 SER  HA          5.50    (#   3545:25  Single Ambig)
 &rst
  ixpk= 3545, nxpk= 25, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 706, 707, 708, 312, 313, 314,
 &end
#
#   48 TYR  HN           47 SER  HB+         4.50    (#   3546:25  Unique         3.09, 3.89 A)
 &rst
  ixpk= 3546, nxpk= 25, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 716, 717,
 &end
#
#   47 SER  HA           47 SER  HB-         2.50    (#   3547:25  Unique         2.39, 2.74 A)
 &rst
  ixpk= 3547, nxpk= 25, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 716, 717,
 &end
#
#   47 SER  HA           47 SER  HB+         3.50    (#   3548:25  Unique         2.39, 2.74 A)
 &rst
  ixpk= 3548, nxpk= 25, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 716, 717,
 &end
#
#  109 ALA  MB           47 SER  HB-         5.50    (#   3549:25  Unique         3.55, 5.53 A)
 &rst
  ixpk= 3549, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1650,1651,1652,
 igr2= 716, 717,
 &end
#
#   49 LYS  HN           48 TYR  HB-         5.50    (#   3550:25  Unique         2.33, 3.12 A)
 &rst
  ixpk= 3550, nxpk= 25, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 727, 728,
 &end
#
#   50 VAL  HB           49 LYS  HA          5.50    (#   3551:25  Unique         4.54, 4.59 A)
 &rst
  ixpk= 3551, nxpk= 25, iat= 770, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  QD           49 LYS  HA          4.50    (#   3552:25  Unique         3.82, 4.50 A)
 &rst
  ixpk= 3552, nxpk= 25, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 754, 755,
 &end
#
#   49 LYS  HB+          49 LYS  HA          4.50    (#   3553:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 3553, nxpk= 25, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 748, 749,
 &end
#
#   28 LYS  HD-          54 ASP  HB-         5.50    (#   3554:25  Unique         2.35, 4.48 A)
 &rst
  ixpk= 3554, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 421, 422,
 igr2= 836, 837,
 &end
#
#   56 LEU  HN           55 GLU  HB+         5.50    (#   3556:25  Unique         2.93, 3.85 A)
 &rst
  ixpk= 3556, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 848, 849,
 &end
#
#   56 LEU  HN           55 GLU  HB-         5.50    (#   3557:25  Unique         2.93, 3.85 A)
 &rst
  ixpk= 3557, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 848, 849,
 &end
#
#   59 GLY  HN           56 LEU  HB-         5.50    (#   3558:25  Unique         2.69, 3.88 A)
 &rst
  ixpk= 3558, nxpk= 25, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 863, 864,
 &end
#
#   56 LEU  HG           56 LEU  HB-         4.50    (#   3559:25  Unique         2.29, 2.75 A)
 &rst
  ixpk= 3559, nxpk= 25, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 863, 864,
 &end
#
#   56 LEU  HG           56 LEU  HB+         4.50    (#   3561:25  Unique         2.29, 2.75 A)
 &rst
  ixpk= 3561, nxpk= 25, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 863, 864,
 &end
#
#    0 AMB  25-2:3562    56 LEU  MDY         4.50    (#   3562:25  Single Ambig)
 &rst
  ixpk= 3562, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 820, 848, 849,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#   57 SER  HN           57 SER  QB          5.50    (#   3563:25  Unique         2.63, 3.08 A)
 &rst
  ixpk= 3563, nxpk= 25, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 882, 883,
 &end
#
#   59 GLY  HN           58 ASP  HA          4.50    (#   3564:25  Unique         2.84, 2.95 A)
 &rst
  ixpk= 3564, nxpk= 25, iat= 901, 891, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 ASP  HN           58 ASP  HA          4.50    (#   3565:25  Unique         2.96, 2.97 A)
 &rst
  ixpk= 3565, nxpk= 25, iat= 889, 891, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:3566     0 AMB  25-1:3566   4.50    (#   3566:25  Double Ambig)
 &rst
  ixpk= 3566, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 868, 869, 870, 872, 873, 874, 822, 823, 824, 826,
       827, 828,
 igr2= 903, 904, 903, 904,
 &end
#
#   56 LEU  HB-          59 GLY  HA+         5.50    (#   3567:25  Unique         2.26, 3.49 A)
 &rst
  ixpk= 3567, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 863, 864,
 igr2= 903, 904,
 &end
#
#   56 LEU  HN           59 GLY  HA+         5.50    (#   3568:25  Unique         3.53, 4.20 A)
 &rst
  ixpk= 3568, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 903, 904,
 &end
#
#   26 PHE  HZ           62 LEU  HG          7.00    (#   3569:25  Unique         6.25, 6.75 A)
 &rst
  ixpk= 3569, nxpk= 25, iat= 392, 943, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   26 PHE  HD           62 LEU  HG          5.50    (#   3570:25  Unique         4.33, 6.83 A)
 &rst
  ixpk= 3570, nxpk= 25, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 388, 396,
 &end
#
#    0 AMB  25-2:3571    63 GLN  HA          5.50    (#   3571:25  Single Ambig)
 &rst
  ixpk= 3571, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1012, 983,
 &end
#
#   63 GLN  HE2+         63 GLN  HA          5.50    (#   3572:25  Unique         2.40, 4.23 A)
 &rst
  ixpk= 3572, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 967, 968,
 &end
#
#   66 LEU  HB+          63 GLN  HA          4.50    (#   3573:25  Unique         2.09, 3.22 A)
 &rst
  ixpk= 3573, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 997, 998,
 &end
#
#   66 LEU  MDX          63 GLN  HA          5.50    (#   3574:25  Unique         3.16, 5.33 A)
 &rst
  ixpk= 3574, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   53 LEU  MDX          63 GLN  HA          5.50    (#   3575:25  Unique         2.44, 4.28 A)
 &rst
  ixpk= 3575, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   11 LEU  MDX          65 ALA  HA          4.50    (#   3576:25  Unique         4.12, 6.50 A)
 &rst
  ixpk= 3576, nxpk= 25, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   66 LEU  HB-          66 LEU  MDX         3.50    (#   3578:25  Unique         2.28, 3.55 A)
 &rst
  ixpk= 3578, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 997, 998,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   26 PHE  HA           66 LEU  MDY         5.50    (#   3579:25  Unique         5.58, 6.81 A)
 &rst
  ixpk= 3579, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   79 PHE  HZ           66 LEU  MDY         5.50    (#   3580:25  Unique         2.71, 4.55 A)
 &rst
  ixpk= 3580, nxpk= 25, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   69 TRP  HZ3          66 LEU  MDY         5.50    (#   3581:25  Unique         3.02, 4.29 A)
 &rst
  ixpk= 3581, nxpk= 25, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:3582    66 LEU  MDY         5.50    (#   3582:25  Single Ambig)
 &rst
  ixpk= 3582, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1199,1203, 967, 968,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   64 SER  HN           66 LEU  MDY         5.50    (#   3583:25  Unique         5.79, 7.87 A)
 &rst
  ixpk= 3583, nxpk= 25, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   26 PHE  HN           66 LEU  MDY         5.50    (#   3584:25  Unique         5.00, 6.69 A)
 &rst
  ixpk= 3584, nxpk= 25, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   69 TRP  HE3          69 TRP  HB-         5.50    (#   3585:25  Unique         2.47, 2.97 A)
 &rst
  ixpk= 3585, nxpk= 25, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1043,1044,
 &end
#
#   69 TRP  HN           69 TRP  HB-         4.50    (#   3586:25  Unique         2.23, 2.40 A)
 &rst
  ixpk= 3586, nxpk= 25, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1043,1044,
 &end
#
#    0 AMB  25-2:3587     0 AMB  25-1:3587   5.50    (#   3587:25  Double Ambig)
 &rst
  ixpk= 3587, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 987, 988, 989,1402,1403, 214, 215, 216,
 igr2=1043,1044,1424,1425,1043,1044,
 &end
#
#    0 AMB  25-2:3588    69 TRP  HB-         5.50    (#   3588:25  Single Ambig)
 &rst
  ixpk= 3588, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 987, 988, 989, 214, 215, 216,
 igr2=1043,1044,
 &end
#
#   84 GLN  HE2-         70 THR  HA          5.50    (#   3589:25  Unique         3.46, 5.65 A)
 &rst
  ixpk= 3589, nxpk= 25, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1276,1277,
 &end
#
#    0 AMB  25-2:3590    70 THR  HA          5.50    (#   3590:25  Single Ambig)
 &rst
  ixpk= 3590, nxpk= 25, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1276,1277,1047,
 &end
#
#   69 TRP  HB+          70 THR  HA          5.50    (#   3591:25  Unique         4.29, 5.08 A)
 &rst
  ixpk= 3591, nxpk= 25, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1043,1044,
 &end
#
#   84 GLN  HG+          70 THR  HB          5.50    (#   3592:25  Unique         2.20, 3.54 A)
 &rst
  ixpk= 3592, nxpk= 25, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1271,1272,
 &end
#
#   84 GLN  HG-          70 THR  HB          5.50    (#   3593:25  Unique         2.20, 3.54 A)
 &rst
  ixpk= 3593, nxpk= 25, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1271,1272,
 &end
#
#    0 AMB  25-2:3594    70 THR  MG2         5.50    (#   3594:25  Single Ambig)
 &rst
  ixpk= 3594, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1054,1035,
 igr2=1069,1070,1071,
 &end
#
#   66 LEU  HB+          70 THR  MG2         5.50    (#   3596:25  Unique         3.90, 5.56 A)
 &rst
  ixpk= 3596, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 997, 998,
 igr2=1069,1070,1071,
 &end
#
#    0 AMB  25-2:3597    72 ARG  HA          4.50    (#   3597:25  Single Ambig)
 &rst
  ixpk= 3597, nxpk= 25, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1084,1168,1169,
 &end
#
#   73 GLY  HA+          72 ARG  HA          5.50    (#   3598:25  Unique         4.46, 4.74 A)
 &rst
  ixpk= 3598, nxpk= 25, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1110,1111,
 &end
#
#   77 ASN  HD2-         72 ARG  HB-         5.50    (#   3599:25  Unique         2.34, 3.90 A)
 &rst
  ixpk= 3599, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1088,1089,
 &end
#
#   77 ASN  HD2-         72 ARG  HB+         5.50    (#   3600:25  Unique         2.34, 3.90 A)
 &rst
  ixpk= 3600, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1088,1089,
 &end
#
#   72 ARG  HA           72 ARG  HB+         4.50    (#   3601:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 3601, nxpk= 25, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1088,1089,
 &end
#
#   72 ARG  HA           72 ARG  HB-         4.50    (#   3602:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 3602, nxpk= 25, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1088,1089,
 &end
#
#   72 ARG  HD+          72 ARG  HB+         5.50    (#   3603:25  Unique         2.20, 3.04 A)
 &rst
  ixpk= 3603, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1094,1095,
 igr2=1088,1089,
 &end
#
#   72 ARG  HD+          72 ARG  HB-         5.50    (#   3604:25  Unique         2.20, 3.04 A)
 &rst
  ixpk= 3604, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1094,1095,
 igr2=1088,1089,
 &end
#
#   77 ASN  HD2+         72 ARG  HD+         5.50    (#   3605:25  Unique         3.23, 4.70 A)
 &rst
  ixpk= 3605, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1094,1095,
 &end
#
#   72 ARG  HE           72 ARG  HD+         5.50    (#   3606:25  Unique         2.29, 2.69 A)
 &rst
  ixpk= 3606, nxpk= 25, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1094,1095,
 &end
#
#   74 THR  HN           72 ARG  HD-         5.50    (#   3607:25  Unique         2.94, 4.98 A)
 &rst
  ixpk= 3607, nxpk= 25, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1094,1095,
 &end
#
#   84 GLN  HE2-         72 ARG  HD-         5.50    (#   3608:25  Unique         2.39, 4.48 A)
 &rst
  ixpk= 3608, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1276,1277,
 igr2=1094,1095,
 &end
#
#    0 AMB  25-2:3609     0 AMB  25-1:3609   5.50    (#   3609:25  Double Ambig)
 &rst
  ixpk= 3609, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1309,1310,1302,1303,
 igr2=1094,1095,1094,1095,
 &end
#
#   86 GLY  HA-          72 ARG  HD-         5.50    (#   3610:25  Unique         3.16, 4.94 A)
 &rst
  ixpk= 3610, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1302,1303,
 igr2=1094,1095,
 &end
#
#   73 GLY  HN           73 GLY  HA+         5.50    (#   3611:25  Unique         2.26, 2.59 A)
 &rst
  ixpk= 3611, nxpk= 25, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1110,1111,
 &end
#
#    0 AMB  25-2:3612    75 VAL  HA          5.50    (#   3612:25  Single Ambig)
 &rst
  ixpk= 3612, nxpk= 25, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1152,1153,1149,1150,
 &end
#
#   63 GLN  HE2+         75 VAL  MGX         5.50    (#   3613:25  Unique         2.78, 5.57 A)
 &rst
  ixpk= 3613, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 967, 968,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   75 VAL  HB           76 PRO  HB+         5.50    (#   3614:25  Unique         3.73, 4.54 A)
 &rst
  ixpk= 3614, nxpk= 25, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1152,1153,
 &end
#
#   75 VAL  HB           76 PRO  HB-         5.50    (#   3615:25  Unique         3.73, 4.54 A)
 &rst
  ixpk= 3615, nxpk= 25, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1152,1153,
 &end
#
#    0 AMB  25-2:3616     0 AMB  25-1:3616   5.50    (#   3616:25  Double Ambig)
 &rst
  ixpk= 3616, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 510, 511,1146,1147,1309,1310,
 igr2=1152,1153,1152,1153,1152,1153,
 &end
#
#   77 ASN  HN           76 PRO  HB+         5.50    (#   3617:25  Unique         2.66, 3.20 A)
 &rst
  ixpk= 3617, nxpk= 25, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1152,1153,
 &end
#
#   33 TYR  HB-          76 PRO  HD-         5.50    (#   3618:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 3618, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 489, 490,
 igr2=1146,1147,
 &end
#
#    0 AMB  25-2:3619    76 PRO  HD-         5.50    (#   3619:25  Single Ambig)
 &rst
  ixpk= 3619, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1152,1153, 473, 472,
 igr2=1146,1147,
 &end
#
#   88 CYS  HB-          76 PRO  HD-         5.50    (#   3620:25  Unique         2.41, 3.98 A)
 &rst
  ixpk= 3620, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1318,1319,
 igr2=1146,1147,
 &end
#
#   37 VAL  MGY          76 PRO  HD+         5.50    (#   3621:25  Unique         4.39, 6.20 A)
 &rst
  ixpk= 3621, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2=1146,1147,
 &end
#
#   78 VAL  HN           77 ASN  HA          3.50    (#   3622:25  Unique         2.17, 2.22 A)
 &rst
  ixpk= 3622, nxpk= 25, iat=1173,1161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 PHE  HD           77 ASN  HB+         5.50    (#   3623:25  Unique         2.69, 5.23 A)
 &rst
  ixpk= 3623, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 388, 396,
 igr2=1163,1164,
 &end
#
#   77 ASN  HD2-         77 ASN  HB+         5.50    (#   3624:25  Unique         2.18, 3.19 A)
 &rst
  ixpk= 3624, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1163,1164,
 &end
#
#   79 PHE  HB+          79 PHE  HA          5.50    (#   3626:25  Unique         2.54, 2.81 A)
 &rst
  ixpk= 3626, nxpk= 25, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#   80 ILE  HA           80 ILE  HG1+        5.50    (#   3627:25  Unique         2.47, 2.83 A)
 &rst
  ixpk= 3627, nxpk= 25, iat=1211,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1219,1220,
 &end
#
#  103 LEU  HN           80 ILE  MG2         7.00    (#   3628:25  Unique         5.61, 6.99 A)
 &rst
  ixpk= 3628, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1215,1216,1217,
 &end
#
#    0 AMB  25-2:3629    80 ILE  MG2         4.50    (#   3629:25  Single Ambig)
 &rst
  ixpk= 3629, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1628, 328,
 igr2=1215,1216,1217,
 &end
#
#    0 AMB  25-2:3630    80 ILE  MG2         5.50    (#   3630:25  Single Ambig)
 &rst
  ixpk= 3630, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1618,1619,1411,1412,
 igr2=1215,1216,1217,
 &end
#
#  104 LEU  MDY          80 ILE  MG2         4.50    (#   3631:25  Unique         2.49, 5.59 A)
 &rst
  ixpk= 3631, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1587,1588,1589,1591,1592,1593,
 igr2=1215,1216,1217,
 &end
#
#    0 AMB  25-2:3632    80 ILE  MD1         5.50    (#   3632:25  Single Ambig)
 &rst
  ixpk= 3632, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1411,1412,1411,1412,
 igr2=1222,1223,1224,
 &end
#
#    0 AMB  25-2:3633    80 ILE  MD1         5.50    (#   3633:25  Single Ambig)
 &rst
  ixpk= 3633, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1353,1193,1194,
 igr2=1222,1223,1224,
 &end
#
#    0 AMB  25-2:3634    81 GLY  HA-         5.50    (#   3634:25  Single Ambig)
 &rst
  ixpk= 3634, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1211, 334,
 igr2=1230,1231,
 &end
#
#   84 GLN  HG-          84 GLN  HA          4.50    (#   3635:25  Unique         2.29, 3.01 A)
 &rst
  ixpk= 3635, nxpk= 25, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1271,1272,
 &end
#
#   79 PHE  HE           84 GLN  HB-         5.50    (#   3636:25  Unique         2.72, 4.46 A)
 &rst
  ixpk= 3636, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1199,1203,
 igr2=1268,1269,
 &end
#
#   79 PHE  HE           84 GLN  HB+         5.50    (#   3637:25  Unique         2.72, 4.46 A)
 &rst
  ixpk= 3637, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1199,1203,
 igr2=1268,1269,
 &end
#
#   79 PHE  HZ           84 GLN  HB-         5.50    (#   3638:25  Unique         2.98, 4.11 A)
 &rst
  ixpk= 3638, nxpk= 25, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1268,1269,
 &end
#
#   83 LYS  HA           84 GLN  HB-         5.50    (#   3639:25  Unique         4.22, 4.66 A)
 &rst
  ixpk= 3639, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1268,1269,
 &end
#
#   70 THR  HB           84 GLN  HG+         5.50    (#   3640:25  Unique         2.20, 3.54 A)
 &rst
  ixpk= 3640, nxpk= 25, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1271,1272,
 &end
#
#    0 AMB  25-2:3641     0 AMB  25-1:3641   5.50    (#   3641:25  Double Ambig)
 &rst
  ixpk= 3641, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1067,1599,
 igr2=1271,1272,1684,1685,
 &end
#
#   79 PHE  HE           84 GLN  HG+         5.50    (#   3642:25  Unique         2.86, 4.20 A)
 &rst
  ixpk= 3642, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1199,1203,
 igr2=1271,1272,
 &end
#
#    0 AMB  25-2:3643    85 ILE  HB          5.50    (#   3643:25  Single Ambig)
 &rst
  ixpk= 3643, nxpk= 25, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1266,1411,1412,
 &end
#
#    0 AMB  25-2:3644    85 ILE  HG1-        5.50    (#   3644:25  Single Ambig)
 &rst
  ixpk= 3644, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1300,1276,1277,
 igr2=1291,1292,
 &end
#
#   79 PHE  HA           85 ILE  HG1+        5.50    (#   3645:25  Unique         2.33, 3.29 A)
 &rst
  ixpk= 3645, nxpk= 25, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1291,1292,
 &end
#
#   83 LYS  HA           85 ILE  MD1         5.50    (#   3647:25  Unique         5.15, 6.12 A)
 &rst
  ixpk= 3647, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1294,1295,1296,
 &end
#
#   79 PHE  HB+          85 ILE  MD1         5.50    (#   3648:25  Unique         4.69, 6.96 A)
 &rst
  ixpk= 3648, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1193,1194,
 igr2=1294,1295,1296,
 &end
#
#   83 LYS  QE           85 ILE  MD1         5.50    (#   3649:25  Unique         2.49, 5.70 A)
 &rst
  ixpk= 3649, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1255,1256,
 igr2=1294,1295,1296,
 &end
#
#   86 GLY  HA-          85 ILE  MD1         5.50    (#   3650:25  Unique         6.80, 7.48 A)
 &rst
  ixpk= 3650, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1302,1303,
 igr2=1294,1295,1296,
 &end
#
#   83 LYS  QG           85 ILE  MD1         3.50    (#   3651:25  Unique         2.53, 4.65 A)
 &rst
  ixpk= 3651, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1249,1250,
 igr2=1294,1295,1296,
 &end
#
#   90 THR  MG2          86 GLY  HA+         4.50    (#   3652:25  Unique         2.26, 4.09 A)
 &rst
  ixpk= 3652, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1343,1344,1345,
 igr2=1302,1303,
 &end
#
#   85 ILE  MG2          86 GLY  HA+         5.50    (#   3653:25  Unique         3.49, 5.21 A)
 &rst
  ixpk= 3653, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1287,1288,1289,
 igr2=1302,1303,
 &end
#
#   85 ILE  MG2          86 GLY  HA-         5.50    (#   3654:25  Unique         3.49, 5.21 A)
 &rst
  ixpk= 3654, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1287,1288,1289,
 igr2=1302,1303,
 &end
#
#   88 CYS  HN           87 GLY  HA+         4.50    (#   3655:25  Unique         2.34, 2.58 A)
 &rst
  ixpk= 3655, nxpk= 25, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1309,1310,
 &end
#
#   87 GLY  HN           87 GLY  HA+         4.50    (#   3656:25  Unique         2.41, 2.76 A)
 &rst
  ixpk= 3656, nxpk= 25, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1309,1310,
 &end
#
#    0 AMB  25-2:3658    87 GLY  HA-         5.50    (#   3658:25  Single Ambig)
 &rst
  ixpk= 3658, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1152,1153,1149,1150,
 igr2=1309,1310,
 &end
#
#    0 AMB  25-2:3659     0 AMB  25-1:3659   5.50    (#   3659:25  Double Ambig)
 &rst
  ixpk= 3659, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
 igr1= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
      1362,1363,1357,1358,1359,1361,1362,1363,
 igr2=1309,1310,1309,1310,1309,1310,
 &end
#
#    0 AMB  25-2:3660    87 GLY  HA-         5.50    (#   3660:25  Single Ambig)
 &rst
  ixpk= 3660, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
      1362,1363,1357,1358,1359,1361,1362,1363,
 igr2=1309,1310,
 &end
#
#   89 ASP  HN           88 CYS  HB-         5.50    (#   3661:25  Unique         2.46, 3.48 A)
 &rst
  ixpk= 3661, nxpk= 25, iat=1325,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1318,1319,
 &end
#
#   33 TYR  HD           88 CYS  HB+         5.50    (#   3662:25  Unique         2.27, 4.66 A)
 &rst
  ixpk= 3662, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 493, 502,
 igr2=1318,1319,
 &end
#
#   33 TYR  HD           88 CYS  HB-         5.50    (#   3663:25  Unique         2.27, 4.66 A)
 &rst
  ixpk= 3663, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 493, 502,
 igr2=1318,1319,
 &end
#
#   76 PRO  HD-          88 CYS  HB+         5.50    (#   3664:25  Unique         2.41, 3.98 A)
 &rst
  ixpk= 3664, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1146,1147,
 igr2=1318,1319,
 &end
#
#   76 PRO  HD-          88 CYS  HB-         5.50    (#   3665:25  Unique         2.41, 3.98 A)
 &rst
  ixpk= 3665, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1146,1147,
 igr2=1318,1319,
 &end
#
#   33 TYR  HB-          88 CYS  HB+         5.50    (#   3666:25  Unique         2.30, 3.59 A)
 &rst
  ixpk= 3666, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 489, 490,
 igr2=1318,1319,
 &end
#
#   37 VAL  MGX          88 CYS  HB-         5.50    (#   3667:25  Unique         2.37, 5.03 A)
 &rst
  ixpk= 3667, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2=1318,1319,
 &end
#
#    0 AMB  25-2:3668   100 LEU  HA          5.50    (#   3668:25  Single Ambig)
 &rst
  ixpk= 3668, nxpk= 25, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1546,1547,1353,
 &end
#
#  101 LEU  HN          100 LEU  HA          5.50    (#   3669:25  Unique         3.58, 3.60 A)
 &rst
  ixpk= 3669, nxpk= 25, iat=1526,1509, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   94 LYS  QG           90 THR  HA          5.50    (#   3670:25  Unique         3.76, 4.76 A)
 &rst
  ixpk= 3670, nxpk= 25, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1405,1406,
 &end
#
#    0 AMB  25-2:3671    90 THR  HB          5.50    (#   3671:25  Single Ambig)
 &rst
  ixpk= 3671, nxpk= 25, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1367,1398,1383,
 &end
#
#   86 GLY  HA+          90 THR  HB          5.50    (#   3672:25  Unique         2.55, 3.56 A)
 &rst
  ixpk= 3672, nxpk= 25, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1302,1303,
 &end
#
#   91 VAL  HA           90 THR  HB          5.50    (#   3673:25  Unique         3.99, 4.06 A)
 &rst
  ixpk= 3673, nxpk= 25, iat=1353,1341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:3674    90 THR  HB          5.50    (#   3674:25  Single Ambig)
 &rst
  ixpk= 3674, nxpk= 25, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1355,1387,1388,
 &end
#
#   86 GLY  HA+          90 THR  MG2         4.50    (#   3675:25  Unique         2.26, 4.09 A)
 &rst
  ixpk= 3675, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1302,1303,
 igr2=1343,1344,1345,
 &end
#
#   94 LYS  HA           91 VAL  HA          5.50    (#   3677:25  Unique         5.19, 5.29 A)
 &rst
  ixpk= 3677, nxpk= 25, iat=1400,1353, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 PRO  HB+          37 VAL  HB          5.50    (#   3678:25  Unique         3.52, 3.85 A)
 &rst
  ixpk= 3678, nxpk= 25, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1152,1153,
 &end
#
#   40 LEU  MDY          92 VAL  HA          5.50    (#   3679:25  Unique         2.26, 3.40 A)
 &rst
  ixpk= 3679, nxpk= 25, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   93 GLU  HA           92 VAL  MGX         4.50    (#   3680:25  Unique         3.45, 5.66 A)
 &rst
  ixpk= 3680, nxpk= 25, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   95 HIS  HD2          95 HIS  HB-         5.50    (#   3684:25  Unique         2.57, 3.11 A)
 &rst
  ixpk= 3684, nxpk= 25, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1424,1425,
 &end
#
#   95 HIS  HD2          95 HIS  HB+         5.50    (#   3685:25  Unique         2.57, 3.11 A)
 &rst
  ixpk= 3685, nxpk= 25, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1424,1425,
 &end
#
#   40 LEU  HG           95 HIS  HB+         5.50    (#   3686:25  Unique         3.27, 3.86 A)
 &rst
  ixpk= 3686, nxpk= 25, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1424,1425,
 &end
#
#    0 AMB  25-2:3687     0 AMB  25-1:3687   5.50    (#   3687:25  Double Ambig)
 &rst
  ixpk= 3687, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 901,1578,
 igr2= 866,1566,
 &end
#
#   56 LEU  HN           56 LEU  HG          5.50    (#   3688:25  Unique         2.35, 4.37 A)
 &rst
  ixpk= 3688, nxpk= 25, iat= 859, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 ASP  HN          117 LEU  MDX         5.50    (#   3689:25  Unique         3.03, 6.18 A)
 &rst
  ixpk= 3689, nxpk= 25, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1766,1767,1768,1770,1771,1772,
 &end
#
#    0 AMB  25-2:3690   106 ASP  HA          7.00    (#   3690:25  Single Ambig)
 &rst
  ixpk= 3690, nxpk= 25, iat=  -1,1616, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1604,1605,1552,1553,
 &end
#
#  116 GLN  HA          106 ASP  HB+         5.50    (#   3691:25  Unique         2.72, 7.43 A)
 &rst
  ixpk= 3691, nxpk= 25, iat=1742,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1618,1619,
 &end
#
#    0 AMB  25-2:3692     0 AMB  25-1:3692   4.50    (#   3692:25  Double Ambig)
 &rst
  ixpk= 3692, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1630,1631,1632,1563,1564,
 igr2=1618,1619,1618,1619,
 &end
#
#  106 ASP  HB-         107 ALA  HA          5.50    (#   3693:25  Unique         4.36, 5.23 A)
 &rst
  ixpk= 3693, nxpk= 25, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1618,1619,
 &end
#
#   81 GLY  HA-         107 ALA  MB          4.50    (#   3694:25  Unique         2.60, 3.90 A)
 &rst
  ixpk= 3694, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1230,1231,
 igr2=1630,1631,1632,
 &end
#
#    0 AMB  25-2:3697   108 ALA  HA          5.50    (#   3697:25  Single Ambig)
 &rst
  ixpk= 3697, nxpk= 25, iat=  -1,1638, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1601,1602,1582,1583, 322, 323,
 &end
#
#   46 ALA  HA          110 THR  MG2         3.50    (#   3698:25  Unique         2.29, 3.16 A)
 &rst
  ixpk= 3698, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1662,1663,1664,
 &end
#
#  111 ALA  HN          110 THR  MG2         4.50    (#   3699:25  Unique         3.32, 4.86 A)
 &rst
  ixpk= 3699, nxpk= 25, iat=1670,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1662,1663,1664,
 &end
#
#  112 LYS  HN          111 ALA  MB          4.50    (#   3700:25  Unique         3.63, 4.41 A)
 &rst
  ixpk= 3700, nxpk= 25, iat=1680,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1674,1675,1676,
 &end
#
#  113 ASN  HB+         113 ASN  HA          4.50    (#   3701:25  Unique         2.30, 2.71 A)
 &rst
  ixpk= 3701, nxpk= 25, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1706,1707,
 &end
#
#  113 ASN  HB-         113 ASN  HA          4.50    (#   3702:25  Unique         2.30, 2.71 A)
 &rst
  ixpk= 3702, nxpk= 25, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1706,1707,
 &end
#
#  114 PRO  HD+         113 ASN  HA          3.50    (#   3703:25  Unique         2.11, 2.54 A)
 &rst
  ixpk= 3703, nxpk= 25, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1717,1718,
 &end
#
#  113 ASN  HA          114 PRO  QG          5.50    (#   3704:25  Unique         4.28, 4.64 A)
 &rst
  ixpk= 3704, nxpk= 25, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1720,1721,
 &end
#
#  117 LEU  HN          117 LEU  HA          5.50    (#   3705:25  Unique         2.76, 2.87 A)
 &rst
  ixpk= 3705, nxpk= 25, iat=1757,1759, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 ALA  MB            6 GLU  HG-         5.50    (#   3706:25  Unique         3.62, 5.70 A)
 &rst
  ixpk= 3706, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 131, 132, 133,
 igr2=  88,  89,
 &end
#
#   48 TYR  HE           38 LYS  HG+         5.50    (#   3707:25  Unique         2.25, 4.88 A)
 &rst
  ixpk= 3707, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 733, 738,
 igr2= 578, 579,
 &end
#
#   48 TYR  HE           38 LYS  HG-         5.50    (#   3708:25  Unique         2.25, 4.88 A)
 &rst
  ixpk= 3708, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 733, 738,
 igr2= 578, 579,
 &end
#
#   38 LYS  HA           38 LYS  HG+         5.50    (#   3709:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 3709, nxpk= 25, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 578, 579,
 &end
#
#   38 LYS  HA           38 LYS  HG-         5.50    (#   3710:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 3710, nxpk= 25, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 578, 579,
 &end
#
#    0 AMB  25-2:3711    38 LYS  HG-         5.50    (#   3711:25  Single Ambig)
 &rst
  ixpk= 3711, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 584, 585, 584, 585,
 igr2= 578, 579,
 &end
#
#    0 AMB  25-2:3712     0 AMB  25-1:3712   5.50    (#   3712:25  Double Ambig)
 &rst
  ixpk= 3712, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 584, 585, 584, 585,
 igr2= 578, 579, 578, 579,
 &end
#
#    0 AMB  25-2:3713    38 LYS  HG-         5.50    (#   3713:25  Single Ambig)
 &rst
  ixpk= 3713, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 575, 576, 559,
 igr2= 578, 579,
 &end
#
#    0 AMB  25-2:3714     0 AMB  25-1:3714   5.50    (#   3714:25  Double Ambig)
 &rst
  ixpk= 3714, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 575, 576, 559,
 igr2= 578, 579, 578, 579,
 &end
#
#   95 HIS  HD2          95 HIS  HE1         5.50    (#      0:26  Unique         4.26, 4.26 A)
 &rst
  ixpk= 0, nxpk= 26, iat=1433,1430, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  26-2:1       95 HIS  HE1         4.50    (#      1:26  Single Ambig)
 &rst
  ixpk= 1, nxpk= 26, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1533,1530,1531,
 &end
#
#   44 VAL  HB           95 HIS  HE1         5.50    (#      3:26  Unique         2.55, 4.43 A)
 &rst
  ixpk= 3, nxpk= 26, iat= 683,1430, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  101 LEU  MDY          95 HIS  HE1         4.50    (#      4:26  Unique         2.80, 5.78 A)
 &rst
  ixpk= 4, nxpk= 26, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#   44 VAL  MGY          95 HIS  HE1         2.50    (#      5:26  Unique         2.43, 4.25 A)
 &rst
  ixpk= 5, nxpk= 26, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#   40 LEU  MDX          95 HIS  HE1         5.50    (#      6:26  Unique         4.85, 6.56 A)
 &rst
  ixpk= 6, nxpk= 26, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  26-2:8       68 HIS  HE1         4.50    (#      8:26  Single Ambig)
 &rst
  ixpk= 8, nxpk= 26, iat=  -1,1032, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 105, 106, 107, 109, 110, 111, 105, 106, 107, 109,
       110, 111,
 &end
#
#   50 VAL  MGX          48 TYR  HD          2.50    (#      9:26  Unique         2.39, 6.27 A)
 &rst
  ixpk= 9, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 772, 773, 774, 776, 777, 778,
 igr2= 731, 740,
 &end
#
#   48 TYR  HB-          48 TYR  HD          3.50    (#     10:26  Unique         2.35, 3.08 A)
 &rst
  ixpk= 10, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 727, 728,
 igr2= 731, 740,
 &end
#
#   30 TYR  HN           30 TYR  HD          4.50    (#     11:26  Unique         2.36, 3.47 A)
 &rst
  ixpk= 11, nxpk= 26, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 455, 464,
 &end
#
#   48 TYR  HN           48 TYR  HD          4.50    (#     12:26  Unique         2.17, 3.82 A)
 &rst
  ixpk= 12, nxpk= 26, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 731, 740,
 &end
#
#   48 TYR  HB+          48 TYR  HD          3.50    (#     13:26  Unique         2.35, 3.08 A)
 &rst
  ixpk= 13, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 727, 728,
 igr2= 731, 740,
 &end
#
#   46 ALA  MB           48 TYR  HD          3.50    (#     14:26  Unique         2.45, 5.67 A)
 &rst
  ixpk= 14, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 706, 707, 708,
 igr2= 731, 740,
 &end
#
#   41 LEU  HB-          48 TYR  HD          3.50    (#     15:26  Unique         2.22, 4.15 A)
 &rst
  ixpk= 15, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 633, 634,
 igr2= 731, 740,
 &end
#
#   25 VAL  MGY          48 TYR  HD          4.50    (#     16:26  Unique         2.61, 6.31 A)
 &rst
  ixpk= 16, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 370, 371, 372, 374, 375, 376,
 igr2= 731, 740,
 &end
#
#   41 LEU  MDY          48 TYR  HD          4.50    (#     17:26  Unique         2.95, 5.37 A)
 &rst
  ixpk= 17, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 731, 740,
 &end
#
#   49 LYS  HN           48 TYR  HD          5.50    (#     18:26  Unique         3.11, 4.48 A)
 &rst
  ixpk= 18, nxpk= 26, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 731, 740,
 &end
#
#   30 TYR  HE           30 TYR  HD          2.50    (#     20:26  Unique         2.46, 3.72 A)
 &rst
  ixpk= 20, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 457, 462,
 igr2= 455, 464,
 &end
#
#   30 TYR  HA           30 TYR  HD          4.50    (#     21:26  Unique         4.13, 4.23 A)
 &rst
  ixpk= 21, nxpk= 26, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 455, 464,
 &end
#
#   30 TYR  HB-          30 TYR  HD          2.50    (#     22:26  Unique         2.41, 3.09 A)
 &rst
  ixpk= 22, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 451, 452,
 igr2= 455, 464,
 &end
#
#   30 TYR  HB+          30 TYR  HD          2.50    (#     23:26  Unique         2.41, 3.09 A)
 &rst
  ixpk= 23, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 451, 452,
 igr2= 455, 464,
 &end
#
#   48 TYR  HA           48 TYR  HD          4.50    (#     24:26  Unique         4.16, 4.27 A)
 &rst
  ixpk= 24, nxpk= 26, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 731, 740,
 &end
#
#    0 AMB  26-2:25      33 TYR  HD          3.50    (#     25:26  Single Ambig)
 &rst
  ixpk= 25, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 489, 490, 541, 542,
 igr2= 493, 502,
 &end
#
#   33 TYR  HN           33 TYR  HD          4.50    (#     27:26  Unique         2.20, 3.60 A)
 &rst
  ixpk= 27, nxpk= 26, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 493, 502,
 &end
#
#   33 TYR  HE           33 TYR  HD          2.50    (#     28:26  Unique         2.47, 3.73 A)
 &rst
  ixpk= 28, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 495, 500,
 igr2= 493, 502,
 &end
#
#   33 TYR  HA           33 TYR  HD          4.50    (#     30:26  Unique         2.42, 3.46 A)
 &rst
  ixpk= 30, nxpk= 26, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 493, 502,
 &end
#
#   33 TYR  HB-          33 TYR  HD          4.50    (#     31:26  Unique         2.36, 3.09 A)
 &rst
  ixpk= 31, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 489, 490,
 igr2= 493, 502,
 &end
#
#   26 PHE  HE           26 PHE  HD          2.50    (#     35:26  Unique         2.47, 3.73 A)
 &rst
  ixpk= 35, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 390, 394,
 igr2= 388, 396,
 &end
#
#   51 VAL  HB           26 PHE  HD          4.50    (#     36:26  Unique         2.41, 4.03 A)
 &rst
  ixpk= 36, nxpk= 26, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 388, 396,
 &end
#
#   26 PHE  HA           26 PHE  HD          4.50    (#     37:26  Unique         2.74, 3.55 A)
 &rst
  ixpk= 37, nxpk= 26, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 388, 396,
 &end
#
#   26 PHE  HB+          26 PHE  HD          4.50    (#     38:26  Unique         2.39, 3.09 A)
 &rst
  ixpk= 38, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 384, 385,
 igr2= 388, 396,
 &end
#
#    0 AMB  26-2:39      26 PHE  HD          2.50    (#     39:26  Single Ambig)
 &rst
  ixpk= 39, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 822, 823, 824, 826, 827, 828, 788, 789, 790, 792,
       793, 794,
 igr2= 388, 396,
 &end
#
#    0 AMB  26-2:40      26 PHE  HD          4.50    (#     40:26  Single Ambig)
 &rst
  ixpk= 40, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1002,1003,1004,1006,1007,1008, 354, 355, 356, 358,
       359, 360,
 igr2= 388, 396,
 &end
#
#   26 PHE  HN           26 PHE  HD          4.50    (#     41:26  Unique         2.32, 3.65 A)
 &rst
  ixpk= 41, nxpk= 26, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 388, 396,
 &end
#
#   26 PHE  HB-          26 PHE  HD          4.50    (#     42:26  Unique         2.39, 3.09 A)
 &rst
  ixpk= 42, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 384, 385,
 igr2= 388, 396,
 &end
#
#   53 LEU  MDX          26 PHE  HD          3.50    (#     43:26  Unique         2.16, 5.45 A)
 &rst
  ixpk= 43, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2= 388, 396,
 &end
#
#   79 PHE  HE           79 PHE  HD          3.50    (#     44:26  Unique         2.47, 3.72 A)
 &rst
  ixpk= 44, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1199,1203,
 igr2=1197,1205,
 &end
#
#   79 PHE  HD           79 PHE  HE          3.50    (#     45:26  Unique         2.47, 3.72 A)
 &rst
  ixpk= 45, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1197,1205,
 igr2=1199,1203,
 &end
#
#    0 AMB  26-2:46      26 PHE  HE          4.50    (#     46:26  Single Ambig)
 &rst
  ixpk= 46, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 261, 262, 822, 823, 824, 826, 827, 828,
 igr2= 390, 394,
 &end
#
#   26 PHE  HZ           26 PHE  HE          2.50    (#     47:26  Unique         2.48, 2.48 A)
 &rst
  ixpk= 47, nxpk= 26, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 390, 394,
 &end
#
#    0 AMB  26-2:48      26 PHE  HE          2.50    (#     48:26  Single Ambig)
 &rst
  ixpk= 48, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 788, 789, 790, 792, 793, 794, 280, 281, 282, 354,
       355, 356, 358, 359, 360,
 igr2= 390, 394,
 &end
#
#   26 PHE  HD           26 PHE  HE          2.50    (#     50:26  Unique         2.47, 3.73 A)
 &rst
  ixpk= 50, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 388, 396,
 igr2= 390, 394,
 &end
#
#   79 PHE  HD           79 PHE  HZ          5.50    (#     52:26  Unique         4.29, 4.30 A)
 &rst
  ixpk= 52, nxpk= 26, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1197,1205,
 &end
#
#   79 PHE  HE           79 PHE  HZ          2.50    (#     53:26  Unique         2.48, 2.49 A)
 &rst
  ixpk= 53, nxpk= 26, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1199,1203,
 &end
#
#    0 AMB  26-2:54      79 PHE  HZ          3.50    (#     54:26  Single Ambig)
 &rst
  ixpk= 54, nxpk= 26, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1069,1070,1071,1002,1003,1004,1006,1007,1008,
 &end
#
#   17 LEU  HB+          26 PHE  HZ          4.50    (#     55:26  Unique         2.41, 2.81 A)
 &rst
  ixpk= 55, nxpk= 26, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   26 PHE  HE           26 PHE  HZ          2.50    (#     56:26  Unique         2.48, 2.48 A)
 &rst
  ixpk= 56, nxpk= 26, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 390, 394,
 &end
#
#    0 AMB  26-2:57      26 PHE  HZ          3.50    (#     57:26  Single Ambig)
 &rst
  ixpk= 57, nxpk= 26, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 280, 281, 282, 354, 355, 356, 358, 359, 360,
 &end
#
#   69 TRP  HB-          69 TRP  HD1         4.50    (#     58:26  Unique         3.26, 3.60 A)
 &rst
  ixpk= 58, nxpk= 26, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1043,1044,
 &end
#
#   69 TRP  HE1          69 TRP  HD1         2.50    (#     59:26  Unique         2.52, 2.52 A)
 &rst
  ixpk= 59, nxpk= 26, iat=1049,1047, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   69 TRP  HZ2          69 TRP  HH2         2.50    (#     61:26  Unique         2.49, 2.49 A)
 &rst
  ixpk= 61, nxpk= 26, iat=1052,1054, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   15 LYS  HA           69 TRP  HH2         4.50    (#     62:26  Unique         2.21, 2.39 A)
 &rst
  ixpk= 62, nxpk= 26, iat= 222,1054, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 TRP  HB-          69 TRP  HD1         5.50    (#     63:26  Unique         3.26, 3.60 A)
 &rst
  ixpk= 63, nxpk= 26, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1043,1044,
 &end
#
#   18 ALA  MB           69 TRP  HH2         3.50    (#     64:26  Unique         2.34, 2.86 A)
 &rst
  ixpk= 64, nxpk= 26, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 280, 281, 282,
 &end
#
#   69 TRP  HZ3          69 TRP  HH2         3.50    (#     65:26  Unique         2.48, 2.48 A)
 &rst
  ixpk= 65, nxpk= 26, iat=1056,1054, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 LYS  HA           69 TRP  HZ3         4.50    (#     66:26  Unique         3.23, 3.45 A)
 &rst
  ixpk= 66, nxpk= 26, iat= 222,1056, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 TRP  HE3          69 TRP  HZ3         3.50    (#     67:26  Unique         2.48, 2.49 A)
 &rst
  ixpk= 67, nxpk= 26, iat=1058,1056, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 TRP  HH2          69 TRP  HZ3         2.50    (#     68:26  Unique         2.48, 2.48 A)
 &rst
  ixpk= 68, nxpk= 26, iat=1054,1056, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   18 ALA  MB           69 TRP  HZ3         3.50    (#     69:26  Unique         2.69, 3.77 A)
 &rst
  ixpk= 69, nxpk= 26, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 280, 281, 282,
 &end
#
#   66 LEU  MDX          69 TRP  HZ3         3.50    (#     70:26  Unique         3.02, 4.29 A)
 &rst
  ixpk= 70, nxpk= 26, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   14 ALA  MB           69 TRP  HZ3         4.50    (#     71:26  Unique         2.32, 3.18 A)
 &rst
  ixpk= 71, nxpk= 26, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 214, 215, 216,
 &end
#
#   11 LEU  MDX          68 HIS  HD2         4.50    (#     73:26  Unique         2.15, 4.58 A)
 &rst
  ixpk= 73, nxpk= 26, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   11 LEU  MDY          68 HIS  HD2         5.50    (#     74:26  Unique         2.15, 4.58 A)
 &rst
  ixpk= 74, nxpk= 26, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#    0 AMB  26-2:75      68 HIS  HD2         3.50    (#     75:26  Single Ambig)
 &rst
  ixpk= 75, nxpk= 26, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1043,1044,1026,1027,
 &end
#
#   65 ALA  MB           68 HIS  HD2         5.50    (#     77:26  Unique         3.59, 4.80 A)
 &rst
  ixpk= 77, nxpk= 26, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 987, 988, 989,
 &end
#
#   69 TRP  HN           68 HIS  HD2         5.50    (#     78:26  Unique         2.71, 2.82 A)
 &rst
  ixpk= 78, nxpk= 26, iat=1039,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  26-2:79      68 HIS  HD2         5.50    (#     79:26  Single Ambig)
 &rst
  ixpk= 79, nxpk= 26, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 117, 974,
 &end
#
#   65 ALA  HA           68 HIS  HD2         5.50    (#     80:26  Unique         2.97, 3.24 A)
 &rst
  ixpk= 80, nxpk= 26, iat= 985,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  26-2:81      68 HIS  HD2         3.50    (#     81:26  Single Ambig)
 &rst
  ixpk= 81, nxpk= 26, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1043,1044,1026,1027,1026,1027,
 &end
#
#   11 LEU  MDY          68 HIS  HD2         4.50    (#     82:26  Unique         2.15, 4.58 A)
 &rst
  ixpk= 82, nxpk= 26, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   69 TRP  HE1          68 HIS  HD2         7.00    (#     83:26  Unique         6.88, 7.01 A)
 &rst
  ixpk= 83, nxpk= 26, iat=1049,1035, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   69 TRP  HE3          68 HIS  HD2         5.50    (#     84:26  Unique         5.50, 5.53 A)
 &rst
  ixpk= 84, nxpk= 26, iat=1058,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  MDX          68 HIS  HD2         4.50    (#     85:26  Unique         2.15, 4.58 A)
 &rst
  ixpk= 85, nxpk= 26, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   68 HIS  HN           68 HIS  HD2         5.50    (#     86:26  Unique         4.16, 4.25 A)
 &rst
  ixpk= 86, nxpk= 26, iat=1022,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 TRP  HZ3          69 TRP  HE3         3.50    (#     88:26  Unique         2.48, 2.49 A)
 &rst
  ixpk= 88, nxpk= 26, iat=1056,1058, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 LEU  HA           69 TRP  HE3         4.50    (#     89:26  Unique         2.36, 2.85 A)
 &rst
  ixpk= 89, nxpk= 26, iat= 995,1058, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 TRP  HB-          69 TRP  HE3         3.50    (#     90:26  Unique         2.47, 2.97 A)
 &rst
  ixpk= 90, nxpk= 26, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1043,1044,
 &end
#
#   66 LEU  MDX          69 TRP  HE3         2.50    (#     91:26  Unique         2.32, 3.86 A)
 &rst
  ixpk= 91, nxpk= 26, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  26-2:92      69 TRP  HE3         5.50    (#     92:26  Single Ambig)
 &rst
  ixpk= 92, nxpk= 26, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1054, 390, 394,1035,
 &end
#
#    0 AMB  26-2:93      69 TRP  HE3         4.50    (#     93:26  Single Ambig)
 &rst
  ixpk= 93, nxpk= 26, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 214, 215, 216, 154,
 &end
#
#   54 ASP  HB+          30 TYR  HE          5.50    (#     94:26  Unique         3.53, 6.55 A)
 &rst
  ixpk= 94, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 836, 837,
 igr2= 457, 462,
 &end
#
#   28 LYS  HE+          30 TYR  HE          5.50    (#     95:26  Unique         2.74, 6.90 A)
 &rst
  ixpk= 95, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 424, 425,
 igr2= 457, 462,
 &end
#
#    0 AMB  26-2:96      30 TYR  HE          4.50    (#     96:26  Single Ambig)
 &rst
  ixpk= 96, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 421, 422, 418, 419,
 igr2= 457, 462,
 &end
#
#   28 LYS  HD-          30 TYR  HE          5.50    (#     97:26  Unique         2.66, 5.02 A)
 &rst
  ixpk= 97, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 421, 422,
 igr2= 457, 462,
 &end
#
#   33 TYR  HD           33 TYR  HE          2.50    (#     99:26  Unique         2.47, 3.73 A)
 &rst
  ixpk= 99, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 493, 502,
 igr2= 495, 500,
 &end
#
#   30 TYR  HD           30 TYR  HE          2.50    (#    100:26  Unique         2.46, 3.72 A)
 &rst
  ixpk= 100, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 455, 464,
 igr2= 457, 462,
 &end
#
#   54 ASP  HB-          30 TYR  HE          5.50    (#    102:26  Unique         3.53, 6.55 A)
 &rst
  ixpk= 102, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 836, 837,
 igr2= 457, 462,
 &end
#
#   95 HIS  HB+          95 HIS  HD2         4.50    (#    104:26  Unique         2.57, 3.11 A)
 &rst
  ixpk= 104, nxpk= 26, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1424,1425,
 &end
#
#   42 THR  HA           48 TYR  HE          4.50    (#    105:26  Unique         2.59, 4.88 A)
 &rst
  ixpk= 105, nxpk= 26, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 733, 738,
 &end
#
#   38 LYS  HE+          48 TYR  HE          4.50    (#    106:26  Unique         2.70, 5.43 A)
 &rst
  ixpk= 106, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 584, 585,
 igr2= 733, 738,
 &end
#
#   46 ALA  MB           48 TYR  HE          4.50    (#    108:26  Unique         4.07, 7.00 A)
 &rst
  ixpk= 108, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 706, 707, 708,
 igr2= 733, 738,
 &end
#
#   50 VAL  MGX          48 TYR  HE          3.50    (#    109:26  Unique         2.26, 5.95 A)
 &rst
  ixpk= 109, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 772, 773, 774, 776, 777, 778,
 igr2= 733, 738,
 &end
#
#   41 LEU  HB-          48 TYR  HE          3.50    (#    110:26  Unique         2.76, 4.35 A)
 &rst
  ixpk= 110, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 633, 634,
 igr2= 733, 738,
 &end
#
#   41 LEU  MDY          48 TYR  HE          4.50    (#    111:26  Unique         3.94, 6.35 A)
 &rst
  ixpk= 111, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 733, 738,
 &end
#
#   95 HIS  HB-          95 HIS  HD2         4.50    (#    112:26  Unique         2.57, 3.11 A)
 &rst
  ixpk= 112, nxpk= 26, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1424,1425,
 &end
#
#    0 AMB  26-2:113     95 HIS  HD2         4.50    (#    113:26  Single Ambig)
 &rst
  ixpk= 113, nxpk= 26, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 685, 686, 687, 689, 690, 691,1516,1517,1518,1520,
      1521,1522,1516,1517,1518,1520,1521,1522,
 &end
#
#   40 LEU  MDX          95 HIS  HD2         3.50    (#    114:26  Unique         2.38, 4.23 A)
 &rst
  ixpk= 114, nxpk= 26, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   69 TRP  HE1          69 TRP  HZ2         4.50    (#    115:26  Unique         2.91, 2.92 A)
 &rst
  ixpk= 115, nxpk= 26, iat=1049,1052, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 TRP  HH2          69 TRP  HZ2         2.50    (#    116:26  Unique         2.49, 2.49 A)
 &rst
  ixpk= 116, nxpk= 26, iat=1054,1052, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  26-2:117     69 TRP  HZ2         4.50    (#    117:26  Single Ambig)
 &rst
  ixpk= 117, nxpk= 26, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 280, 281, 282, 156, 157, 158, 160, 161, 162,
 &end
#
#   68 HIS  HA           68 HIS  HE1         7.00    (#    118:26  Unique         5.50, 5.59 A)
 &rst
  ixpk= 118, nxpk= 26, iat=1024,1032, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   68 HIS  HD2          68 HIS  HE1         5.50    (#    119:26  Unique         4.26, 4.27 A)
 &rst
  ixpk= 119, nxpk= 26, iat=1035,1032, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 THR  HN           48 TYR  HD          5.50    (#    121:26  Unique         4.57, 5.98 A)
 &rst
  ixpk= 121, nxpk= 26, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 731, 740,
 &end
#
#    0 AMB  26-2:123     48 TYR  HD          4.50    (#    123:26  Single Ambig)
 &rst
  ixpk= 123, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 714, 704,
 igr2= 731, 740,
 &end
#
#   23 VAL  HB           48 TYR  HD          5.50    (#    124:26  Unique         4.50, 4.91 A)
 &rst
  ixpk= 124, nxpk= 26, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 731, 740,
 &end
#
#   25 VAL  HB           48 TYR  HD          5.50    (#    125:26  Unique         3.53, 5.85 A)
 &rst
  ixpk= 125, nxpk= 26, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 731, 740,
 &end
#
#   50 VAL  HB           48 TYR  HD          5.50    (#    126:26  Unique         2.53, 6.26 A)
 &rst
  ixpk= 126, nxpk= 26, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 731, 740,
 &end
#
#   38 LYS  HG-          48 TYR  HD          5.50    (#    127:26  Unique         4.01, 6.07 A)
 &rst
  ixpk= 127, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 578, 579,
 igr2= 731, 740,
 &end
#
#   41 LEU  MDX          48 TYR  HD          5.50    (#    128:26  Unique         2.95, 5.37 A)
 &rst
  ixpk= 128, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 731, 740,
 &end
#
#   31 CYS  HA           30 TYR  HD          5.50    (#    129:26  Unique         2.76, 4.50 A)
 &rst
  ixpk= 129, nxpk= 26, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 455, 464,
 &end
#
#   28 LYS  QG           30 TYR  HD          5.50    (#    130:26  Unique         5.30, 7.33 A)
 &rst
  ixpk= 130, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 418, 419,
 igr2= 455, 464,
 &end
#
#   28 LYS  HB+          30 TYR  HD          5.50    (#    132:26  Unique         3.43, 5.19 A)
 &rst
  ixpk= 132, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 415, 416,
 igr2= 455, 464,
 &end
#
#   32 GLY  QA           33 TYR  HD          5.50    (#    133:26  Unique         4.27, 6.11 A)
 &rst
  ixpk= 133, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 480, 481,
 igr2= 493, 502,
 &end
#
#   76 PRO  HD+          33 TYR  HD          5.50    (#    134:26  Unique         3.81, 4.91 A)
 &rst
  ixpk= 134, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1146,1147,
 igr2= 493, 502,
 &end
#
#   88 CYS  HB-          33 TYR  HD          5.50    (#    135:26  Unique         2.27, 4.66 A)
 &rst
  ixpk= 135, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1318,1319,
 igr2= 493, 502,
 &end
#
#   34 CYS  HN           33 TYR  HD          5.50    (#    136:26  Unique         4.49, 5.16 A)
 &rst
  ixpk= 136, nxpk= 26, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 493, 502,
 &end
#
#   77 ASN  HB+          26 PHE  HD          5.50    (#    138:26  Unique         2.69, 5.23 A)
 &rst
  ixpk= 138, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1163,1164,
 igr2= 388, 396,
 &end
#
#   66 LEU  MDX          26 PHE  HD          5.50    (#    139:26  Unique         2.81, 4.87 A)
 &rst
  ixpk= 139, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 388, 396,
 &end
#
#   51 VAL  MGX          26 PHE  HD          5.50    (#    140:26  Unique         2.52, 5.49 A)
 &rst
  ixpk= 140, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 388, 396,
 &end
#
#   14 ALA  HA           26 PHE  HZ          5.50    (#    142:26  Unique         3.00, 3.20 A)
 &rst
  ixpk= 142, nxpk= 26, iat= 212, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 ALA  HA           26 PHE  HZ          5.50    (#    143:26  Unique         3.08, 3.27 A)
 &rst
  ixpk= 143, nxpk= 26, iat= 278, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 VAL  MGX          26 PHE  HZ          5.50    (#    144:26  Unique         3.26, 5.06 A)
 &rst
  ixpk= 144, nxpk= 26, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   18 ALA  HN           26 PHE  HZ          5.50    (#    145:26  Unique         2.51, 2.59 A)
 &rst
  ixpk= 145, nxpk= 26, iat= 276, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 LYS  HN           69 TRP  HZ3         5.50    (#    147:26  Unique         3.84, 4.06 A)
 &rst
  ixpk= 147, nxpk= 26, iat= 220,1056, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PHE  HE           69 TRP  HZ3         5.50    (#    148:26  Unique         3.61, 4.28 A)
 &rst
  ixpk= 148, nxpk= 26, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1199,1203,
 &end
#
#   53 LEU  HG           26 PHE  HD          5.50    (#    150:26  Unique         2.99, 5.73 A)
 &rst
  ixpk= 150, nxpk= 26, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 388, 396,
 &end
#
#   67 ALA  HA           68 HIS  HD2         7.00    (#    151:26  Unique         7.01, 7.08 A)
 &rst
  ixpk= 151, nxpk= 26, iat=1014,1035, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   41 LEU  MDX          48 TYR  HE          5.50    (#    152:26  Unique         3.94, 6.35 A)
 &rst
  ixpk= 152, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 733, 738,
 &end
#
#   25 VAL  MGY          48 TYR  HE          5.50    (#    153:26  Unique         3.92, 7.04 A)
 &rst
  ixpk= 153, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 370, 371, 372, 374, 375, 376,
 igr2= 733, 738,
 &end
#
#   38 LYS  HD+          48 TYR  HE          4.50    (#    154:26  Unique         3.56, 6.49 A)
 &rst
  ixpk= 154, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 581, 582,
 igr2= 733, 738,
 &end
#
#   23 VAL  HB           48 TYR  HE          7.00    (#    155:26  Unique         6.90, 7.18 A)
 &rst
  ixpk= 155, nxpk= 26, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 733, 738,
 &end
#
#   25 VAL  HB           48 TYR  HE          5.50    (#    156:26  Unique         4.33, 6.52 A)
 &rst
  ixpk= 156, nxpk= 26, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 733, 738,
 &end
#
#   48 TYR  HB-          48 TYR  HE          5.50    (#    157:26  Unique         4.64, 5.09 A)
 &rst
  ixpk= 157, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 727, 728,
 igr2= 733, 738,
 &end
#
#   38 LYS  HA           48 TYR  HE          5.50    (#    158:26  Unique         2.86, 3.99 A)
 &rst
  ixpk= 158, nxpk= 26, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 733, 738,
 &end
#
#   47 SER  HA           48 TYR  HE          5.50    (#    159:26  Unique         4.73, 6.44 A)
 &rst
  ixpk= 159, nxpk= 26, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 733, 738,
 &end
#
#    0 AMB  26-2:160     48 TYR  HE          5.50    (#    160:26  Single Ambig)
 &rst
  ixpk= 160, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 723, 695,
 igr2= 733, 738,
 &end
#
#    0 AMB  26-2:161     48 TYR  HE          5.50    (#    161:26  Single Ambig)
 &rst
  ixpk= 161, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 629, 571,
 igr2= 733, 738,
 &end
#
#   42 THR  HN           48 TYR  HE          5.50    (#    162:26  Unique         3.09, 4.72 A)
 &rst
  ixpk= 162, nxpk= 26, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 733, 738,
 &end
#
#   15 LYS  HE+          69 TRP  HZ2         5.50    (#    164:26  Unique         2.68, 3.55 A)
 &rst
  ixpk= 164, nxpk= 26, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 233, 234,
 &end
#
#   15 LYS  HE-          69 TRP  HZ2         5.50    (#    165:26  Unique         2.68, 3.55 A)
 &rst
  ixpk= 165, nxpk= 26, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 233, 234,
 &end
#
#    0 AMB  15-2:0      117 LEU  HN          3.50    (#      0:15  Single Ambig)
 &rst
  ixpk= 0, nxpk= 15, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1742,1555,
 &end
#
#  117 LEU  HA          117 LEU  HN          5.50    (#      1:15  Unique         2.76, 2.87 A)
 &rst
  ixpk= 1, nxpk= 15, iat=1759,1757, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  116 GLN  HB+         117 LEU  HN          5.50    (#      2:15  Unique         1.95, 3.57 A)
 &rst
  ixpk= 2, nxpk= 15, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1744,1745,
 &end
#
#    0 AMB  15-2:3      117 LEU  HN          4.50    (#      3:15  Single Ambig)
 &rst
  ixpk= 3, nxpk= 15, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1761,1762,1764,
 &end
#
#  116 GLN  QG          117 LEU  HN          5.50    (#      4:15  Unique         2.47, 4.38 A)
 &rst
  ixpk= 4, nxpk= 15, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1747,1748,
 &end
#
#  116 GLN  HB-         117 LEU  HN          5.50    (#      5:15  Unique         1.95, 3.57 A)
 &rst
  ixpk= 5, nxpk= 15, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1744,1745,
 &end
#
#    0 AMB  15-2:6       51 VAL  HN          5.50    (#      6:15  Single Ambig)
 &rst
  ixpk= 6, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 364, 380,
 &end
#
#   50 VAL  HN           51 VAL  HN          5.50    (#      7:15  Unique         4.26, 4.34 A)
 &rst
  ixpk= 7, nxpk= 15, iat= 766, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 VAL  HA           51 VAL  HN          3.50    (#      8:15  Unique         2.20, 2.26 A)
 &rst
  ixpk= 8, nxpk= 15, iat= 768, 782, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 VAL  HA           51 VAL  HN          4.50    (#      9:15  Unique         2.96, 2.97 A)
 &rst
  ixpk= 9, nxpk= 15, iat= 784, 782, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:10      51 VAL  HN          5.50    (#     10:15  Single Ambig)
 &rst
  ixpk= 10, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 368, 805, 806,
 &end
#
#   51 VAL  HB           51 VAL  HN          4.50    (#     11:15  Unique         2.64, 2.84 A)
 &rst
  ixpk= 11, nxpk= 15, iat= 786, 782, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 VAL  MGX          51 VAL  HN          4.50    (#     12:15  Unique         2.30, 4.10 A)
 &rst
  ixpk= 12, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 772, 773, 774, 776, 777, 778,
 &end
#
#    0 AMB  15-2:13      51 VAL  HN          3.50    (#     13:15  Single Ambig)
 &rst
  ixpk= 13, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 772, 773, 774, 776, 777, 778, 788, 789, 790, 792,
       793, 794,
 &end
#
#   25 VAL  MGX          51 VAL  HN          5.50    (#     14:15  Unique         4.25, 5.82 A)
 &rst
  ixpk= 14, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   51 VAL  MGX          51 VAL  HN          4.50    (#     15:15  Unique         2.69, 4.22 A)
 &rst
  ixpk= 15, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#   24 VAL  MGX          51 VAL  HN          5.50    (#     16:15  Unique         4.54, 6.59 A)
 &rst
  ixpk= 16, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   27 SER  HN           51 VAL  HN          5.50    (#     17:15  Unique         3.26, 3.51 A)
 &rst
  ixpk= 17, nxpk= 15, iat= 400, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 PHE  HA           51 VAL  HN          4.50    (#     18:15  Unique         2.83, 2.97 A)
 &rst
  ixpk= 18, nxpk= 15, iat= 382, 782, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 VAL  HB           51 VAL  HN          5.50    (#     19:15  Unique         3.76, 3.90 A)
 &rst
  ixpk= 19, nxpk= 15, iat= 770, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 VAL  HA           79 PHE  HN          5.50    (#     20:15  Unique         3.52, 3.69 A)
 &rst
  ixpk= 20, nxpk= 15, iat= 366,1189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:21      79 PHE  HN          5.50    (#     21:15  Single Ambig)
 &rst
  ixpk= 21, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1209,1159,
 &end
#
#   24 VAL  HN           79 PHE  HN          4.50    (#     22:15  Unique         2.80, 2.86 A)
 &rst
  ixpk= 22, nxpk= 15, iat= 348,1189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 PHE  HD           79 PHE  HN          4.50    (#     23:15  Unique         2.82, 4.21 A)
 &rst
  ixpk= 23, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1197,1205,
 &end
#
#   78 VAL  MGX          79 PHE  HN          4.50    (#     24:15  Unique         2.53, 4.12 A)
 &rst
  ixpk= 24, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1179,1180,1181,1183,1184,1185,
 &end
#
#   24 VAL  MGX          79 PHE  HN          5.50    (#     25:15  Unique         4.85, 5.78 A)
 &rst
  ixpk= 25, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   79 PHE  HE           79 PHE  HN          7.00    (#     26:15  Unique         5.23, 6.24 A)
 &rst
  ixpk= 26, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1199,1203,
 &end
#
#   79 PHE  HA           79 PHE  HN          5.50    (#     27:15  Unique         2.97, 2.97 A)
 &rst
  ixpk= 27, nxpk= 15, iat=1191,1189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PHE  HB+          79 PHE  HN          4.50    (#     29:15  Unique         2.50, 3.11 A)
 &rst
  ixpk= 29, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1193,1194,
 &end
#
#   79 PHE  HB-          79 PHE  HN          5.50    (#     30:15  Unique         2.50, 3.11 A)
 &rst
  ixpk= 30, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#   24 VAL  HB           79 PHE  HN          4.50    (#     31:15  Unique         3.61, 3.74 A)
 &rst
  ixpk= 31, nxpk= 15, iat= 352,1189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:32      79 PHE  HN          5.50    (#     32:15  Single Ambig)
 &rst
  ixpk= 32, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 338, 339, 340, 342, 343, 344,1357,1358,1359,1361,
      1362,1363,1357,1358,1359,1361,1362,1363, 561, 562,
       563, 565, 566, 567,
 &end
#
#   78 VAL  MGY          79 PHE  HN          4.50    (#     33:15  Unique         2.53, 4.12 A)
 &rst
  ixpk= 33, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  15-2:35      69 TRP  HE1         5.50    (#     35:15  Single Ambig)
 &rst
  ixpk= 35, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1054,1035,
 &end
#
#   69 TRP  HB-          69 TRP  HE1         5.50    (#     36:15  Unique         5.00, 5.14 A)
 &rst
  ixpk= 36, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1043,1044,
 &end
#
#   15 LYS  QD           69 TRP  HE1         5.50    (#     37:15  Unique         5.27, 5.76 A)
 &rst
  ixpk= 37, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 230, 231,
 &end
#
#   70 THR  MG2          69 TRP  HE1         5.50    (#     38:15  Unique         4.52, 6.00 A)
 &rst
  ixpk= 38, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1069,1070,1071,
 &end
#
#   15 LYS  HG+          69 TRP  HE1         5.50    (#     39:15  Unique         4.26, 4.87 A)
 &rst
  ixpk= 39, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 227, 228,
 &end
#
#   69 TRP  HZ2          69 TRP  HE1         3.50    (#     40:15  Unique         2.91, 2.92 A)
 &rst
  ixpk= 40, nxpk= 15, iat=1052,1049, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 TRP  HD1          69 TRP  HE1         2.50    (#     41:15  Unique         2.52, 2.52 A)
 &rst
  ixpk= 41, nxpk= 15, iat=1047,1049, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:43      69 TRP  HE1         7.00    (#     43:15  Single Ambig)
 &rst
  ixpk= 43, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1065, 995,
 &end
#
#   15 LYS  HE-          69 TRP  HE1         5.50    (#     44:15  Unique         2.89, 3.43 A)
 &rst
  ixpk= 44, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 233, 234,
 &end
#
#   15 LYS  HE+          69 TRP  HE1         4.50    (#     45:15  Unique         2.89, 3.43 A)
 &rst
  ixpk= 45, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 233, 234,
 &end
#
#    0 AMB  15-2:46      69 TRP  HE1         5.50    (#     46:15  Single Ambig)
 &rst
  ixpk= 46, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 224, 225, 154,
 &end
#
#   11 LEU  MDX          69 TRP  HE1         5.50    (#     47:15  Unique         3.97, 5.87 A)
 &rst
  ixpk= 47, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   11 LEU  MDY          69 TRP  HE1         5.50    (#     48:15  Unique         3.97, 5.87 A)
 &rst
  ixpk= 48, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   34 CYS  HN           33 TYR  HN          4.50    (#     50:15  Unique         2.60, 2.73 A)
 &rst
  ixpk= 50, nxpk= 15, iat= 506, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLY  HN           33 TYR  HN          5.50    (#     51:15  Unique         2.63, 2.80 A)
 &rst
  ixpk= 51, nxpk= 15, iat= 478, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 ASN  HN           33 TYR  HN          5.50    (#     52:15  Unique         4.08, 4.25 A)
 &rst
  ixpk= 52, nxpk= 15, iat= 517, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 TYR  HD           33 TYR  HN          4.50    (#     53:15  Unique         2.20, 3.60 A)
 &rst
  ixpk= 53, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 493, 502,
 &end
#
#   33 TYR  HE           33 TYR  HN          5.50    (#     54:15  Unique         4.45, 5.23 A)
 &rst
  ixpk= 54, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 495, 500,
 &end
#
#   33 TYR  HA           33 TYR  HN          4.50    (#     56:15  Unique         2.84, 2.86 A)
 &rst
  ixpk= 56, nxpk= 15, iat= 487, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLY  QA           33 TYR  HN          4.50    (#     57:15  Unique         2.83, 3.25 A)
 &rst
  ixpk= 57, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 480, 481,
 &end
#
#    0 AMB  15-2:58      33 TYR  HN          5.50    (#     58:15  Single Ambig)
 &rst
  ixpk= 58, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1146,1147, 510, 511,
 &end
#
#   33 TYR  HB+          33 TYR  HN          4.50    (#     59:15  Unique         2.35, 3.01 A)
 &rst
  ixpk= 59, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 489, 490,
 &end
#
#   33 TYR  HB-          33 TYR  HN          4.50    (#     60:15  Unique         2.35, 3.01 A)
 &rst
  ixpk= 60, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 489, 490,
 &end
#
#   35 ASN  HN           34 CYS  HN          5.50    (#     61:15  Unique         2.50, 2.60 A)
 &rst
  ixpk= 61, nxpk= 15, iat= 517, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:62      34 CYS  HN          5.50    (#     62:15  Single Ambig)
 &rst
  ixpk= 62, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 487, 470,
 &end
#
#    0 AMB  15-2:63      34 CYS  HN          4.50    (#     63:15  Single Ambig)
 &rst
  ixpk= 63, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1146,1147, 508,
 &end
#
#    0 AMB  15-2:64      34 CYS  HN          4.50    (#     64:15  Single Ambig)
 &rst
  ixpk= 64, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 510, 511,1146,1147,
 &end
#
#   33 TYR  HB-          34 CYS  HN          4.50    (#     65:15  Unique         2.72, 3.33 A)
 &rst
  ixpk= 65, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 489, 490,
 &end
#
#   33 TYR  HN           34 CYS  HN          4.50    (#     66:15  Unique         2.60, 2.73 A)
 &rst
  ixpk= 66, nxpk= 15, iat= 485, 506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 TYR  HB+          34 CYS  HN          5.50    (#     68:15  Unique         2.72, 3.33 A)
 &rst
  ixpk= 68, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 489, 490,
 &end
#
#   81 GLY  HN           24 VAL  HN          5.50    (#     69:15  Unique         5.40, 5.49 A)
 &rst
  ixpk= 69, nxpk= 15, iat=1228, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:70      24 VAL  HN          5.50    (#     70:15  Single Ambig)
 &rst
  ixpk= 70, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 744,1209,
 &end
#
#   23 VAL  HA           24 VAL  HN          3.50    (#     71:15  Unique         2.25, 2.27 A)
 &rst
  ixpk= 71, nxpk= 15, iat= 334, 348, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 PHE  HB+          24 VAL  HN          5.50    (#     73:15  Unique         3.00, 3.62 A)
 &rst
  ixpk= 73, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#   23 VAL  HB           24 VAL  HN          5.50    (#     74:15  Unique         3.97, 4.07 A)
 &rst
  ixpk= 74, nxpk= 15, iat= 336, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ALA  MB           24 VAL  HN          5.50    (#     75:15  Unique         5.23, 6.16 A)
 &rst
  ixpk= 75, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 312, 313, 314,
 &end
#
#    0 AMB  15-2:76      24 VAL  HN          4.50    (#     76:15  Single Ambig)
 &rst
  ixpk= 76, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   23 VAL  MGY          24 VAL  HN          4.50    (#     77:15  Unique         2.78, 4.22 A)
 &rst
  ixpk= 77, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   24 VAL  MGX          24 VAL  HN          5.50    (#     78:15  Unique         3.01, 4.32 A)
 &rst
  ixpk= 78, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   79 PHE  HN           24 VAL  HN          5.50    (#     79:15  Unique         2.80, 2.86 A)
 &rst
  ixpk= 79, nxpk= 15, iat=1189, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 VAL  HN           24 VAL  HN          5.50    (#     80:15  Unique         4.21, 4.23 A)
 &rst
  ixpk= 80, nxpk= 15, iat= 332, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:81      24 VAL  HN          5.50    (#     81:15  Single Ambig)
 &rst
  ixpk= 81, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1191, 725,
 &end
#
#   79 PHE  HB-          24 VAL  HN          5.50    (#     82:15  Unique         3.00, 3.62 A)
 &rst
  ixpk= 82, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#   24 VAL  HB           24 VAL  HN          4.50    (#     83:15  Unique         2.82, 2.87 A)
 &rst
  ixpk= 83, nxpk= 15, iat= 352, 348, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 ILE  HG1-         24 VAL  HN          5.50    (#     84:15  Unique         3.96, 4.34 A)
 &rst
  ixpk= 84, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1219,1220,
 &end
#
#   80 ILE  HG1+         24 VAL  HN          5.50    (#     85:15  Unique         3.96, 4.34 A)
 &rst
  ixpk= 85, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1219,1220,
 &end
#
#   26 PHE  HE           26 PHE  HN          5.50    (#     98:15  Unique         4.44, 5.39 A)
 &rst
  ixpk= 98, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 390, 394,
 &end
#
#   79 PHE  HN           26 PHE  HN          5.50    (#     99:15  Unique         4.44, 4.70 A)
 &rst
  ixpk= 99, nxpk= 15, iat=1189, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 ASN  HN           26 PHE  HN          4.50    (#    100:15  Unique         2.92, 3.10 A)
 &rst
  ixpk= 100, nxpk= 15, iat=1159, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 PHE  HD           26 PHE  HN          4.50    (#    101:15  Unique         2.32, 3.65 A)
 &rst
  ixpk= 101, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 388, 396,
 &end
#
#   26 PHE  HA           26 PHE  HN          4.50    (#    102:15  Unique         2.94, 2.96 A)
 &rst
  ixpk= 102, nxpk= 15, iat= 382, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 VAL  HA           26 PHE  HN          3.50    (#    104:15  Unique         2.18, 2.22 A)
 &rst
  ixpk= 104, nxpk= 15, iat= 366, 380, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 VAL  HB           26 PHE  HN          5.50    (#    105:15  Unique         4.36, 4.89 A)
 &rst
  ixpk= 105, nxpk= 15, iat= 786, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:106     26 PHE  HN          4.50    (#    106:15  Single Ambig)
 &rst
  ixpk= 106, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 354, 355, 356, 358, 359, 360,1179,1180,1181,1183,
      1184,1185, 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  15-2:107     26 PHE  HN          4.50    (#    107:15  Single Ambig)
 &rst
  ixpk= 107, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   25 VAL  MGY          26 PHE  HN          4.50    (#    108:15  Unique         3.14, 4.82 A)
 &rst
  ixpk= 108, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   77 ASN  HB+          26 PHE  HN          5.50    (#    109:15  Unique         3.31, 4.29 A)
 &rst
  ixpk= 109, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1163,1164,
 &end
#
#   26 PHE  HB-          26 PHE  HN          4.50    (#    110:15  Unique         2.38, 3.04 A)
 &rst
  ixpk= 110, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 384, 385,
 &end
#
#   25 VAL  HB           26 PHE  HN          5.50    (#    111:15  Unique         4.19, 4.44 A)
 &rst
  ixpk= 111, nxpk= 15, iat= 368, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:112     26 PHE  HN          5.50    (#    112:15  Single Ambig)
 &rst
  ixpk= 112, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 354, 355, 356, 358, 359, 360,1002,1003,1004,1006,
      1007,1008,
 &end
#
#   79 PHE  HN           78 VAL  HN          5.50    (#    113:15  Unique         4.43, 4.49 A)
 &rst
  ixpk= 113, nxpk= 15, iat=1189,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 ASN  HN           78 VAL  HN          5.50    (#    114:15  Unique         3.97, 4.12 A)
 &rst
  ixpk= 114, nxpk= 15, iat=1159,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 VAL  MGX          78 VAL  HN          3.50    (#    115:15  Unique         2.24, 4.01 A)
 &rst
  ixpk= 115, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  15-2:116     78 VAL  HN          4.50    (#    116:15  Single Ambig)
 &rst
  ixpk= 116, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363, 561, 562, 563, 565, 566, 567,
 &end
#
#   86 GLY  HN           78 VAL  HN          4.50    (#    117:15  Unique         2.99, 3.07 A)
 &rst
  ixpk= 117, nxpk= 15, iat=1300,1173, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 ASN  HA           78 VAL  HN          3.50    (#    118:15  Unique         2.17, 2.22 A)
 &rst
  ixpk= 118, nxpk= 15, iat=1161,1173, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:119     78 VAL  HN          5.50    (#    119:15  Single Ambig)
 &rst
  ixpk= 119, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1302,1303, 366,
 &end
#
#   86 GLY  HA-          78 VAL  HN          5.50    (#    120:15  Unique         4.50, 4.74 A)
 &rst
  ixpk= 120, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1302,1303,
 &end
#
#   77 ASN  HB+          78 VAL  HN          5.50    (#    121:15  Unique         4.15, 4.40 A)
 &rst
  ixpk= 121, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1163,1164,
 &end
#
#   77 ASN  HB-          78 VAL  HN          5.50    (#    122:15  Unique         4.15, 4.40 A)
 &rst
  ixpk= 122, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1163,1164,
 &end
#
#   78 VAL  HB           78 VAL  HN          3.50    (#    123:15  Unique         2.59, 2.69 A)
 &rst
  ixpk= 123, nxpk= 15, iat=1177,1173, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:124     78 VAL  HN          5.50    (#    124:15  Single Ambig)
 &rst
  ixpk= 124, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1271,1272,1285,1152,1153,
 &end
#
#   78 VAL  MGY          78 VAL  HN          4.50    (#    125:15  Unique         2.24, 4.01 A)
 &rst
  ixpk= 125, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  15-2:126     52 GLU  HN          5.50    (#    126:15  Single Ambig)
 &rst
  ixpk= 126, nxpk= 15, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 439, 440, 441, 751, 752,
 &end
#
#    0 AMB  15-2:127     52 GLU  HN          5.50    (#    127:15  Single Ambig)
 &rst
  ixpk= 127, nxpk= 15, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 772, 773, 774, 776, 777, 778, 822, 823, 824, 826,
       827, 828,
 &end
#
#   53 LEU  HN           52 GLU  HN          5.50    (#    128:15  Unique         3.84, 4.06 A)
 &rst
  ixpk= 128, nxpk= 15, iat= 813, 798, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 GLU  HA           52 GLU  HN          4.50    (#    129:15  Unique         2.86, 2.93 A)
 &rst
  ixpk= 129, nxpk= 15, iat= 800, 798, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 VAL  HA           52 GLU  HN          2.50    (#    130:15  Unique         2.19, 2.25 A)
 &rst
  ixpk= 130, nxpk= 15, iat= 784, 798, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:131     52 GLU  HN          3.50    (#    131:15  Single Ambig)
 &rst
  ixpk= 131, nxpk= 15, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 802, 803, 805, 806,
 &end
#
#   52 GLU  HB-          52 GLU  HN          4.50    (#    132:15  Unique         2.27, 3.04 A)
 &rst
  ixpk= 132, nxpk= 15, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 802, 803,
 &end
#
#    0 AMB  15-2:133     52 GLU  HN          3.50    (#    133:15  Single Ambig)
 &rst
  ixpk= 133, nxpk= 15, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 788, 789, 790, 792, 793, 794, 772, 773, 774, 776,
       777, 778, 822, 823, 824, 826, 827, 828,
 &end
#
#   51 VAL  MGX          52 GLU  HN          4.50    (#    134:15  Unique         2.88, 4.91 A)
 &rst
  ixpk= 134, nxpk= 15, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#   27 SER  HN           53 LEU  HN          5.50    (#    135:15  Unique         2.84, 2.99 A)
 &rst
  ixpk= 135, nxpk= 15, iat= 400, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:136     53 LEU  HN          5.50    (#    136:15  Single Ambig)
 &rst
  ixpk= 136, nxpk= 15, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 798, 782,
 &end
#
#   52 GLU  HA           53 LEU  HN          4.50    (#    137:15  Unique         2.11, 2.20 A)
 &rst
  ixpk= 137, nxpk= 15, iat= 800, 813, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  HA           53 LEU  HN          4.50    (#    138:15  Unique         2.73, 2.77 A)
 &rst
  ixpk= 138, nxpk= 15, iat= 815, 813, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  HG           53 LEU  HN          4.50    (#    139:15  Unique         2.20, 3.09 A)
 &rst
  ixpk= 139, nxpk= 15, iat= 820, 813, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:140     53 LEU  HN          5.50    (#    140:15  Single Ambig)
 &rst
  ixpk= 140, nxpk= 15, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 802, 803, 805, 806, 851, 852,
 &end
#
#   29 THR  MG2          53 LEU  HN          5.50    (#    141:15  Unique         5.10, 6.42 A)
 &rst
  ixpk= 141, nxpk= 15, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 439, 440, 441,
 &end
#
#   53 LEU  MDX          53 LEU  HN          4.50    (#    142:15  Unique         2.19, 4.07 A)
 &rst
  ixpk= 142, nxpk= 15, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   53 LEU  MDY          53 LEU  HN          4.50    (#    143:15  Unique         2.19, 4.07 A)
 &rst
  ixpk= 143, nxpk= 15, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   54 ASP  HN           53 LEU  HN          5.50    (#    144:15  Unique         2.78, 2.98 A)
 &rst
  ixpk= 144, nxpk= 15, iat= 832, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 LYS  HA           53 LEU  HN          5.50    (#    145:15  Unique         2.88, 3.13 A)
 &rst
  ixpk= 145, nxpk= 15, iat= 413, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:146     53 LEU  HN          4.50    (#    146:15  Single Ambig)
 &rst
  ixpk= 146, nxpk= 15, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 817, 818, 421, 422,
 &end
#
#    0 AMB  15-2:147     25 VAL  HN          5.50    (#    147:15  Single Ambig)
 &rst
  ixpk= 147, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 382, 334,
 &end
#
#   49 LYS  HB-          25 VAL  HN          5.50    (#    148:15  Unique         3.45, 4.89 A)
 &rst
  ixpk= 148, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 748, 749,
 &end
#
#   51 VAL  HN           25 VAL  HN          5.50    (#    149:15  Unique         3.75, 3.89 A)
 &rst
  ixpk= 149, nxpk= 15, iat= 782, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 VAL  HA           25 VAL  HN          4.50    (#    151:15  Unique         2.98, 2.98 A)
 &rst
  ixpk= 151, nxpk= 15, iat= 366, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 VAL  HB           25 VAL  HN          5.50    (#    152:15  Unique         4.05, 4.09 A)
 &rst
  ixpk= 152, nxpk= 15, iat= 352, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:153     25 VAL  HN          5.50    (#    153:15  Single Ambig)
 &rst
  ixpk= 153, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 751, 752, 312, 313, 314,
 &end
#
#    0 AMB  15-2:154     25 VAL  HN          4.50    (#    154:15  Single Ambig)
 &rst
  ixpk= 154, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 354, 355, 356, 358, 359, 360, 788, 789, 790, 792,
       793, 794, 772, 773, 774, 776, 777, 778,
 &end
#
#   51 VAL  MGX          25 VAL  HN          5.50    (#    155:15  Unique         3.40, 6.16 A)
 &rst
  ixpk= 155, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#   49 LYS  HN           25 VAL  HN          5.50    (#    156:15  Unique         3.87, 3.94 A)
 &rst
  ixpk= 156, nxpk= 15, iat= 744, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:157     25 VAL  HN          5.50    (#    157:15  Single Ambig)
 &rst
  ixpk= 157, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 731, 740, 733, 738,
 &end
#
#   25 VAL  HB           25 VAL  HN          4.50    (#    158:15  Unique         2.51, 2.67 A)
 &rst
  ixpk= 158, nxpk= 15, iat= 368, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:159     25 VAL  HN          5.50    (#    159:15  Single Ambig)
 &rst
  ixpk= 159, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 748, 749, 786,
 &end
#
#   50 VAL  MGX          25 VAL  HN          4.50    (#    160:15  Unique         3.78, 5.20 A)
 &rst
  ixpk= 160, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 772, 773, 774, 776, 777, 778,
 &end
#
#   25 VAL  MGX          25 VAL  HN          4.50    (#    161:15  Unique         2.57, 4.08 A)
 &rst
  ixpk= 161, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   25 VAL  MGY          25 VAL  HN          4.50    (#    162:15  Unique         2.57, 4.08 A)
 &rst
  ixpk= 162, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   24 VAL  MGX          25 VAL  HN          3.50    (#    163:15  Unique         2.81, 4.22 A)
 &rst
  ixpk= 163, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   78 VAL  HB           85 ILE  HN          5.50    (#    164:15  Unique         3.93, 4.14 A)
 &rst
  ixpk= 164, nxpk= 15, iat=1177,1281, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 VAL  MGX          85 ILE  HN          5.50    (#    165:15  Unique         4.58, 6.06 A)
 &rst
  ixpk= 165, nxpk= 15, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  15-2:166     85 ILE  HN          4.50    (#    166:15  Single Ambig)
 &rst
  ixpk= 166, nxpk= 15, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1209,1264,
 &end
#
#   86 GLY  HN           85 ILE  HN          4.50    (#    167:15  Unique         2.08, 2.19 A)
 &rst
  ixpk= 167, nxpk= 15, iat=1300,1281, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 PHE  HA           85 ILE  HN          4.50    (#    168:15  Unique         2.60, 2.73 A)
 &rst
  ixpk= 168, nxpk= 15, iat=1191,1281, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   85 ILE  HA           85 ILE  HN          4.50    (#    169:15  Unique         2.99, 2.99 A)
 &rst
  ixpk= 169, nxpk= 15, iat=1283,1281, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84 GLN  HA           85 ILE  HN          4.50    (#    170:15  Unique         2.22, 2.25 A)
 &rst
  ixpk= 170, nxpk= 15, iat=1266,1281, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:171     85 ILE  HN          3.50    (#    171:15  Single Ambig)
 &rst
  ixpk= 171, nxpk= 15, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1271,1272,1285,1291,1292,
 &end
#
#   84 GLN  HG+          85 ILE  HN          5.50    (#    172:15  Unique         2.19, 3.76 A)
 &rst
  ixpk= 172, nxpk= 15, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1271,1272,
 &end
#
#   84 GLN  HB-          85 ILE  HN          5.50    (#    173:15  Unique         3.11, 4.15 A)
 &rst
  ixpk= 173, nxpk= 15, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1268,1269,
 &end
#
#   85 ILE  HG1+         85 ILE  HN          5.50    (#    174:15  Unique         2.66, 3.45 A)
 &rst
  ixpk= 174, nxpk= 15, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1291,1292,
 &end
#
#    0 AMB  15-2:175     85 ILE  HN          5.50    (#    175:15  Single Ambig)
 &rst
  ixpk= 175, nxpk= 15, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,
 &end
#
#    0 AMB  15-2:176     85 ILE  HN          4.50    (#    176:15  Single Ambig)
 &rst
  ixpk= 176, nxpk= 15, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1294,1295,1296,1287,1288,1289,
 &end
#
#   66 LEU  HN            0 AMB  15-1:178    3.50    (#    178:15  Single Ambig)
 &rst
  ixpk= 178, nxpk= 15, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 983,1012,
 &end
#
#    0 AMB  15-2:179     65 ALA  HN          5.50    (#    179:15  Single Ambig)
 &rst
  ixpk= 179, nxpk= 15, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 955, 936,
 &end
#
#   68 HIS  HN           67 ALA  HN          4.50    (#    180:15  Unique         2.75, 2.82 A)
 &rst
  ixpk= 180, nxpk= 15, iat=1022,1012, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 SER  HN           65 ALA  HN          3.50    (#    181:15  Unique         2.75, 2.80 A)
 &rst
  ixpk= 181, nxpk= 15, iat= 972, 983, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:182     67 ALA  HN          5.50    (#    182:15  Single Ambig)
 &rst
  ixpk= 182, nxpk= 15, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1077,1084,1168,1169,
 &end
#
#   63 GLN  HE2+         67 ALA  HN          5.50    (#    183:15  Unique         2.86, 5.07 A)
 &rst
  ixpk= 183, nxpk= 15, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 967, 968,
 &end
#
#   64 SER  HA            0 AMB  15-1:184    3.50    (#    184:15  Single Ambig)
 &rst
  ixpk= 184, nxpk= 15, iat= 974,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1012, 983,
 &end
#
#    0 AMB  15-2:185      0 AMB  15-1:185    3.50    (#    185:15  Double Ambig)
 &rst
  ixpk= 185, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 985,1110,1111,
 igr2= 983,1012,
 &end
#
#    0 AMB  15-2:186     65 ALA  HN          3.50    (#    186:15  Single Ambig)
 &rst
  ixpk= 186, nxpk= 15, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 976, 977, 938,
 &end
#
#   67 ALA  HA           67 ALA  HN          3.50    (#    187:15  Unique         2.79, 2.83 A)
 &rst
  ixpk= 187, nxpk= 15, iat=1014,1012, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:188      0 AMB  15-1:188    4.50    (#    188:15  Double Ambig)
 &rst
  ixpk= 188, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1026,1027,1026,1027,1026,1027,1043,1044,
 igr2=1012, 983,
 &end
#
#    0 AMB  15-2:189      0 AMB  15-1:189    4.50    (#    189:15  Double Ambig)
 &rst
  ixpk= 189, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 923, 924, 959, 960, 959, 960,
 igr2= 983,1012,
 &end
#
#   66 LEU  HB+          67 ALA  HN          4.50    (#    190:15  Unique         2.60, 3.06 A)
 &rst
  ixpk= 190, nxpk= 15, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 997, 998,
 &end
#
#    0 AMB  15-2:191      0 AMB  15-1:191    2.50    (#    191:15  Double Ambig)
 &rst
  ixpk= 191, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1016,1017,1018, 987, 988, 989,
 igr2=1012, 983,
 &end
#
#   66 LEU  HB-          67 ALA  HN          4.50    (#    192:15  Unique         2.60, 3.06 A)
 &rst
  ixpk= 192, nxpk= 15, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 997, 998,
 &end
#
#   53 LEU  MDX           0 AMB  15-1:193    5.50    (#    193:15  Single Ambig)
 &rst
  ixpk= 193, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2= 983,1012,
 &end
#
#    0 AMB  15-2:194      0 AMB  15-1:194    5.50    (#    194:15  Double Ambig)
 &rst
  ixpk= 194, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 945, 946, 947, 949, 950, 951, 822, 823, 824, 826,
       827, 828,
 igr2= 983,1012,
 &end
#
#   66 LEU  MDX          67 ALA  HN          4.50    (#    195:15  Unique         3.19, 5.60 A)
 &rst
  ixpk= 195, nxpk= 15, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   66 LEU  MDY          67 ALA  HN          4.50    (#    196:15  Unique         3.19, 5.60 A)
 &rst
  ixpk= 196, nxpk= 15, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  15-2:198      0 AMB  15-1:198    5.50    (#    198:15  Double Ambig)
 &rst
  ixpk= 198, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 962, 963, 926, 927,
 igr2=1012, 983,
 &end
#
#    0 AMB  15-2:199     65 ALA  HN          5.50    (#    199:15  Single Ambig)
 &rst
  ixpk= 199, nxpk= 15, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 151, 152, 100, 101,
 &end
#
#    7 LEU  MDX          65 ALA  HN          4.50    (#    200:15  Unique         3.02, 5.23 A)
 &rst
  ixpk= 200, nxpk= 15, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#   49 LYS  HE-          50 VAL  HN          5.50    (#    201:15  Unique         4.43, 5.16 A)
 &rst
  ixpk= 201, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 757, 758,
 &end
#
#   51 VAL  MGX          50 VAL  HN          5.50    (#    202:15  Unique         3.95, 6.02 A)
 &rst
  ixpk= 202, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  15-2:203     50 VAL  HN          5.50    (#    203:15  Single Ambig)
 &rst
  ixpk= 203, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 731, 740, 733, 738,
 &end
#
#   50 VAL  HA           50 VAL  HN          4.50    (#    204:15  Unique         2.92, 2.96 A)
 &rst
  ixpk= 204, nxpk= 15, iat= 768, 766, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 LYS  HA           50 VAL  HN          2.50    (#    205:15  Unique         2.29, 2.35 A)
 &rst
  ixpk= 205, nxpk= 15, iat= 746, 766, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   50 VAL  HB           50 VAL  HN          3.50    (#    206:15  Unique         2.67, 2.97 A)
 &rst
  ixpk= 206, nxpk= 15, iat= 770, 766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  HB+          50 VAL  HN          4.50    (#    207:15  Unique         3.61, 3.96 A)
 &rst
  ixpk= 207, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 748, 749,
 &end
#
#   49 LYS  HB-          50 VAL  HN          4.50    (#    208:15  Unique         3.61, 3.96 A)
 &rst
  ixpk= 208, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 748, 749,
 &end
#
#   49 LYS  QD           50 VAL  HN          5.50    (#    209:15  Unique         2.71, 4.65 A)
 &rst
  ixpk= 209, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 754, 755,
 &end
#
#   49 LYS  HG-          50 VAL  HN          4.50    (#    210:15  Unique         2.15, 2.72 A)
 &rst
  ixpk= 210, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 751, 752,
 &end
#
#   50 VAL  MGX          50 VAL  HN          3.50    (#    211:15  Unique         2.49, 4.13 A)
 &rst
  ixpk= 211, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 772, 773, 774, 776, 777, 778,
 &end
#
#   50 VAL  MGY          50 VAL  HN          4.50    (#    212:15  Unique         2.49, 4.13 A)
 &rst
  ixpk= 212, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 772, 773, 774, 776, 777, 778,
 &end
#
#   25 VAL  HN           50 VAL  HN          5.50    (#    213:15  Unique         4.45, 4.54 A)
 &rst
  ixpk= 213, nxpk= 15, iat= 364, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:214     50 VAL  HN          5.50    (#    214:15  Single Ambig)
 &rst
  ixpk= 214, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 782, 798,
 &end
#
#  112 LYS  HN          111 ALA  HN          4.50    (#    216:15  Unique         2.13, 2.95 A)
 &rst
  ixpk= 216, nxpk= 15, iat=1680,1670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 THR  HN          111 ALA  HN          4.50    (#    219:15  Unique         2.32, 3.57 A)
 &rst
  ixpk= 219, nxpk= 15, iat=1656,1670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 THR  HA          111 ALA  HN          3.50    (#    222:15  Unique         2.19, 2.77 A)
 &rst
  ixpk= 222, nxpk= 15, iat=1658,1670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:223    111 ALA  HN          3.50    (#    223:15  Single Ambig)
 &rst
  ixpk= 223, nxpk= 15, iat=  -1,1670, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1660,1672,
 &end
#
#    0 AMB  15-2:224    111 ALA  HN          3.50    (#    224:15  Single Ambig)
 &rst
  ixpk= 224, nxpk= 15, iat=  -1,1670, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1674,1675,1676,1687,1688,
 &end
#
#  110 THR  MG2         111 ALA  HN          4.50    (#    225:15  Unique         3.32, 4.86 A)
 &rst
  ixpk= 225, nxpk= 15, iat=  -1,1670, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1662,1663,1664,
 &end
#
#    0 AMB  15-2:226    111 ALA  HN          5.50    (#    226:15  Single Ambig)
 &rst
  ixpk= 226, nxpk= 15, iat=  -1,1670, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1640,1641,1642,1650,1651,1652,
 &end
#
#   85 ILE  HN           84 GLN  HN          5.50    (#    228:15  Unique         4.61, 4.63 A)
 &rst
  ixpk= 228, nxpk= 15, iat=1281,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:229     84 GLN  HN          7.00    (#    229:15  Single Ambig)
 &rst
  ixpk= 229, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1276,1277,1300,
 &end
#
#   85 ILE  MD1          84 GLN  HN          5.50    (#    230:15  Unique         4.68, 5.80 A)
 &rst
  ixpk= 230, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1294,1295,1296,
 &end
#
#   83 LYS  HN           84 GLN  HN          5.50    (#    231:15  Unique         4.36, 4.42 A)
 &rst
  ixpk= 231, nxpk= 15, iat=1242,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PHE  HD           84 GLN  HN          5.50    (#    232:15  Unique         3.32, 4.83 A)
 &rst
  ixpk= 232, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1197,1205,
 &end
#
#   79 PHE  HE           84 GLN  HN          5.50    (#    233:15  Unique         3.31, 4.82 A)
 &rst
  ixpk= 233, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1199,1203,
 &end
#
#   79 PHE  HA           84 GLN  HN          5.50    (#    234:15  Unique         4.53, 4.63 A)
 &rst
  ixpk= 234, nxpk= 15, iat=1191,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83 LYS  HA           84 GLN  HN          2.50    (#    235:15  Unique         2.21, 2.26 A)
 &rst
  ixpk= 235, nxpk= 15, iat=1244,1264, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   84 GLN  HA           84 GLN  HN          4.50    (#    236:15  Unique         2.85, 2.87 A)
 &rst
  ixpk= 236, nxpk= 15, iat=1266,1264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83 LYS  QB           84 GLN  HN          4.50    (#    237:15  Unique         2.61, 3.96 A)
 &rst
  ixpk= 237, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1246,1247,
 &end
#
#   84 GLN  HB+          84 GLN  HN          3.50    (#    238:15  Unique         2.19, 2.51 A)
 &rst
  ixpk= 238, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1268,1269,
 &end
#
#   83 LYS  QG           84 GLN  HN          4.50    (#    239:15  Unique         2.58, 3.37 A)
 &rst
  ixpk= 239, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1249,1250,
 &end
#
#   84 GLN  HB-          84 GLN  HN          3.50    (#    240:15  Unique         2.19, 2.51 A)
 &rst
  ixpk= 240, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1268,1269,
 &end
#
#   70 THR  MG2          84 GLN  HN          5.50    (#    241:15  Unique         4.69, 6.28 A)
 &rst
  ixpk= 241, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1069,1070,1071,
 &end
#
#   42 THR  HN           43 GLN  HN          3.50    (#    243:15  Unique         2.71, 2.80 A)
 &rst
  ixpk= 243, nxpk= 15, iat= 648, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 LEU  HN           43 GLN  HN          5.50    (#    244:15  Unique         4.06, 4.19 A)
 &rst
  ixpk= 244, nxpk= 15, iat= 629, 662, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 VAL  HN           43 GLN  HN          3.50    (#    245:15  Unique         2.76, 2.82 A)
 &rst
  ixpk= 245, nxpk= 15, iat= 679, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 TYR  HE           43 GLN  HN          5.50    (#    246:15  Unique         5.45, 7.25 A)
 &rst
  ixpk= 246, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 733, 738,
 &end
#
#   42 THR  HB           43 GLN  HN          3.50    (#    247:15  Unique         2.47, 2.69 A)
 &rst
  ixpk= 247, nxpk= 15, iat= 652, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:248     43 GLN  HN          3.50    (#    248:15  Single Ambig)
 &rst
  ixpk= 248, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 664, 612,
 &end
#
#   43 GLN  QB           43 GLN  HN          2.50    (#    249:15  Unique         2.31, 2.97 A)
 &rst
  ixpk= 249, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 666, 667,
 &end
#
#   39 GLN  QB           43 GLN  HN          5.50    (#    250:15  Unique         4.69, 5.27 A)
 &rst
  ixpk= 250, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 597, 598,
 &end
#
#    0 AMB  15-2:251     43 GLN  HN          5.50    (#    251:15  Single Ambig)
 &rst
  ixpk= 251, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 614, 615, 636,
 &end
#
#    0 AMB  15-2:252     43 GLN  HN          4.50    (#    252:15  Single Ambig)
 &rst
  ixpk= 252, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 654, 655, 656, 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  15-2:253     43 GLN  HN          4.50    (#    253:15  Single Ambig)
 &rst
  ixpk= 253, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 685, 686, 687, 689, 690, 691, 685, 686, 687, 689,
       690, 691, 633, 634,
 &end
#
#   40 LEU  MDX          43 GLN  HN          5.50    (#    254:15  Unique         5.25, 7.06 A)
 &rst
  ixpk= 254, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   41 LEU  HA           43 GLN  HN          5.50    (#    256:15  Unique         4.13, 4.37 A)
 &rst
  ixpk= 256, nxpk= 15, iat= 631, 662, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 GLN  HG-          43 GLN  HN          4.50    (#    257:15  Unique         2.52, 3.21 A)
 &rst
  ixpk= 257, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 669, 670,
 &end
#
#   61 GLN  HE2+         61 GLN  HN          5.50    (#    263:15  Unique         3.97, 5.04 A)
 &rst
  ixpk= 263, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 931, 932,
 &end
#
#   60 SER  HN           61 GLN  HN          4.50    (#    264:15  Unique         2.78, 2.93 A)
 &rst
  ixpk= 264, nxpk= 15, iat= 908, 919, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 LEU  HN           61 GLN  HN          3.50    (#    265:15  Unique         2.39, 2.45 A)
 &rst
  ixpk= 265, nxpk= 15, iat= 936, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:266     61 GLN  HN          5.50    (#    266:15  Single Ambig)
 &rst
  ixpk= 266, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 901, 972,
 &end
#
#   60 SER  QB           61 GLN  HN          4.50    (#    268:15  Unique         2.48, 3.29 A)
 &rst
  ixpk= 268, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 912, 913,
 &end
#
#   61 GLN  HA           61 GLN  HN          3.50    (#    269:15  Unique         2.88, 2.93 A)
 &rst
  ixpk= 269, nxpk= 15, iat= 921, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:270     61 GLN  HN          3.50    (#    270:15  Single Ambig)
 &rst
  ixpk= 270, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 910, 976, 977,
 &end
#
#   58 ASP  HB-          61 GLN  HN          5.50    (#    271:15  Unique         3.63, 5.14 A)
 &rst
  ixpk= 271, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 893, 894,
 &end
#
#   61 GLN  HG-          61 GLN  HN          4.50    (#    272:15  Unique         2.08, 2.94 A)
 &rst
  ixpk= 272, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 926, 927,
 &end
#
#   61 GLN  HG+          61 GLN  HN          4.50    (#    273:15  Unique         2.08, 2.94 A)
 &rst
  ixpk= 273, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 926, 927,
 &end
#
#   61 GLN  HB+          61 GLN  HN          3.50    (#    274:15  Unique         2.02, 3.09 A)
 &rst
  ixpk= 274, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 923, 924,
 &end
#
#   62 LEU  HB+          61 GLN  HN          5.50    (#    275:15  Unique         4.28, 4.83 A)
 &rst
  ixpk= 275, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 940, 941,
 &end
#
#   62 LEU  MDX          61 GLN  HN          5.50    (#    276:15  Unique         4.06, 6.96 A)
 &rst
  ixpk= 276, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 945, 946, 947, 949, 950, 951,
 &end
#
#   10 ALA  MB           61 GLN  HN          5.50    (#    277:15  Unique         5.28, 5.91 A)
 &rst
  ixpk= 277, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 141, 142, 143,
 &end
#
#   62 LEU  MDY          61 GLN  HN          5.50    (#    278:15  Unique         4.06, 6.96 A)
 &rst
  ixpk= 278, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 945, 946, 947, 949, 950, 951,
 &end
#
#   58 ASP  HA           61 GLN  HN          5.50    (#    279:15  Unique         3.43, 4.01 A)
 &rst
  ixpk= 279, nxpk= 15, iat= 891, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 LEU  HB-          61 GLN  HN          5.50    (#    280:15  Unique         4.28, 4.83 A)
 &rst
  ixpk= 280, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 940, 941,
 &end
#
#    0 AMB  15-2:281      4 LYS  HN          5.50    (#    281:15  Single Ambig)
 &rst
  ixpk= 281, nxpk= 15, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  52,  53, 100, 101,
 &end
#
#    5 GLN  HN            4 LYS  HN          5.50    (#    282:15  Unique         2.55, 2.83 A)
 &rst
  ixpk= 282, nxpk= 15, iat=  64,  42, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 SER  HA            4 LYS  HN          4.50    (#    284:15  Unique         2.23, 3.03 A)
 &rst
  ixpk= 284, nxpk= 15, iat=  33,  42, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 SER  HB-           4 LYS  HN          4.50    (#    285:15  Unique         2.62, 3.41 A)
 &rst
  ixpk= 285, nxpk= 15, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  35,  36,
 &end
#
#    4 LYS  HA            4 LYS  HN          4.50    (#    286:15  Unique         2.74, 2.83 A)
 &rst
  ixpk= 286, nxpk= 15, iat=  44,  42, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 LYS  HB+           4 LYS  HN          4.50    (#    287:15  Unique         2.34, 2.74 A)
 &rst
  ixpk= 287, nxpk= 15, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  46,  47,
 &end
#
#    4 LYS  HG+           4 LYS  HN          5.50    (#    288:15  Unique         2.12, 3.83 A)
 &rst
  ixpk= 288, nxpk= 15, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  49,  50,
 &end
#
#   25 VAL  HN           49 LYS  HN          5.50    (#    289:15  Unique         3.87, 3.94 A)
 &rst
  ixpk= 289, nxpk= 15, iat= 364, 744, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 TYR  HN           49 LYS  HN          5.50    (#    290:15  Unique         4.32, 4.41 A)
 &rst
  ixpk= 290, nxpk= 15, iat= 723, 744, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 TYR  HD           49 LYS  HN          5.50    (#    291:15  Unique         3.11, 4.48 A)
 &rst
  ixpk= 291, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 731, 740,
 &end
#
#   23 VAL  HB           49 LYS  HN          4.50    (#    292:15  Unique         3.54, 3.63 A)
 &rst
  ixpk= 292, nxpk= 15, iat= 336, 744, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 VAL  MGY          49 LYS  HN          4.50    (#    293:15  Unique         3.85, 5.48 A)
 &rst
  ixpk= 293, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   24 VAL  MGX          49 LYS  HN          5.50    (#    294:15  Unique         3.48, 4.92 A)
 &rst
  ixpk= 294, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   23 VAL  HN           49 LYS  HN          5.50    (#    295:15  Unique         3.69, 3.90 A)
 &rst
  ixpk= 295, nxpk= 15, iat= 332, 744, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 TYR  HA           49 LYS  HN          3.50    (#    296:15  Unique         2.21, 2.33 A)
 &rst
  ixpk= 296, nxpk= 15, iat= 725, 744, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  HA           49 LYS  HN          4.50    (#    298:15  Unique         2.97, 2.99 A)
 &rst
  ixpk= 298, nxpk= 15, iat= 746, 744, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 TYR  HB+          49 LYS  HN          4.50    (#    299:15  Unique         2.33, 3.12 A)
 &rst
  ixpk= 299, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 728,
 &end
#
#   48 TYR  HB-          49 LYS  HN          4.50    (#    300:15  Unique         2.33, 3.12 A)
 &rst
  ixpk= 300, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 728,
 &end
#
#   49 LYS  HB+          49 LYS  HN          4.50    (#    301:15  Unique         2.43, 2.79 A)
 &rst
  ixpk= 301, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 748, 749,
 &end
#
#   49 LYS  HB-          49 LYS  HN          4.50    (#    302:15  Unique         2.43, 2.79 A)
 &rst
  ixpk= 302, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 748, 749,
 &end
#
#   49 LYS  QD           49 LYS  HN          5.50    (#    303:15  Unique         4.63, 5.08 A)
 &rst
  ixpk= 303, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 754, 755,
 &end
#
#    0 AMB  15-2:304     49 LYS  HN          4.50    (#    304:15  Single Ambig)
 &rst
  ixpk= 304, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 312, 313, 314, 751, 752,
 &end
#
#    0 AMB  15-2:305     49 LYS  HN          4.50    (#    305:15  Single Ambig)
 &rst
  ixpk= 305, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 354, 355, 356, 358, 359, 360, 338, 339, 340, 342,
       343, 344, 772, 773, 774, 776, 777, 778,
 &end
#
#   25 VAL  MGY          49 LYS  HN          5.50    (#    306:15  Unique         3.78, 6.31 A)
 &rst
  ixpk= 306, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   34 CYS  HB+          28 LYS  HN          5.50    (#    307:15  Unique         3.00, 3.57 A)
 &rst
  ixpk= 307, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 510, 511,
 &end
#
#   30 TYR  HE           28 LYS  HN          7.00    (#    308:15  Unique         5.72, 7.24 A)
 &rst
  ixpk= 308, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 457, 462,
 &end
#
#   27 SER  HA           28 LYS  HN          4.50    (#    309:15  Unique         2.58, 2.68 A)
 &rst
  ixpk= 309, nxpk= 15, iat= 402, 411, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 SER  HB+          28 LYS  HN          5.50    (#    311:15  Unique         1.96, 2.75 A)
 &rst
  ixpk= 311, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 404, 405,
 &end
#
#   28 LYS  HB-          28 LYS  HN          5.50    (#    312:15  Unique         2.60, 3.27 A)
 &rst
  ixpk= 312, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 415, 416,
 &end
#
#    0 AMB  15-2:313     28 LYS  HN          4.50    (#    313:15  Single Ambig)
 &rst
  ixpk= 313, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1135,1136,1137,1139,1140,1141, 822, 823, 824, 826,
       827, 828,
 &end
#
#   27 SER  HB-          28 LYS  HN          5.50    (#    314:15  Unique         1.96, 2.75 A)
 &rst
  ixpk= 314, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 404, 405,
 &end
#
#   31 CYS  HB+          28 LYS  HN          5.50    (#    315:15  Unique         2.52, 4.45 A)
 &rst
  ixpk= 315, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 473, 472,
 &end
#
#  102 PRO  HD+         100 LEU  HN          5.50    (#    316:15  Unique         3.55, 4.38 A)
 &rst
  ixpk= 316, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1546,1547,
 &end
#
#  102 PRO  HD-         100 LEU  HN          5.50    (#    317:15  Unique         3.55, 4.38 A)
 &rst
  ixpk= 317, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1546,1547,
 &end
#
#   98 ASN  HB+         100 LEU  HN          5.50    (#    318:15  Unique         5.24, 5.95 A)
 &rst
  ixpk= 318, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1482,1483,
 &end
#
#   94 LYS  HB+         100 LEU  HN          5.50    (#    319:15  Unique         2.76, 3.42 A)
 &rst
  ixpk= 319, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1402,1403,
 &end
#
#    0 AMB  15-2:320    100 LEU  HN          4.50    (#    320:15  Single Ambig)
 &rst
  ixpk= 320, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1514,1563,1564,
 &end
#
#  101 LEU  HN          100 LEU  HN          4.50    (#    321:15  Unique         2.56, 2.66 A)
 &rst
  ixpk= 321, nxpk= 15, iat=1526,1507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   99 GLU  HN          100 LEU  HN          3.50    (#    322:15  Unique         1.89, 1.99 A)
 &rst
  ixpk= 322, nxpk= 15, iat=1492,1507, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   95 HIS  HA          100 LEU  HN          4.50    (#    323:15  Unique         2.77, 2.93 A)
 &rst
  ixpk= 323, nxpk= 15, iat=1422,1507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98 ASN  HA          100 LEU  HN          5.50    (#    324:15  Unique         3.33, 3.59 A)
 &rst
  ixpk= 324, nxpk= 15, iat=1480,1507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100 LEU  HA          100 LEU  HN          5.50    (#    325:15  Unique         2.83, 2.87 A)
 &rst
  ixpk= 325, nxpk= 15, iat=1509,1507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100 LEU  HB+         100 LEU  HN          4.50    (#    326:15  Unique         2.24, 2.53 A)
 &rst
  ixpk= 326, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1511,1512,
 &end
#
#    0 AMB  15-2:327    100 LEU  HN          4.50    (#    327:15  Single Ambig)
 &rst
  ixpk= 327, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1461,1462,1530,1531,1552,1553,1533,
 &end
#
#  100 LEU  HB-         100 LEU  HN          4.50    (#    328:15  Unique         2.24, 2.53 A)
 &rst
  ixpk= 328, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1511,1512,
 &end
#
#    0 AMB  15-2:329    100 LEU  HN          4.50    (#    329:15  Single Ambig)
 &rst
  ixpk= 329, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
      1521,1522,
 &end
#
#   98 ASN  HN          100 LEU  HN          5.50    (#    330:15  Unique         4.02, 4.11 A)
 &rst
  ixpk= 330, nxpk= 15, iat=1478,1507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:331     21 ALA  HN          5.50    (#    331:15  Single Ambig)
 &rst
  ixpk= 331, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 744, 276,
 &end
#
#    0 AMB  15-2:332     21 ALA  HN          5.50    (#    332:15  Single Ambig)
 &rst
  ixpk= 332, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 278,1237,1238,
 &end
#
#   24 VAL  HB           21 ALA  HN          5.50    (#    333:15  Unique         5.20, 5.46 A)
 &rst
  ixpk= 333, nxpk= 15, iat= 352, 308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 VAL  MGX          21 ALA  HN          5.50    (#    334:15  Unique         2.96, 4.52 A)
 &rst
  ixpk= 334, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   20 SER  HN           21 ALA  HN          3.50    (#    335:15  Unique         2.64, 2.70 A)
 &rst
  ixpk= 335, nxpk= 15, iat= 297, 308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 SER  HN           21 ALA  HN          5.50    (#    336:15  Unique         4.15, 4.40 A)
 &rst
  ixpk= 336, nxpk= 15, iat= 286, 308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:338     21 ALA  HN          3.50    (#    338:15  Single Ambig)
 &rst
  ixpk= 338, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 310, 288,
 &end
#
#   20 SER  HA           21 ALA  HN          4.50    (#    339:15  Unique         3.42, 3.45 A)
 &rst
  ixpk= 339, nxpk= 15, iat= 299, 308, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 SER  HB-          21 ALA  HN          5.50    (#    340:15  Unique         3.32, 3.89 A)
 &rst
  ixpk= 340, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 301, 302,
 &end
#
#    0 AMB  15-2:341     21 ALA  HN          4.50    (#    341:15  Single Ambig)
 &rst
  ixpk= 341, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 319, 320, 319, 320,
 &end
#
#    0 AMB  15-2:342     21 ALA  HN          7.00    (#    342:15  Single Ambig)
 &rst
  ixpk= 342, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 322, 323, 336,
 &end
#
#   49 LYS  HB+          21 ALA  HN          5.50    (#    343:15  Unique         4.40, 4.83 A)
 &rst
  ixpk= 343, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 748, 749,
 &end
#
#   49 LYS  QD           21 ALA  HN          5.50    (#    344:15  Unique         4.03, 4.71 A)
 &rst
  ixpk= 344, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 754, 755,
 &end
#
#   21 ALA  MB           21 ALA  HN          3.50    (#    345:15  Unique         2.77, 3.40 A)
 &rst
  ixpk= 345, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 312, 313, 314,
 &end
#
#   24 VAL  MGY          21 ALA  HN          3.50    (#    346:15  Unique         2.96, 4.52 A)
 &rst
  ixpk= 346, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#  113 ASN  HA          115 ALA  HN          5.50    (#    347:15  Unique         3.12, 3.86 A)
 &rst
  ixpk= 347, nxpk= 15, iat=1704,1730, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  114 PRO  HA          115 ALA  HN          3.50    (#    349:15  Unique         2.49, 3.41 A)
 &rst
  ixpk= 349, nxpk= 15, iat=1726,1730, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  115 ALA  HA          115 ALA  HN          4.50    (#    350:15  Unique         2.23, 2.86 A)
 &rst
  ixpk= 350, nxpk= 15, iat=1732,1730, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  114 PRO  HD+         115 ALA  HN          5.50    (#    351:15  Unique         2.56, 3.69 A)
 &rst
  ixpk= 351, nxpk= 15, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1717,1718,
 &end
#
#  114 PRO  HB-         115 ALA  HN          4.50    (#    352:15  Unique         2.92, 4.01 A)
 &rst
  ixpk= 352, nxpk= 15, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1723,1724,
 &end
#
#  114 PRO  HB+         115 ALA  HN          4.50    (#    353:15  Unique         2.92, 4.01 A)
 &rst
  ixpk= 353, nxpk= 15, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1723,1724,
 &end
#
#  115 ALA  MB          115 ALA  HN          3.50    (#    354:15  Unique         2.48, 3.15 A)
 &rst
  ixpk= 354, nxpk= 15, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1734,1735,1736,
 &end
#
#  113 ASN  HB-         115 ALA  HN          5.50    (#    355:15  Unique         2.97, 4.50 A)
 &rst
  ixpk= 355, nxpk= 15, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1706,1707,
 &end
#
#   34 CYS  HB-          28 LYS  HN          5.50    (#    356:15  Unique         3.00, 3.57 A)
 &rst
  ixpk= 356, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 510, 511,
 &end
#
#   75 VAL  HB           28 LYS  HN          5.50    (#    357:15  Unique         3.28, 3.51 A)
 &rst
  ixpk= 357, nxpk= 15, iat=1133, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  102 PRO  HD+         100 LEU  HN          5.50    (#    358:15  Unique         3.55, 4.38 A)
 &rst
  ixpk= 358, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1546,1547,
 &end
#
#   95 HIS  HB+         100 LEU  HN          7.00    (#    359:15  Unique         4.66, 5.25 A)
 &rst
  ixpk= 359, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1424,1425,
 &end
#
#    8 ASP  HA            9 ALA  HN          4.50    (#    360:15  Unique         3.60, 3.61 A)
 &rst
  ixpk= 360, nxpk= 15, iat= 117, 127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:361      0 AMB  15-1:361    3.50    (#    361:15  Double Ambig)
 &rst
  ixpk= 361, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 129,  83,
 igr2= 127, 137,
 &end
#
#    8 ASP  HB+           9 ALA  HN          3.50    (#    362:15  Unique         2.60, 3.36 A)
 &rst
  ixpk= 362, nxpk= 15, iat=  -1, 127, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 119, 120,
 &end
#
#   75 VAL  HB           28 LYS  HN          5.50    (#    363:15  Unique         3.28, 3.51 A)
 &rst
  ixpk= 363, nxpk= 15, iat=1133, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:364      0 AMB  15-1:364    2.50    (#    364:15  Double Ambig)
 &rst
  ixpk= 364, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 131, 132, 133, 418, 419,
 igr2= 127, 137, 411,
 &end
#
#    8 ASP  HN            9 ALA  HN          3.50    (#    365:15  Unique         2.72, 2.76 A)
 &rst
  ixpk= 365, nxpk= 15, iat= 115, 127, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:366      0 AMB  15-1:366    3.50    (#    366:15  Double Ambig)
 &rst
  ixpk= 366, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 473, 472, 119, 120,
 igr2= 411, 127,
 &end
#
#    5 GLN  QG            7 LEU  HN          7.00    (#    367:15  Unique         5.81, 6.57 A)
 &rst
  ixpk= 367, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  71,  72,
 &end
#
#    4 LYS  HB+           7 LEU  HN          5.50    (#    368:15  Unique         5.00, 5.55 A)
 &rst
  ixpk= 368, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  46,  47,
 &end
#
#    8 ASP  HN            7 LEU  HN          3.50    (#    369:15  Unique         2.64, 2.76 A)
 &rst
  ixpk= 369, nxpk= 15, iat= 115,  96, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 GLU  HN            7 LEU  HN          3.50    (#    370:15  Unique         2.44, 2.57 A)
 &rst
  ixpk= 370, nxpk= 15, iat=  81,  96, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 LEU  HA            7 LEU  HN          3.50    (#    371:15  Unique         2.82, 2.84 A)
 &rst
  ixpk= 371, nxpk= 15, iat=  98,  96, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 ASP  HB+           7 LEU  HN          5.50    (#    372:15  Unique         4.70, 5.04 A)
 &rst
  ixpk= 372, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 119, 120,
 &end
#
#    0 AMB  15-2:373      7 LEU  HN          5.50    (#    373:15  Single Ambig)
 &rst
  ixpk= 373, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 119, 120, 926, 927,
 &end
#
#    0 AMB  15-2:374      7 LEU  HN          4.50    (#    374:15  Single Ambig)
 &rst
  ixpk= 374, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  88,  89,  88,  89,
 &end
#
#    6 GLU  HB+           7 LEU  HN          3.50    (#    375:15  Unique         2.57, 3.22 A)
 &rst
  ixpk= 375, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  85,  86,
 &end
#
#    7 LEU  QB            7 LEU  HN          2.50    (#    376:15  Unique         2.33, 2.47 A)
 &rst
  ixpk= 376, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 100, 101,
 &end
#
#    7 LEU  MDX           7 LEU  HN          4.50    (#    377:15  Unique         4.53, 5.14 A)
 &rst
  ixpk= 377, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#   11 LEU  HN           10 ALA  HN          3.50    (#    378:15  Unique         2.73, 2.77 A)
 &rst
  ixpk= 378, nxpk= 15, iat= 147, 137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HN            0 AMB  15-1:379    5.50    (#    379:15  Single Ambig)
 &rst
  ixpk= 379, nxpk= 15, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 137, 127,
 &end
#
#    0 AMB  15-2:380     10 ALA  HN          4.50    (#    380:15  Single Ambig)
 &rst
  ixpk= 380, nxpk= 15, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 931, 932, 166,
 &end
#
#   11 LEU  HA            0 AMB  15-1:381    5.50    (#    381:15  Single Ambig)
 &rst
  ixpk= 381, nxpk= 15, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 137, 127,
 &end
#
#    0 AMB  15-2:382     10 ALA  HN          5.50    (#    382:15  Single Ambig)
 &rst
  ixpk= 382, nxpk= 15, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  88,  89, 923, 924,
 &end
#
#    0 AMB  15-2:383      0 AMB  15-1:383    4.50    (#    383:15  Double Ambig)
 &rst
  ixpk= 383, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  85,  86, 923, 924,  85,  86,
 igr2= 137, 127,
 &end
#
#    0 AMB  15-2:384      0 AMB  15-1:384    4.50    (#    384:15  Double Ambig)
 &rst
  ixpk= 384, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 945, 946, 947, 949, 950, 951, 192, 193, 170, 171,
      
 igr2= 137, 127,
 &end
#
#    0 AMB  15-2:385      0 AMB  15-1:385    4.50    (#    385:15  Double Ambig)
 &rst
  ixpk= 385, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 151, 152, 100, 101,
 igr2= 137, 127,
 &end
#
#   10 ALA  MB           10 ALA  HN          2.50    (#    386:15  Unique         2.39, 2.87 A)
 &rst
  ixpk= 386, nxpk= 15, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 141, 142, 143,
 &end
#
#   62 LEU  MDY          10 ALA  HN          5.50    (#    387:15  Unique         4.94, 6.89 A)
 &rst
  ixpk= 387, nxpk= 15, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  15-2:388     10 ALA  HN          5.50    (#    388:15  Single Ambig)
 &rst
  ixpk= 388, nxpk= 15, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 105, 106, 107, 109, 110, 111, 156, 157, 158, 160,
       161, 162,
 &end
#
#    0 AMB  15-2:389      0 AMB  15-1:389    5.50    (#    389:15  Double Ambig)
 &rst
  ixpk= 389, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 926, 927,  71,  72,
 igr2= 137, 127,
 &end
#
#   26 PHE  HD           77 ASN  HN          5.50    (#    390:15  Unique         4.44, 5.61 A)
 &rst
  ixpk= 390, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 388, 396,
 &end
#
#   26 PHE  HB+          77 ASN  HN          5.50    (#    391:15  Unique         3.02, 3.83 A)
 &rst
  ixpk= 391, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 384, 385,
 &end
#
#   26 PHE  HN           77 ASN  HN          4.50    (#    392:15  Unique         2.92, 3.10 A)
 &rst
  ixpk= 392, nxpk= 15, iat= 380,1159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 PRO  HA           77 ASN  HN          3.50    (#    393:15  Unique         2.30, 2.34 A)
 &rst
  ixpk= 393, nxpk= 15, iat=1155,1159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 VAL  HA           77 ASN  HN          5.50    (#    394:15  Unique         3.88, 4.06 A)
 &rst
  ixpk= 394, nxpk= 15, iat= 366,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 VAL  HA           77 ASN  HN          4.50    (#    395:15  Unique         3.14, 3.32 A)
 &rst
  ixpk= 395, nxpk= 15, iat=1131,1159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 ASN  HB+          77 ASN  HN          4.50    (#    396:15  Unique         2.62, 2.94 A)
 &rst
  ixpk= 396, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1163,1164,
 &end
#
#    0 AMB  15-2:397     77 ASN  HN          4.50    (#    397:15  Single Ambig)
 &rst
  ixpk= 397, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1152,1153, 384, 385,
 &end
#
#   75 VAL  HB           77 ASN  HN          4.50    (#    398:15  Unique         4.11, 4.38 A)
 &rst
  ixpk= 398, nxpk= 15, iat=1133,1159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 PRO  HB-          77 ASN  HN          4.50    (#    399:15  Unique         2.66, 3.20 A)
 &rst
  ixpk= 399, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1152,1153,
 &end
#
#    0 AMB  15-2:400     77 ASN  HN          4.50    (#    400:15  Single Ambig)
 &rst
  ixpk= 400, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   77 ASN  HA           77 ASN  HN          4.50    (#    401:15  Unique         2.97, 2.98 A)
 &rst
  ixpk= 401, nxpk= 15, iat=1161,1159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 ALA  HA           14 ALA  HN          4.50    (#    403:15  Unique         3.81, 3.91 A)
 &rst
  ixpk= 403, nxpk= 15, iat= 139, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:404     14 ALA  HN          5.50    (#    404:15  Single Ambig)
 &rst
  ixpk= 404, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 168, 222,
 &end
#
#    0 AMB  15-2:405     14 ALA  HN          5.50    (#    405:15  Single Ambig)
 &rst
  ixpk= 405, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 246, 247, 249, 250,
 &end
#
#   15 LYS  HG-          14 ALA  HN          5.50    (#    406:15  Unique         4.79, 5.70 A)
 &rst
  ixpk= 406, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 227, 228,
 &end
#
#   11 LEU  HN           14 ALA  HN          5.50    (#    407:15  Unique         4.55, 4.60 A)
 &rst
  ixpk= 407, nxpk= 15, iat= 147, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 LYS  HN           14 ALA  HN          4.50    (#    408:15  Unique         2.79, 2.86 A)
 &rst
  ixpk= 408, nxpk= 15, iat= 220, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HN           14 ALA  HN          3.50    (#    409:15  Unique         2.76, 2.82 A)
 &rst
  ixpk= 409, nxpk= 15, iat= 188, 210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 LYS  HN           14 ALA  HN          5.50    (#    410:15  Unique         4.10, 4.19 A)
 &rst
  ixpk= 410, nxpk= 15, iat= 166, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HA           14 ALA  HN          4.50    (#    411:15  Unique         3.61, 3.62 A)
 &rst
  ixpk= 411, nxpk= 15, iat= 190, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:412     14 ALA  HN          3.50    (#    412:15  Single Ambig)
 &rst
  ixpk= 412, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 212, 149,
 &end
#
#   13 LYS  HB+          14 ALA  HN          4.50    (#    413:15  Unique         2.61, 3.37 A)
 &rst
  ixpk= 413, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 192, 193,
 &end
#
#    0 AMB  15-2:414     14 ALA  HN          4.50    (#    414:15  Single Ambig)
 &rst
  ixpk= 414, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 192, 193, 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  15-2:415     14 ALA  HN          4.50    (#    415:15  Single Ambig)
 &rst
  ixpk= 415, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 198, 199, 151, 152,
 &end
#
#   14 ALA  MB           14 ALA  HN          2.50    (#    416:15  Unique         2.45, 2.91 A)
 &rst
  ixpk= 416, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 214, 215, 216,
 &end
#
#   13 LYS  HG+          14 ALA  HN          4.50    (#    417:15  Unique         3.72, 4.40 A)
 &rst
  ixpk= 417, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 195, 196,
 &end
#
#    0 AMB  15-2:418     14 ALA  HN          3.50    (#    418:15  Single Ambig)
 &rst
  ixpk= 418, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 945, 946, 947, 949, 950, 951, 266, 267, 268, 270,
       271, 272,
 &end
#
#  110 THR  MG2          46 ALA  HN          5.50    (#    420:15  Unique         3.30, 4.49 A)
 &rst
  ixpk= 420, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1662,1663,1664,
 &end
#
#   41 LEU  MDX          46 ALA  HN          5.50    (#    421:15  Unique         4.69, 6.38 A)
 &rst
  ixpk= 421, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   47 SER  HN           46 ALA  HN          4.50    (#    422:15  Unique         4.53, 4.57 A)
 &rst
  ixpk= 422, nxpk= 15, iat= 712, 702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 GLY  HN           46 ALA  HN          3.50    (#    423:15  Unique         2.30, 2.56 A)
 &rst
  ixpk= 423, nxpk= 15, iat= 695, 702, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:424     46 ALA  HN          5.50    (#    424:15  Single Ambig)
 &rst
  ixpk= 424, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 731, 740, 733, 738,
 &end
#
#   46 ALA  HA           46 ALA  HN          4.50    (#    425:15  Unique         2.88, 2.91 A)
 &rst
  ixpk= 425, nxpk= 15, iat= 704, 702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 THR  HA           46 ALA  HN          4.50    (#    426:15  Unique         3.57, 3.77 A)
 &rst
  ixpk= 426, nxpk= 15, iat= 650, 702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 GLY  HA+          46 ALA  HN          3.50    (#    427:15  Unique         2.85, 3.29 A)
 &rst
  ixpk= 427, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 697, 698,
 &end
#
#   45 GLY  HA-          46 ALA  HN          3.50    (#    428:15  Unique         2.85, 3.29 A)
 &rst
  ixpk= 428, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 697, 698,
 &end
#
#    0 AMB  15-2:429     46 ALA  HN          5.50    (#    429:15  Single Ambig)
 &rst
  ixpk= 429, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 683, 727, 728,
 &end
#
#   46 ALA  MB           46 ALA  HN          2.50    (#    430:15  Unique         2.40, 2.90 A)
 &rst
  ixpk= 430, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 706, 707, 708,
 &end
#
#    0 AMB  15-2:431     46 ALA  HN          5.50    (#    431:15  Single Ambig)
 &rst
  ixpk= 431, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 338, 339, 340, 342, 343, 344,1535,1536,1537,1539,
      1540,1541,
 &end
#
#   44 VAL  MGX          46 ALA  HN          3.50    (#    432:15  Unique         2.30, 4.66 A)
 &rst
  ixpk= 432, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  15-2:433     18 ALA  HN          5.50    (#    433:15  Single Ambig)
 &rst
  ixpk= 433, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 242, 220,
 &end
#
#    0 AMB  15-2:434     18 ALA  HN          5.50    (#    434:15  Single Ambig)
 &rst
  ixpk= 434, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 290, 291, 190,
 &end
#
#   17 LEU  HN           18 ALA  HN          3.50    (#    435:15  Unique         2.78, 2.81 A)
 &rst
  ixpk= 435, nxpk= 15, iat= 257, 276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:436     18 ALA  HN          5.50    (#    436:15  Single Ambig)
 &rst
  ixpk= 436, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 297,1052,
 &end
#
#   26 PHE  HZ           18 ALA  HN          4.50    (#    437:15  Unique         2.51, 2.59 A)
 &rst
  ixpk= 437, nxpk= 15, iat= 392, 276, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 SER  HN           18 ALA  HN          4.50    (#    438:15  Unique         2.78, 2.83 A)
 &rst
  ixpk= 438, nxpk= 15, iat= 286, 276, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:439     18 ALA  HN          4.50    (#    439:15  Single Ambig)
 &rst
  ixpk= 439, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 259, 212, 244,
 &end
#
#    0 AMB  15-2:440     18 ALA  HN          3.50    (#    440:15  Single Ambig)
 &rst
  ixpk= 440, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 278, 222,
 &end
#
#   17 LEU  HB+          18 ALA  HN          4.50    (#    441:15  Unique         2.50, 2.98 A)
 &rst
  ixpk= 441, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   17 LEU  MDY          18 ALA  HN          5.50    (#    442:15  Unique         4.81, 5.66 A)
 &rst
  ixpk= 442, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 266, 267, 268, 270, 271, 272,
 &end
#
#    0 AMB  15-2:443     18 ALA  HN          5.50    (#    443:15  Single Ambig)
 &rst
  ixpk= 443, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 214, 215, 216, 224, 225,
 &end
#
#   17 LEU  HB-          18 ALA  HN          4.50    (#    444:15  Unique         2.50, 2.98 A)
 &rst
  ixpk= 444, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   18 ALA  MB           18 ALA  HN          2.50    (#    445:15  Unique         2.44, 2.85 A)
 &rst
  ixpk= 445, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 280, 281, 282,
 &end
#
#   24 VAL  MGX          18 ALA  HN          5.50    (#    446:15  Unique         3.81, 5.26 A)
 &rst
  ixpk= 446, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   69 TRP  HZ3          18 ALA  HN          5.50    (#    447:15  Unique         4.15, 4.45 A)
 &rst
  ixpk= 447, nxpk= 15, iat=1056, 276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:448     40 LEU  HN          4.50    (#    448:15  Single Ambig)
 &rst
  ixpk= 448, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 600, 601, 666, 667,
 &end
#
#   42 THR  HN           40 LEU  HN          5.50    (#    449:15  Unique         4.05, 4.11 A)
 &rst
  ixpk= 449, nxpk= 15, iat= 648, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:450     40 LEU  HN          3.50    (#    450:15  Single Ambig)
 &rst
  ixpk= 450, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 593, 629,
 &end
#
#    0 AMB  15-2:451     40 LEU  HN          3.50    (#    451:15  Single Ambig)
 &rst
  ixpk= 451, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 612, 533,
 &end
#
#   37 VAL  HA           40 LEU  HN          4.50    (#    452:15  Unique         3.23, 3.35 A)
 &rst
  ixpk= 452, nxpk= 15, iat= 557, 610, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 LYS  HA           40 LEU  HN          5.50    (#    453:15  Unique         4.50, 4.57 A)
 &rst
  ixpk= 453, nxpk= 15, iat= 573, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:454     40 LEU  HN          5.50    (#    454:15  Single Ambig)
 &rst
  ixpk= 454, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 669, 670, 600, 601,
 &end
#
#   39 GLN  QB           40 LEU  HN          3.50    (#    455:15  Unique         2.57, 3.26 A)
 &rst
  ixpk= 455, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 597, 598,
 &end
#
#   38 LYS  HB-          40 LEU  HN          5.50    (#    456:15  Unique         4.95, 5.40 A)
 &rst
  ixpk= 456, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 575, 576,
 &end
#
#   40 LEU  QB           40 LEU  HN          2.50    (#    457:15  Unique         2.28, 2.47 A)
 &rst
  ixpk= 457, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 614, 615,
 &end
#
#   40 LEU  MDY          40 LEU  HN          4.50    (#    458:15  Unique         4.39, 5.08 A)
 &rst
  ixpk= 458, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  15-2:459     40 LEU  HN          5.50    (#    459:15  Single Ambig)
 &rst
  ixpk= 459, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 561, 562, 563, 565, 566, 567,1373,1374,1375,1377,
      1378,1379,
 &end
#
#    0 AMB  15-2:460     40 LEU  HN          4.50    (#    460:15  Single Ambig)
 &rst
  ixpk= 460, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 633, 634, 561, 562, 563, 565, 566, 567,1357,1358,
      1359,1361,1362,1363,1357,1358,1359,1361,1362,1363,
      
 &end
#
#   40 LEU  MDX          40 LEU  HN          5.50    (#    461:15  Unique         4.39, 5.08 A)
 &rst
  ixpk= 461, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   40 LEU  HG           40 LEU  HN          5.50    (#    462:15  Unique         4.51, 4.55 A)
 &rst
  ixpk= 462, nxpk= 15, iat= 617, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 LEU  MDY          40 LEU  HN          5.50    (#    463:15  Unique         4.42, 6.61 A)
 &rst
  ixpk= 463, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   43 GLN  HN           40 LEU  HN          5.50    (#    464:15  Unique         4.69, 4.75 A)
 &rst
  ixpk= 464, nxpk= 15, iat= 662, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  102 PRO  HD+         101 LEU  HN          4.50    (#    466:15  Unique         2.43, 2.94 A)
 &rst
  ixpk= 466, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1546,1547,
 &end
#
#  100 LEU  HN          101 LEU  HN          4.50    (#    467:15  Unique         2.56, 2.66 A)
 &rst
  ixpk= 467, nxpk= 15, iat=1507,1526, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 LEU  HA          101 LEU  HN          5.50    (#    468:15  Unique         3.58, 3.60 A)
 &rst
  ixpk= 468, nxpk= 15, iat=1509,1526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  101 LEU  HA          101 LEU  HN          4.50    (#    469:15  Unique         2.80, 2.83 A)
 &rst
  ixpk= 469, nxpk= 15, iat=1528,1526, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  102 PRO  HD-         101 LEU  HN          4.50    (#    470:15  Unique         2.43, 2.94 A)
 &rst
  ixpk= 470, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1546,1547,
 &end
#
#  100 LEU  HB+         101 LEU  HN          5.50    (#    471:15  Unique         2.56, 3.28 A)
 &rst
  ixpk= 471, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1511,1512,
 &end
#
#  101 LEU  QB          101 LEU  HN          3.50    (#    472:15  Unique         2.13, 2.62 A)
 &rst
  ixpk= 472, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1530,1531,
 &end
#
#  101 LEU  MDX         101 LEU  HN          5.50    (#    473:15  Unique         2.62, 4.97 A)
 &rst
  ixpk= 473, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  15-2:474    101 LEU  HN          5.50    (#    474:15  Single Ambig)
 &rst
  ixpk= 474, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1=1587,1588,1589,1591,1592,1593,1516,1517,1518,1520,
      1521,1522,1585,
 &end
#
#    0 AMB  15-2:475    101 LEU  HN          5.50    (#    475:15  Single Ambig)
 &rst
  ixpk= 475, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1514,1563,1564,
 &end
#
#   97 ARG  HG-          96 GLN  HN          5.50    (#    476:15  Unique         4.65, 5.47 A)
 &rst
  ixpk= 476, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1461,1462,
 &end
#
#   95 HIS  HN           96 GLN  HN          3.50    (#    477:15  Unique         2.66, 2.71 A)
 &rst
  ixpk= 477, nxpk= 15, iat=1420,1437, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   98 ASN  HN           96 GLN  HN          5.50    (#    478:15  Unique         3.98, 4.04 A)
 &rst
  ixpk= 478, nxpk= 15, iat=1478,1437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:479     96 GLN  HN          4.50    (#    479:15  Single Ambig)
 &rst
  ixpk= 479, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1449,1450,1454,
 &end
#
#   96 GLN  HA           96 GLN  HN          3.50    (#    480:15  Unique         2.81, 2.84 A)
 &rst
  ixpk= 480, nxpk= 15, iat=1439,1437, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   95 HIS  HB-          96 GLN  HN          4.50    (#    481:15  Unique         2.51, 3.29 A)
 &rst
  ixpk= 481, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1424,1425,
 &end
#
#   96 GLN  HG+          96 GLN  HN          4.50    (#    482:15  Unique         2.27, 3.03 A)
 &rst
  ixpk= 482, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1444,1445,
 &end
#
#   96 GLN  HB+          96 GLN  HN          3.50    (#    483:15  Unique         2.35, 3.03 A)
 &rst
  ixpk= 483, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1441,1442,
 &end
#
#   96 GLN  HB-          96 GLN  HN          3.50    (#    484:15  Unique         2.35, 3.03 A)
 &rst
  ixpk= 484, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1441,1442,
 &end
#
#    0 AMB  15-2:485     96 GLN  HN          5.50    (#    485:15  Single Ambig)
 &rst
  ixpk= 485, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1461,1462,1458,1459,
 &end
#
#   92 VAL  MGX          96 GLN  HN          5.50    (#    486:15  Unique         4.49, 6.01 A)
 &rst
  ixpk= 486, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#   95 HIS  HA           96 GLN  HN          4.50    (#    487:15  Unique         3.61, 3.63 A)
 &rst
  ixpk= 487, nxpk= 15, iat=1422,1437, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97 ARG  HA           96 GLN  HN          5.50    (#    488:15  Unique         5.39, 5.42 A)
 &rst
  ixpk= 488, nxpk= 15, iat=1456,1437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93 GLU  HA           96 GLN  HN          4.50    (#    489:15  Unique         3.14, 3.42 A)
 &rst
  ixpk= 489, nxpk= 15, iat=1385,1437, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95 HIS  HB+          96 GLN  HN          4.50    (#    490:15  Unique         2.51, 3.29 A)
 &rst
  ixpk= 490, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1424,1425,
 &end
#
#   96 GLN  HG-          96 GLN  HN          4.50    (#    491:15  Unique         2.27, 3.03 A)
 &rst
  ixpk= 491, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1444,1445,
 &end
#
#  100 LEU  MDY          96 GLN  HN          7.00    (#    492:15  Unique         5.55, 7.36 A)
 &rst
  ixpk= 492, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1516,1517,1518,1520,1521,1522,
 &end
#
#   53 LEU  MDX          27 SER  HN          5.50    (#    493:15  Unique         2.38, 4.69 A)
 &rst
  ixpk= 493, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  15-2:494     27 SER  HN          5.50    (#    494:15  Single Ambig)
 &rst
  ixpk= 494, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 782, 798,
 &end
#
#   26 PHE  HD           27 SER  HN          5.50    (#    495:15  Unique         4.18, 5.20 A)
 &rst
  ixpk= 495, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 388, 396,
 &end
#
#   27 SER  HB+          27 SER  HN          5.50    (#    497:15  Unique         2.58, 3.42 A)
 &rst
  ixpk= 497, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 404, 405,
 &end
#
#   27 SER  HB-          27 SER  HN          5.50    (#    498:15  Unique         2.58, 3.42 A)
 &rst
  ixpk= 498, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 404, 405,
 &end
#
#    0 AMB  15-2:499     27 SER  HN          5.50    (#    499:15  Single Ambig)
 &rst
  ixpk= 499, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 805, 806, 368, 802, 803,
 &end
#
#   51 VAL  MGX          27 SER  HN          5.50    (#    500:15  Unique         4.30, 5.65 A)
 &rst
  ixpk= 500, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#   53 LEU  HN           27 SER  HN          5.50    (#    501:15  Unique         2.84, 2.99 A)
 &rst
  ixpk= 501, nxpk= 15, iat= 813, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 SER  HA           27 SER  HN          4.50    (#    502:15  Unique         2.91, 2.95 A)
 &rst
  ixpk= 502, nxpk= 15, iat= 402, 400, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 PHE  HA           27 SER  HN          3.50    (#    503:15  Unique         2.16, 2.22 A)
 &rst
  ixpk= 503, nxpk= 15, iat= 382, 400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 PHE  HB+          27 SER  HN          5.50    (#    504:15  Unique         3.13, 3.78 A)
 &rst
  ixpk= 504, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 384, 385,
 &end
#
#   26 PHE  HB-          27 SER  HN          5.50    (#    505:15  Unique         3.13, 3.78 A)
 &rst
  ixpk= 505, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 384, 385,
 &end
#
#   53 LEU  HG           27 SER  HN          5.50    (#    506:15  Unique         2.79, 4.19 A)
 &rst
  ixpk= 506, nxpk= 15, iat= 820, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 VAL  HB           27 SER  HN          5.50    (#    507:15  Unique         3.32, 3.60 A)
 &rst
  ixpk= 507, nxpk= 15, iat= 786, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:508     27 SER  HN          4.50    (#    508:15  Single Ambig)
 &rst
  ixpk= 508, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 822, 823, 824, 826, 827, 828,1135,1136,1137,1139,
      1140,1141,
 &end
#
#    0 AMB  15-2:510    113 ASN  HN          7.00    (#    510:15  Single Ambig)
 &rst
  ixpk= 510, nxpk= 15, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1726,1658,
 &end
#
#  114 PRO  HD-         113 ASN  HN          5.50    (#    511:15  Unique         2.47, 4.25 A)
 &rst
  ixpk= 511, nxpk= 15, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1717,1718,
 &end
#
#   84 GLN  HE2-         72 ARG  HN          5.50    (#    516:15  Unique         3.28, 5.90 A)
 &rst
  ixpk= 516, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1276,1277,
 &end
#
#   77 ASN  HD2-         72 ARG  HN          5.50    (#    517:15  Unique         3.59, 4.19 A)
 &rst
  ixpk= 517, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1168,1169,
 &end
#
#   72 ARG  HA           72 ARG  HN          4.50    (#    519:15  Unique         2.94, 2.97 A)
 &rst
  ixpk= 519, nxpk= 15, iat=1086,1084, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 ALA  HA           72 ARG  HN          3.50    (#    520:15  Unique         2.83, 3.18 A)
 &rst
  ixpk= 520, nxpk= 15, iat=1014,1084, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 THR  HN           72 ARG  HN          4.50    (#    521:15  Unique         3.37, 3.61 A)
 &rst
  ixpk= 521, nxpk= 15, iat=1063,1084, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 GLY  HA+          72 ARG  HN          3.50    (#    522:15  Unique         3.12, 3.35 A)
 &rst
  ixpk= 522, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1079,1080,
 &end
#
#   70 THR  HB           72 ARG  HN          5.50    (#    523:15  Unique         3.07, 3.41 A)
 &rst
  ixpk= 523, nxpk= 15, iat=1067,1084, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 ARG  HB+          72 ARG  HN          4.50    (#    524:15  Unique         2.39, 3.02 A)
 &rst
  ixpk= 524, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1088,1089,
 &end
#
#    0 AMB  15-2:525     72 ARG  HN          3.50    (#    525:15  Single Ambig)
 &rst
  ixpk= 525, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1088,1089,1091,1092,
 &end
#
#   70 THR  MG2          72 ARG  HN          4.50    (#    526:15  Unique         4.65, 4.98 A)
 &rst
  ixpk= 526, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1069,1070,1071,
 &end
#
#   60 SER  HN           62 LEU  HN          5.50    (#    528:15  Unique         4.08, 4.22 A)
 &rst
  ixpk= 528, nxpk= 15, iat= 908, 936, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 GLN  HN           62 LEU  HN          3.50    (#    530:15  Unique         2.39, 2.45 A)
 &rst
  ixpk= 530, nxpk= 15, iat= 919, 936, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 LEU  HA           62 LEU  HN          4.50    (#    531:15  Unique         2.83, 2.85 A)
 &rst
  ixpk= 531, nxpk= 15, iat= 938, 936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 GLY  HA+          62 LEU  HN          5.50    (#    532:15  Unique         3.28, 4.15 A)
 &rst
  ixpk= 532, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 903, 904,
 &end
#
#   58 ASP  HB-          62 LEU  HN          5.50    (#    533:15  Unique         4.05, 4.95 A)
 &rst
  ixpk= 533, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 893, 894,
 &end
#
#   61 GLN  HG+          62 LEU  HN          4.50    (#    534:15  Unique         2.33, 4.51 A)
 &rst
  ixpk= 534, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 926, 927,
 &end
#
#   61 GLN  HB+          62 LEU  HN          3.50    (#    535:15  Unique         2.57, 3.42 A)
 &rst
  ixpk= 535, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 923, 924,
 &end
#
#   62 LEU  HB+          62 LEU  HN          3.50    (#    536:15  Unique         2.10, 2.62 A)
 &rst
  ixpk= 536, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 940, 941,
 &end
#
#   62 LEU  MDX          62 LEU  HN          3.50    (#    537:15  Unique         2.40, 4.70 A)
 &rst
  ixpk= 537, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 945, 946, 947, 949, 950, 951,
 &end
#
#   10 ALA  MB           62 LEU  HN          4.50    (#    538:15  Unique         3.78, 4.57 A)
 &rst
  ixpk= 538, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 141, 142, 143,
 &end
#
#   62 LEU  HB-          62 LEU  HN          4.50    (#    539:15  Unique         2.10, 2.62 A)
 &rst
  ixpk= 539, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 940, 941,
 &end
#
#   62 LEU  MDY          62 LEU  HN          4.50    (#    540:15  Unique         2.40, 4.70 A)
 &rst
  ixpk= 540, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 945, 946, 947, 949, 950, 951,
 &end
#
#  112 LYS  HN          113 ASN  HN          4.50    (#    541:15  Unique         2.25, 2.74 A)
 &rst
  ixpk= 541, nxpk= 15, iat=1680,1702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  113 ASN  HA          113 ASN  HN          4.50    (#    542:15  Unique         2.24, 2.88 A)
 &rst
  ixpk= 542, nxpk= 15, iat=1704,1702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:544    113 ASN  HN          3.50    (#    544:15  Single Ambig)
 &rst
  ixpk= 544, nxpk= 15, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1682,1672,
 &end
#
#  113 ASN  HB-         113 ASN  HN          4.50    (#    545:15  Unique         2.24, 3.02 A)
 &rst
  ixpk= 545, nxpk= 15, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1706,1707,
 &end
#
#  113 ASN  HB+         113 ASN  HN          4.50    (#    546:15  Unique         2.24, 3.02 A)
 &rst
  ixpk= 546, nxpk= 15, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1706,1707,
 &end
#
#    0 AMB  15-2:547    113 ASN  HN          4.50    (#    547:15  Single Ambig)
 &rst
  ixpk= 547, nxpk= 15, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1684,1685,1684,1685,
 &end
#
#    0 AMB  15-2:548    113 ASN  HN          4.50    (#    548:15  Single Ambig)
 &rst
  ixpk= 548, nxpk= 15, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1687,1688,1674,1675,1676,
 &end
#
#  105 GLN  HN          106 ASP  HN          3.50    (#    549:15  Unique         2.63, 2.70 A)
 &rst
  ixpk= 549, nxpk= 15, iat=1597,1614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  107 ALA  HN          106 ASP  HN          3.50    (#    550:15  Unique         2.67, 2.73 A)
 &rst
  ixpk= 550, nxpk= 15, iat=1626,1614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  103 LEU  HN          106 ASP  HN          5.50    (#    551:15  Unique         4.63, 4.69 A)
 &rst
  ixpk= 551, nxpk= 15, iat=1559,1614, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 ASP  HA          106 ASP  HN          3.50    (#    552:15  Unique         2.82, 2.85 A)
 &rst
  ixpk= 552, nxpk= 15, iat=1616,1614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  105 GLN  HA          106 ASP  HN          3.50    (#    553:15  Unique         3.55, 3.57 A)
 &rst
  ixpk= 553, nxpk= 15, iat=1599,1614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  106 ASP  HB-         106 ASP  HN          3.50    (#    554:15  Unique         2.34, 2.50 A)
 &rst
  ixpk= 554, nxpk= 15, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1618,1619,
 &end
#
#    0 AMB  15-2:555    106 ASP  HN          4.50    (#    555:15  Single Ambig)
 &rst
  ixpk= 555, nxpk= 15, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1604,1605,1552,1553,
 &end
#
#  105 GLN  HB+         106 ASP  HN          3.50    (#    556:15  Unique         2.51, 3.08 A)
 &rst
  ixpk= 556, nxpk= 15, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1601,1602,
 &end
#
#  105 GLN  HB-         106 ASP  HN          3.50    (#    557:15  Unique         2.51, 3.08 A)
 &rst
  ixpk= 557, nxpk= 15, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1601,1602,
 &end
#
#    0 AMB  15-2:558    106 ASP  HN          4.50    (#    558:15  Single Ambig)
 &rst
  ixpk= 558, nxpk= 15, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1630,1631,1632,1563,1564,1640,1641,1642,
 &end
#
#    8 ASP  HB+           6 GLU  HN          5.50    (#    559:15  Unique         5.00, 5.62 A)
 &rst
  ixpk= 559, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 119, 120,
 &end
#
#    5 GLN  HN            6 GLU  HN          4.50    (#    560:15  Unique         2.52, 2.66 A)
 &rst
  ixpk= 560, nxpk= 15, iat=  64,  81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 LEU  HN            6 GLU  HN          3.50    (#    561:15  Unique         2.44, 2.57 A)
 &rst
  ixpk= 561, nxpk= 15, iat=  96,  81, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 SER  HA            6 GLU  HN          5.50    (#    563:15  Unique         2.98, 3.90 A)
 &rst
  ixpk= 563, nxpk= 15, iat=  33,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:564      6 GLU  HN          3.50    (#    564:15  Single Ambig)
 &rst
  ixpk= 564, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  83,  44,
 &end
#
#    5 GLN  QG            6 GLU  HN          5.50    (#    565:15  Unique         3.97, 4.75 A)
 &rst
  ixpk= 565, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  72,
 &end
#
#    0 AMB  15-2:566      6 GLU  HN          3.50    (#    566:15  Single Ambig)
 &rst
  ixpk= 566, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  88,  89,  88,  89,
 &end
#
#    6 GLU  HB-           6 GLU  HN          3.50    (#    567:15  Unique         2.28, 2.95 A)
 &rst
  ixpk= 567, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  85,  86,
 &end
#
#    0 AMB  15-2:568      6 GLU  HN          3.50    (#    568:15  Single Ambig)
 &rst
  ixpk= 568, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  85,  86,  68,  69,
 &end
#
#    4 LYS  HB-           6 GLU  HN          5.50    (#    569:15  Unique         4.99, 5.54 A)
 &rst
  ixpk= 569, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  46,  47,
 &end
#
#    0 AMB  15-2:570      6 GLU  HN          5.50    (#    570:15  Single Ambig)
 &rst
  ixpk= 570, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 100, 101,  52,  53,
 &end
#
#    0 AMB  15-2:571      6 GLU  HN          4.50    (#    571:15  Single Ambig)
 &rst
  ixpk= 571, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 131, 132, 133,  49,  50,
 &end
#
#  107 ALA  MB           81 GLY  HN          4.50    (#    572:15  Unique         2.55, 3.50 A)
 &rst
  ixpk= 572, nxpk= 15, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1630,1631,1632,
 &end
#
#   82 GLY  HN           81 GLY  HN          5.50    (#    573:15  Unique         2.75, 2.80 A)
 &rst
  ixpk= 573, nxpk= 15, iat=1235,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   80 ILE  HA           81 GLY  HN          3.50    (#    574:15  Unique         2.21, 2.24 A)
 &rst
  ixpk= 574, nxpk= 15, iat=1211,1228, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 GLY  HA+          81 GLY  HN          4.50    (#    575:15  Unique         2.28, 2.55 A)
 &rst
  ixpk= 575, nxpk= 15, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1230,1231,
 &end
#
#   81 GLY  HA-          81 GLY  HN          4.50    (#    576:15  Unique         2.28, 2.55 A)
 &rst
  ixpk= 576, nxpk= 15, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1230,1231,
 &end
#
#   23 VAL  MGX          81 GLY  HN          5.50    (#    577:15  Unique         3.79, 5.50 A)
 &rst
  ixpk= 577, nxpk= 15, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   80 ILE  MG2          81 GLY  HN          4.50    (#    578:15  Unique         2.56, 3.24 A)
 &rst
  ixpk= 578, nxpk= 15, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1215,1216,1217,
 &end
#
#    7 LEU  HN            8 ASP  HN          3.50    (#    580:15  Unique         2.64, 2.76 A)
 &rst
  ixpk= 580, nxpk= 15, iat=  96, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 LEU  MDX           8 ASP  HN          5.50    (#    581:15  Unique         3.28, 5.31 A)
 &rst
  ixpk= 581, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#   91 VAL  HN           93 GLU  HN          5.50    (#    582:15  Unique         4.21, 4.28 A)
 &rst
  ixpk= 582, nxpk= 15, iat=1351,1383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89 ASP  HA           93 GLU  HN          5.50    (#    583:15  Unique         3.74, 3.83 A)
 &rst
  ixpk= 583, nxpk= 15, iat=1327,1383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93 GLU  HA           93 GLU  HN          3.50    (#    584:15  Unique         2.82, 2.84 A)
 &rst
  ixpk= 584, nxpk= 15, iat=1385,1383, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:585     93 GLU  HN          5.50    (#    585:15  Single Ambig)
 &rst
  ixpk= 585, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1444,1445,1329,1330,
 &end
#
#    0 AMB  15-2:586     93 GLU  HN          3.50    (#    586:15  Single Ambig)
 &rst
  ixpk= 586, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1387,1388,1371,
 &end
#
#   90 THR  HA           93 GLU  HN          4.50    (#    587:15  Unique         3.59, 3.67 A)
 &rst
  ixpk= 587, nxpk= 15, iat=1339,1383, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92 VAL  HA           93 GLU  HN          5.50    (#    588:15  Unique         3.60, 3.64 A)
 &rst
  ixpk= 588, nxpk= 15, iat=1369,1383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:589     93 GLU  HN          4.50    (#    589:15  Single Ambig)
 &rst
  ixpk= 589, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1390,1391,1441,1442,
 &end
#
#   92 VAL  MGX          93 GLU  HN          4.50    (#    590:15  Unique         2.58, 4.57 A)
 &rst
  ixpk= 590, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#    0 AMB  15-2:591     93 GLU  HN          5.50    (#    591:15  Single Ambig)
 &rst
  ixpk= 591, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1337,1307,
 &end
#
#   36 ARG  HA           38 LYS  HN          5.50    (#    594:15  Unique         4.57, 4.67 A)
 &rst
  ixpk= 594, nxpk= 15, iat= 533, 571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 LYS  HD-          38 LYS  HN          5.50    (#    595:15  Unique         3.55, 4.11 A)
 &rst
  ixpk= 595, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 581, 582,
 &end
#
#   38 LYS  HD+          38 LYS  HN          4.50    (#    596:15  Unique         3.55, 4.11 A)
 &rst
  ixpk= 596, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 581, 582,
 &end
#
#   38 LYS  HG+          38 LYS  HN          4.50    (#    597:15  Unique         2.20, 2.92 A)
 &rst
  ixpk= 597, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 578, 579,
 &end
#
#   37 VAL  HN           38 LYS  HN          4.50    (#    598:15  Unique         2.74, 2.81 A)
 &rst
  ixpk= 598, nxpk= 15, iat= 555, 571, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:599     38 LYS  HN          5.50    (#    599:15  Single Ambig)
 &rst
  ixpk= 599, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 733, 738, 731, 740,
 &end
#
#   35 ASN  HA           38 LYS  HN          5.50    (#    600:15  Unique         3.34, 3.54 A)
 &rst
  ixpk= 600, nxpk= 15, iat= 519, 571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:601     38 LYS  HN          5.50    (#    601:15  Single Ambig)
 &rst
  ixpk= 601, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 508, 595,
 &end
#
#    0 AMB  15-2:602     38 LYS  HN          5.50    (#    602:15  Single Ambig)
 &rst
  ixpk= 602, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 557, 510, 511,
 &end
#
#   38 LYS  HA           38 LYS  HN          4.50    (#    603:15  Unique         2.80, 2.82 A)
 &rst
  ixpk= 603, nxpk= 15, iat= 573, 571, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:604     38 LYS  HN          3.50    (#    604:15  Single Ambig)
 &rst
  ixpk= 604, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 575, 576, 559,
 &end
#
#   37 VAL  MGY          38 LYS  HN          5.50    (#    605:15  Unique         3.35, 4.51 A)
 &rst
  ixpk= 605, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#   37 VAL  MGX          38 LYS  HN          4.50    (#    606:15  Unique         3.35, 4.51 A)
 &rst
  ixpk= 606, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  15-2:607    106 ASP  HN          5.50    (#    607:15  Single Ambig)
 &rst
  ixpk= 607, nxpk= 15, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1552,1553,1587,1588,1589,1591,1592,1593,1533,
 &end
#
#    0 AMB  15-2:608    106 ASP  HN          4.50    (#    608:15  Single Ambig)
 &rst
  ixpk= 608, nxpk= 15, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1742,1555,
 &end
#
#  104 LEU  HA          106 ASP  HN          5.50    (#    609:15  Unique         4.33, 4.48 A)
 &rst
  ixpk= 609, nxpk= 15, iat=1580,1614, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ASP  HA            8 ASP  HN          3.50    (#    612:15  Unique         2.84, 2.85 A)
 &rst
  ixpk= 612, nxpk= 15, iat= 117, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:613      8 ASP  HN          3.50    (#    613:15  Single Ambig)
 &rst
  ixpk= 613, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  66,  98,
 &end
#
#    7 LEU  QB            8 ASP  HN          3.50    (#    614:15  Unique         2.47, 3.22 A)
 &rst
  ixpk= 614, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 100, 101,
 &end
#
#    9 ALA  HN            8 ASP  HN          3.50    (#    615:15  Unique         2.72, 2.76 A)
 &rst
  ixpk= 615, nxpk= 15, iat= 127, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 ASP  HB+           8 ASP  HN          3.50    (#    617:15  Unique         2.33, 2.50 A)
 &rst
  ixpk= 617, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 119, 120,
 &end
#
#    8 ASP  HB-           8 ASP  HN          3.50    (#    618:15  Unique         2.33, 2.50 A)
 &rst
  ixpk= 618, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 119, 120,
 &end
#
#    0 AMB  15-2:619      8 ASP  HN          4.50    (#    619:15  Single Ambig)
 &rst
  ixpk= 619, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  49,  50, 131, 132, 133, 987, 988, 989,
 &end
#
#   96 GLN  HN           95 HIS  HN          4.50    (#    620:15  Unique         2.66, 2.71 A)
 &rst
  ixpk= 620, nxpk= 15, iat=1437,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 LEU  HN           95 HIS  HN          5.50    (#    621:15  Unique         4.14, 4.23 A)
 &rst
  ixpk= 621, nxpk= 15, iat=1507,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 HIS  HD2          95 HIS  HN          5.50    (#    622:15  Unique         4.99, 5.09 A)
 &rst
  ixpk= 622, nxpk= 15, iat=1433,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96 GLN  HG+          95 HIS  HN          5.50    (#    623:15  Unique         4.42, 5.40 A)
 &rst
  ixpk= 623, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1444,1445,
 &end
#
#   95 HIS  HA           95 HIS  HN          4.50    (#    624:15  Unique         2.86, 2.88 A)
 &rst
  ixpk= 624, nxpk= 15, iat=1422,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 VAL  HA           95 HIS  HN          5.50    (#    625:15  Unique         3.59, 3.80 A)
 &rst
  ixpk= 625, nxpk= 15, iat=1353,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 HIS  HB+          95 HIS  HN          3.50    (#    626:15  Unique         2.41, 2.55 A)
 &rst
  ixpk= 626, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1424,1425,
 &end
#
#   96 GLN  HG-          95 HIS  HN          5.50    (#    627:15  Unique         4.42, 5.40 A)
 &rst
  ixpk= 627, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1444,1445,
 &end
#
#   94 LYS  HB+          95 HIS  HN          4.50    (#    628:15  Unique         2.88, 3.43 A)
 &rst
  ixpk= 628, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1402,1403,
 &end
#
#    0 AMB  15-2:629     95 HIS  HN          4.50    (#    629:15  Single Ambig)
 &rst
  ixpk= 629, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1405,1406,1461,1462,
 &end
#
#   94 LYS  HB-          95 HIS  HN          4.50    (#    630:15  Unique         2.88, 3.43 A)
 &rst
  ixpk= 630, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1402,1403,
 &end
#
#  100 LEU  HB-          95 HIS  HN          5.50    (#    631:15  Unique         2.95, 3.50 A)
 &rst
  ixpk= 631, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1511,1512,
 &end
#
#    0 AMB  15-2:632     95 HIS  HN          4.50    (#    632:15  Single Ambig)
 &rst
  ixpk= 632, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
      1521,1522,
 &end
#
#   40 LEU  HG           95 HIS  HN          7.00    (#    633:15  Unique         5.59, 5.70 A)
 &rst
  ixpk= 633, nxpk= 15, iat= 617,1420, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-2:634      0 AMB  15-1:634    5.50    (#    634:15  Double Ambig)
 &rst
  ixpk= 634, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1449,1450,1454,
 igr2=1383,1420,
 &end
#
#    0 AMB  15-2:635     93 GLU  HN          5.50    (#    635:15  Single Ambig)
 &rst
  ixpk= 635, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1337,1307,
 &end
#
#   40 LEU  MDX          93 GLU  HN          5.50    (#    636:15  Unique         5.38, 6.64 A)
 &rst
  ixpk= 636, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  15-2:637     93 GLU  HN          5.50    (#    637:15  Single Ambig)
 &rst
  ixpk= 637, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1343,1344,1345,1511,1512,
 &end
#
#  110 THR  MG2         112 LYS  HN          7.00    (#    638:15  Unique         2.69, 5.39 A)
 &rst
  ixpk= 638, nxpk= 15, iat=  -1,1680, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1662,1663,1664,
 &end
#
#  113 ASN  HN          112 LYS  HN          5.50    (#    639:15  Unique         2.25, 2.74 A)
 &rst
  ixpk= 639, nxpk= 15, iat=1702,1680, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  111 ALA  HN          112 LYS  HN          4.50    (#    640:15  Unique         2.13, 2.95 A)
 &rst
  ixpk= 640, nxpk= 15, iat=1670,1680, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 THR  HN          112 LYS  HN          5.50    (#    641:15  Unique         3.80, 4.78 A)
 &rst
  ixpk= 641, nxpk= 15, iat=1656,1680, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  113 ASN  HA          112 LYS  HN          7.00    (#    642:15  Unique         4.51, 5.21 A)
 &rst
  ixpk= 642, nxpk= 15, iat=1704,1680, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-2:644    112 LYS  HN          3.50    (#    644:15  Single Ambig)
 &rst
  ixpk= 644, nxpk= 15, iat=  -1,1680, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1672,1660,1682,
 &end
#
#  112 LYS  HB-         112 LYS  HN          3.50    (#    645:15  Unique         2.26, 2.97 A)
 &rst
  ixpk= 645, nxpk= 15, iat=  -1,1680, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1684,1685,
 &end
#
#  112 LYS  QG          112 LYS  HN          4.50    (#    646:15  Unique         2.07, 3.27 A)
 &rst
  ixpk= 646, nxpk= 15, iat=  -1,1680, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1687,1688,
 &end
#
#   15 LYS  HG+          16 GLU  HN          5.50    (#    648:15  Unique         2.53, 4.76 A)
 &rst
  ixpk= 648, nxpk= 15, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 227, 228,
 &end
#
#   17 LEU  HN           16 GLU  HN          3.50    (#    649:15  Unique         2.73, 2.81 A)
 &rst
  ixpk= 649, nxpk= 15, iat= 257, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HA           16 GLU  HN          4.50    (#    651:15  Unique         3.09, 3.33 A)
 &rst
  ixpk= 651, nxpk= 15, iat= 190, 242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 GLU  HA           16 GLU  HN          3.50    (#    652:15  Unique         2.80, 2.84 A)
 &rst
  ixpk= 652, nxpk= 15, iat= 244, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:653      0 AMB  15-1:653    4.50    (#    653:15  Double Ambig)
 &rst
  ixpk= 653, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1237,1238, 222,
 igr2=1242, 242,
 &end
#
#   16 GLU  HG-          16 GLU  HN          4.50    (#    654:15  Unique         2.37, 3.80 A)
 &rst
  ixpk= 654, nxpk= 15, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 249, 250,
 &end
#
#    0 AMB  15-2:655     16 GLU  HN          3.50    (#    655:15  Single Ambig)
 &rst
  ixpk= 655, nxpk= 15, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 246, 247, 249, 250,
 &end
#
#   16 GLU  HB-          16 GLU  HN          3.50    (#    656:15  Unique         2.11, 2.72 A)
 &rst
  ixpk= 656, nxpk= 15, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 246, 247,
 &end
#
#    0 AMB  15-2:657      0 AMB  15-1:657    5.50    (#    657:15  Double Ambig)
 &rst
  ixpk= 657, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 261, 262,1219,1220,
 igr2= 242,1242,
 &end
#
#    0 AMB  15-2:658      0 AMB  15-1:658    4.50    (#    658:15  Double Ambig)
 &rst
  ixpk= 658, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1= 264, 280, 281, 282,1568,1569,1570,1572,1573,1574,
      1568,1569,1570,1572,1573,1574,
 igr2= 242,1242,
 &end
#
#   82 GLY  HN           83 LYS  HN          4.50    (#    659:15  Unique         2.68, 2.74 A)
 &rst
  ixpk= 659, nxpk= 15, iat=1235,1242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:660      0 AMB  15-1:660    3.50    (#    660:15  Double Ambig)
 &rst
  ixpk= 660, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1209, 276,
 igr2=1242, 242,
 &end
#
#    0 AMB  15-2:661      0 AMB  15-1:661    5.50    (#    661:15  Double Ambig)
 &rst
  ixpk= 661, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1197,1205, 286,
 igr2=1242, 242,
 &end
#
#    0 AMB  15-2:662     83 LYS  HN          5.50    (#    662:15  Single Ambig)
 &rst
  ixpk= 662, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1211, 334,
 &end
#
#   83 LYS  HA           83 LYS  HN          4.50    (#    663:15  Unique         2.97, 2.98 A)
 &rst
  ixpk= 663, nxpk= 15, iat=1244,1242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 GLY  HA+          83 LYS  HN          4.50    (#    664:15  Unique         3.15, 3.37 A)
 &rst
  ixpk= 664, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1237,1238,
 &end
#
#    0 AMB  15-2:665      0 AMB  15-1:665    5.50    (#    665:15  Double Ambig)
 &rst
  ixpk= 665, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 176, 177,1213,
 igr2= 242,1242,
 &end
#
#   83 LYS  QG           83 LYS  HN          4.50    (#    666:15  Unique         2.51, 4.14 A)
 &rst
  ixpk= 666, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1249,1250,
 &end
#
#    0 AMB  15-2:667      0 AMB  15-1:667    5.50    (#    667:15  Double Ambig)
 &rst
  ixpk= 667, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1291,1292, 230, 231,
 igr2=1242, 242,
 &end
#
#   15 LYS  HG-          16 GLU  HN          5.50    (#    668:15  Unique         2.53, 4.76 A)
 &rst
  ixpk= 668, nxpk= 15, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 227, 228,
 &end
#
#   84 GLN  HA           83 LYS  HN          5.50    (#    669:15  Unique         4.85, 4.96 A)
 &rst
  ixpk= 669, nxpk= 15, iat=1266,1242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83 LYS  QB           83 LYS  HN          3.50    (#    670:15  Unique         2.47, 3.02 A)
 &rst
  ixpk= 670, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1246,1247,
 &end
#
#    0 AMB  15-2:671      0 AMB  15-1:671    4.50    (#    671:15  Double Ambig)
 &rst
  ixpk= 671, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 198, 199,1291,1292,1252,1253,
 igr2= 242,1242,
 &end
#
#    0 AMB  15-2:672      0 AMB  15-1:672    4.50    (#    672:15  Double Ambig)
 &rst
  ixpk= 672, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1215,1216,1217, 266, 267, 268, 270, 271, 272, 945,
       946, 947, 949, 950, 951,
 igr2=1242, 242,
 &end
#
#   79 PHE  HB+          83 LYS  HN          5.50    (#    673:15  Unique         3.31, 4.32 A)
 &rst
  ixpk= 673, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#    0 AMB  15-2:674     36 ARG  HN          5.50    (#    674:15  Single Ambig)
 &rst
  ixpk= 674, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 571, 593,
 &end
#
#    0 AMB  15-2:676      0 AMB  15-1:676    4.50    (#    676:15  Double Ambig)
 &rst
  ixpk= 676, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1339, 480, 481, 508,
 igr2=1351, 531,
 &end
#
#    0 AMB  15-2:677      0 AMB  15-1:677    5.50    (#    677:15  Double Ambig)
 &rst
  ixpk= 677, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1=1309,1310, 510, 511, 557,1146,1147,
 igr2=1351, 531,
 &end
#
#   36 ARG  HB-          36 ARG  HN          3.50    (#    678:15  Unique         2.32, 2.64 A)
 &rst
  ixpk= 678, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 535, 536,
 &end
#
#   36 ARG  HB+          36 ARG  HN          2.50    (#    679:15  Unique         2.32, 2.64 A)
 &rst
  ixpk= 679, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 535, 536,
 &end
#
#   36 ARG  HG+          36 ARG  HN          4.50    (#    680:15  Unique         2.36, 4.15 A)
 &rst
  ixpk= 680, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 538, 539,
 &end
#
#   34 CYS  HN           36 ARG  HN          5.50    (#    681:15  Unique         3.84, 3.99 A)
 &rst
  ixpk= 681, nxpk= 15, iat= 506, 531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 ASN  HN           36 ARG  HN          4.50    (#    682:15  Unique         2.81, 2.88 A)
 &rst
  ixpk= 682, nxpk= 15, iat= 517, 531, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:683     36 ARG  HN          4.50    (#    683:15  Single Ambig)
 &rst
  ixpk= 683, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 487, 519,
 &end
#
#   36 ARG  HA           36 ARG  HN          3.50    (#    684:15  Unique         2.80, 2.82 A)
 &rst
  ixpk= 684, nxpk= 15, iat= 533, 531, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:685     36 ARG  HN          5.50    (#    685:15  Single Ambig)
 &rst
  ixpk= 685, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 541, 542,1318,1319,
 &end
#
#   35 ASN  HB+          36 ARG  HN          4.50    (#    686:15  Unique         2.61, 3.42 A)
 &rst
  ixpk= 686, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 521, 522,
 &end
#
#   36 ARG  HG-          36 ARG  HN          4.50    (#    687:15  Unique         2.36, 4.15 A)
 &rst
  ixpk= 687, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 538, 539,
 &end
#
#   39 GLN  HG-          36 ARG  HN          5.50    (#    688:15  Unique         4.75, 5.94 A)
 &rst
  ixpk= 688, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 600, 601,
 &end
#
#   79 PHE  HB+          83 LYS  HN          5.50    (#    690:15  Unique         3.31, 4.32 A)
 &rst
  ixpk= 690, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#   79 PHE  HB-          83 LYS  HN          5.50    (#    691:15  Unique         3.31, 4.32 A)
 &rst
  ixpk= 691, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#   81 GLY  HN           83 LYS  HN          5.50    (#    692:15  Unique         4.30, 4.36 A)
 &rst
  ixpk= 692, nxpk= 15, iat=1228,1242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PHE  HA           83 LYS  HN          5.50    (#    693:15  Unique         4.18, 4.28 A)
 &rst
  ixpk= 693, nxpk= 15, iat=1191,1242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 VAL  HN           91 VAL  HN          3.50    (#    695:15  Unique         2.69, 2.72 A)
 &rst
  ixpk= 695, nxpk= 15, iat=1367,1351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88 CYS  HA           91 VAL  HN          5.50    (#    696:15  Unique         3.56, 3.64 A)
 &rst
  ixpk= 696, nxpk= 15, iat=1316,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:697      0 AMB  15-1:697    4.50    (#    697:15  Double Ambig)
 &rst
  ixpk= 697, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1343,1344,1345, 578, 579,
 igr2=1351, 531,
 &end
#
#    0 AMB  15-2:698      0 AMB  15-1:698    4.50    (#    698:15  Double Ambig)
 &rst
  ixpk= 698, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1373,1374,1375,1377,1378,1379, 561, 562, 563, 565,
       566, 567,
 igr2=1351, 531,
 &end
#
#    0 AMB  15-2:699     91 VAL  HN          3.50    (#    699:15  Single Ambig)
 &rst
  ixpk= 699, nxpk= 15, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   89 ASP  HA           91 VAL  HN          5.50    (#    700:15  Unique         4.63, 4.68 A)
 &rst
  ixpk= 700, nxpk= 15, iat=1327,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90 THR  HB           91 VAL  HN          4.50    (#    701:15  Unique         2.44, 2.48 A)
 &rst
  ixpk= 701, nxpk= 15, iat=1341,1351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 VAL  HA           91 VAL  HN          4.50    (#    702:15  Unique         2.88, 2.89 A)
 &rst
  ixpk= 702, nxpk= 15, iat=1353,1351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:703      0 AMB  15-1:703    5.50    (#    703:15  Double Ambig)
 &rst
  ixpk= 703, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 600, 601,1318,1319, 473, 472,
 igr2= 531,1351,
 &end
#
#    0 AMB  15-2:704     91 VAL  HN          5.50    (#    704:15  Single Ambig)
 &rst
  ixpk= 704, nxpk= 15, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1287,1288,1289, 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  15-2:706    107 ALA  HN          5.50    (#    706:15  Single Ambig)
 &rst
  ixpk= 706, nxpk= 15, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 325, 326,1604,1605,1552,1553,
 &end
#
#  105 GLN  HN          107 ALA  HN          5.50    (#    707:15  Unique         4.07, 4.15 A)
 &rst
  ixpk= 707, nxpk= 15, iat=1597,1626, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:708    107 ALA  HN          3.50    (#    708:15  Single Ambig)
 &rst
  ixpk= 708, nxpk= 15, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1614,1646,
 &end
#
#  108 ALA  HN          107 ALA  HN          3.50    (#    709:15  Unique         2.64, 2.71 A)
 &rst
  ixpk= 709, nxpk= 15, iat=1636,1626, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  106 ASP  HA          107 ALA  HN          4.50    (#    710:15  Unique         3.55, 3.58 A)
 &rst
  ixpk= 710, nxpk= 15, iat=1616,1626, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107 ALA  HA          107 ALA  HN          3.50    (#    711:15  Unique         2.87, 2.90 A)
 &rst
  ixpk= 711, nxpk= 15, iat=1628,1626, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:712    107 ALA  HN          4.50    (#    712:15  Single Ambig)
 &rst
  ixpk= 712, nxpk= 15, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1561,1638,1230,1231,
 &end
#
#  104 LEU  HA          107 ALA  HN          5.50    (#    713:15  Unique         3.22, 3.37 A)
 &rst
  ixpk= 713, nxpk= 15, iat=1580,1626, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 ASP  HB+         107 ALA  HN          4.50    (#    714:15  Unique         2.59, 3.35 A)
 &rst
  ixpk= 714, nxpk= 15, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1618,1619,
 &end
#
#  106 ASP  HB-         107 ALA  HN          4.50    (#    715:15  Unique         2.59, 3.35 A)
 &rst
  ixpk= 715, nxpk= 15, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1618,1619,
 &end
#
#    0 AMB  15-2:716    107 ALA  HN          5.50    (#    716:15  Single Ambig)
 &rst
  ixpk= 716, nxpk= 15, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1601,1602,1582,1583,
 &end
#
#  105 GLN  HB-         107 ALA  HN          5.50    (#    717:15  Unique         5.00, 5.34 A)
 &rst
  ixpk= 717, nxpk= 15, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1601,1602,
 &end
#
#  107 ALA  MB          107 ALA  HN          2.50    (#    718:15  Unique         2.44, 2.87 A)
 &rst
  ixpk= 718, nxpk= 15, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1630,1631,1632,
 &end
#
#   80 ILE  MG2         107 ALA  HN          5.50    (#    719:15  Unique         3.98, 4.67 A)
 &rst
  ixpk= 719, nxpk= 15, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1215,1216,1217,
 &end
#
#   16 GLU  HG-          17 LEU  HN          5.50    (#    721:15  Unique         3.66, 4.46 A)
 &rst
  ixpk= 721, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 249, 250,
 &end
#
#   18 ALA  HN           17 LEU  HN          4.50    (#    722:15  Unique         2.78, 2.81 A)
 &rst
  ixpk= 722, nxpk= 15, iat= 276, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 GLU  HN           17 LEU  HN          4.50    (#    723:15  Unique         2.73, 2.81 A)
 &rst
  ixpk= 723, nxpk= 15, iat= 242, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 PHE  HZ           17 LEU  HN          5.50    (#    724:15  Unique         4.27, 4.39 A)
 &rst
  ixpk= 724, nxpk= 15, iat= 392, 257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 SER  HN           17 LEU  HN          5.50    (#    725:15  Unique         4.02, 4.08 A)
 &rst
  ixpk= 725, nxpk= 15, iat= 286, 257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HA           17 LEU  HN          5.50    (#    727:15  Unique         3.73, 3.88 A)
 &rst
  ixpk= 727, nxpk= 15, iat= 190, 257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:728     17 LEU  HN          3.50    (#    728:15  Single Ambig)
 &rst
  ixpk= 728, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 259, 212, 244,
 &end
#
#    0 AMB  15-2:729     17 LEU  HN          5.50    (#    729:15  Single Ambig)
 &rst
  ixpk= 729, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 222, 278,
 &end
#
#   16 GLU  HB+          17 LEU  HN          4.50    (#    730:15  Unique         2.36, 3.05 A)
 &rst
  ixpk= 730, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 246, 247,
 &end
#
#   16 GLU  HB-          17 LEU  HN          4.50    (#    731:15  Unique         2.36, 3.05 A)
 &rst
  ixpk= 731, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 246, 247,
 &end
#
#   17 LEU  MDY          17 LEU  HN          4.50    (#    732:15  Unique         3.49, 4.46 A)
 &rst
  ixpk= 732, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 266, 267, 268, 270, 271, 272,
 &end
#
#   13 LYS  HG-          17 LEU  HN          5.50    (#    733:15  Unique         3.89, 4.72 A)
 &rst
  ixpk= 733, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 195, 196,
 &end
#
#    0 AMB  15-2:734     17 LEU  HN          5.50    (#    734:15  Single Ambig)
 &rst
  ixpk= 734, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 224, 225, 214, 215, 216, 173, 174,
 &end
#
#   17 LEU  HB-          17 LEU  HN          4.50    (#    735:15  Unique         2.32, 2.97 A)
 &rst
  ixpk= 735, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   17 LEU  HG           17 LEU  HN          4.50    (#    736:15  Unique         2.40, 2.47 A)
 &rst
  ixpk= 736, nxpk= 15, iat= 264, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 LEU  MDX          17 LEU  HN          4.50    (#    737:15  Unique         3.49, 4.46 A)
 &rst
  ixpk= 737, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 266, 267, 268, 270, 271, 272,
 &end
#
#   51 VAL  MGX          17 LEU  HN          5.50    (#    738:15  Unique         5.70, 7.24 A)
 &rst
  ixpk= 738, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#   61 GLN  HB-          11 LEU  HN          7.00    (#    739:15  Unique         6.09, 6.87 A)
 &rst
  ixpk= 739, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 923, 924,
 &end
#
#    0 AMB  15-2:740    116 GLN  HN          3.50    (#    740:15  Single Ambig)
 &rst
  ixpk= 740, nxpk= 15, iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1742,1732,
 &end
#
#  116 GLN  QG          116 GLN  HN          5.50    (#    741:15  Unique         2.14, 3.67 A)
 &rst
  ixpk= 741, nxpk= 15, iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1747,1748,
 &end
#
#  116 GLN  HB+         116 GLN  HN          5.50    (#    742:15  Unique         2.48, 3.42 A)
 &rst
  ixpk= 742, nxpk= 15, iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1744,1745,
 &end
#
#  116 GLN  HB-         116 GLN  HN          4.50    (#    743:15  Unique         2.48, 3.42 A)
 &rst
  ixpk= 743, nxpk= 15, iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1744,1745,
 &end
#
#  115 ALA  MB          116 GLN  HN          4.50    (#    744:15  Unique         2.07, 3.84 A)
 &rst
  ixpk= 744, nxpk= 15, iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1734,1735,1736,
 &end
#
#  113 ASN  HB+         116 GLN  HN          5.50    (#    746:15  Unique         2.90, 4.96 A)
 &rst
  ixpk= 746, nxpk= 15, iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1706,1707,
 &end
#
#  106 ASP  HN          105 GLN  HN          4.50    (#    747:15  Unique         2.63, 2.70 A)
 &rst
  ixpk= 747, nxpk= 15, iat=1614,1597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104 LEU  HN          105 GLN  HN          4.50    (#    748:15  Unique         2.67, 2.71 A)
 &rst
  ixpk= 748, nxpk= 15, iat=1578,1597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:749    105 GLN  HN          5.50    (#    749:15  Single Ambig)
 &rst
  ixpk= 749, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1609,1610,1626,
 &end
#
#  102 PRO  HA          105 GLN  HN          4.50    (#    750:15  Unique         3.16, 3.48 A)
 &rst
  ixpk= 750, nxpk= 15, iat=1555,1597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 GLN  HA          105 GLN  HN          3.50    (#    751:15  Unique         2.83, 2.86 A)
 &rst
  ixpk= 751, nxpk= 15, iat=1599,1597, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  106 ASP  HB+         105 GLN  HN          5.50    (#    752:15  Unique         4.67, 4.97 A)
 &rst
  ixpk= 752, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1618,1619,
 &end
#
#  105 GLN  HG-         105 GLN  HN          3.50    (#    753:15  Unique         2.27, 3.01 A)
 &rst
  ixpk= 753, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1604,1605,
 &end
#
#    0 AMB  15-2:754    105 GLN  HN          3.50    (#    754:15  Single Ambig)
 &rst
  ixpk= 754, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1601,1602,1582,1583,
 &end
#
#  105 GLN  HB-         105 GLN  HN          3.50    (#    755:15  Unique         2.30, 3.00 A)
 &rst
  ixpk= 755, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1601,1602,
 &end
#
#    0 AMB  15-2:756    105 GLN  HN          4.50    (#    756:15  Single Ambig)
 &rst
  ixpk= 756, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1=1533,1587,1588,1589,1591,1592,1593,1530,1531,1684,
      1685,1684,1685,
 &end
#
#  104 LEU  HB-         105 GLN  HN          4.50    (#    757:15  Unique         2.53, 3.10 A)
 &rst
  ixpk= 757, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1582,1583,
 &end
#
#    0 AMB  15-2:758    105 GLN  HN          5.50    (#    758:15  Single Ambig)
 &rst
  ixpk= 758, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1535,1536,1537,1539,1540,1541,1662,1663,1664,
 &end
#
#    0 AMB  15-2:759    105 GLN  HN          5.50    (#    759:15  Single Ambig)
 &rst
  ixpk= 759, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1766,1767,1768,1770,1771,1772,1568,1569,1570,1572,
      1573,1574,1568,1569,1570,1572,1573,1574,
 &end
#
#    0 AMB  15-2:760    105 GLN  HN          4.50    (#    760:15  Single Ambig)
 &rst
  ixpk= 760, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1585,1587,1588,1589,1591,1592,1593,
 &end
#
#    0 AMB  15-2:761    105 GLN  HN          5.50    (#    761:15  Single Ambig)
 &rst
  ixpk= 761, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1609,1610,1559,
 &end
#
#  104 LEU  HA          105 GLN  HN          5.50    (#    762:15  Unique         3.57, 3.60 A)
 &rst
  ixpk= 762, nxpk= 15, iat=1580,1597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 GLY  HA+          63 GLN  HN          5.50    (#    764:15  Unique         3.76, 4.35 A)
 &rst
  ixpk= 764, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 903, 904,
 &end
#
#   62 LEU  HB+          63 GLN  HN          4.50    (#    765:15  Unique         2.43, 3.10 A)
 &rst
  ixpk= 765, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 940, 941,
 &end
#
#   62 LEU  MDX          63 GLN  HN          5.50    (#    766:15  Unique         3.95, 5.48 A)
 &rst
  ixpk= 766, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  15-2:767     63 GLN  HN          5.50    (#    767:15  Single Ambig)
 &rst
  ixpk= 767, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 926, 927, 893, 894,
 &end
#
#   61 GLN  HN           63 GLN  HN          5.50    (#    768:15  Unique         3.92, 4.04 A)
 &rst
  ixpk= 768, nxpk= 15, iat= 919, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 LYS  HA           11 LEU  HN          5.50    (#    772:15  Unique         5.35, 5.39 A)
 &rst
  ixpk= 772, nxpk= 15, iat= 168, 147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 ALA  HN           11 LEU  HN          3.50    (#    774:15  Unique         2.73, 2.77 A)
 &rst
  ixpk= 774, nxpk= 15, iat= 137, 147, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:775     11 LEU  HN          7.00    (#    775:15  Single Ambig)
 &rst
  ixpk= 775, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 220, 242,
 &end
#
#   13 LYS  HN           11 LEU  HN          5.50    (#    776:15  Unique         4.19, 4.28 A)
 &rst
  ixpk= 776, nxpk= 15, iat= 188, 147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 LYS  HN           11 LEU  HN          4.50    (#    777:15  Unique         2.76, 2.82 A)
 &rst
  ixpk= 777, nxpk= 15, iat= 166, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 ASP  HA           11 LEU  HN          4.50    (#    778:15  Unique         3.11, 3.26 A)
 &rst
  ixpk= 778, nxpk= 15, iat= 117, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:779     11 LEU  HN          4.50    (#    779:15  Single Ambig)
 &rst
  ixpk= 779, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 139,  98, 985,
 &end
#
#   11 LEU  HA           11 LEU  HN          4.50    (#    780:15  Unique         2.84, 2.85 A)
 &rst
  ixpk= 780, nxpk= 15, iat= 149, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 ASP  HB-          11 LEU  HN          5.50    (#    781:15  Unique         5.38, 5.50 A)
 &rst
  ixpk= 781, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 119, 120,
 &end
#
#    0 AMB  15-2:782     11 LEU  HN          4.50    (#    782:15  Single Ambig)
 &rst
  ixpk= 782, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 170, 171, 945, 946, 947, 949, 950, 951,
 &end
#
#   11 LEU  QB           11 LEU  HN          2.50    (#    783:15  Unique         2.27, 2.50 A)
 &rst
  ixpk= 783, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 151, 152,
 &end
#
#   10 ALA  MB           11 LEU  HN          3.50    (#    784:15  Unique         2.71, 3.53 A)
 &rst
  ixpk= 784, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 141, 142, 143,
 &end
#
#   11 LEU  MDX          11 LEU  HN          4.50    (#    785:15  Unique         4.34, 5.17 A)
 &rst
  ixpk= 785, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#    0 AMB  15-2:786     11 LEU  HN          4.50    (#    786:15  Single Ambig)
 &rst
  ixpk= 786, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 105, 106, 107, 109, 110, 111, 156, 157, 158, 160,
       161, 162,
 &end
#
#   12 LYS  HG-          11 LEU  HN          7.00    (#    787:15  Unique         4.84, 6.84 A)
 &rst
  ixpk= 787, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 173, 174,
 &end
#
#  113 ASN  HB-         116 GLN  HN          5.50    (#    789:15  Unique         2.90, 4.96 A)
 &rst
  ixpk= 789, nxpk= 15, iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1706,1707,
 &end
#
#   54 ASP  HN           56 LEU  HN          5.50    (#    790:15  Unique         3.85, 4.05 A)
 &rst
  ixpk= 790, nxpk= 15, iat= 832, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HA           56 LEU  HN          4.50    (#    791:15  Unique         3.23, 3.42 A)
 &rst
  ixpk= 791, nxpk= 15, iat= 846, 859, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  HA           56 LEU  HN          4.50    (#    792:15  Unique         2.80, 3.09 A)
 &rst
  ixpk= 792, nxpk= 15, iat= 815, 859, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 GLY  HA+          56 LEU  HN          5.50    (#    793:15  Unique         3.53, 4.20 A)
 &rst
  ixpk= 793, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 903, 904,
 &end
#
#    0 AMB  15-2:796     63 GLN  HN          5.50    (#    796:15  Single Ambig)
 &rst
  ixpk= 796, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 983,1012,
 &end
#
#   61 GLN  HN           63 GLN  HN          5.50    (#    797:15  Unique         3.92, 4.04 A)
 &rst
  ixpk= 797, nxpk= 15, iat= 919, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 SER  HN           63 GLN  HN          4.50    (#    798:15  Unique         2.69, 2.78 A)
 &rst
  ixpk= 798, nxpk= 15, iat= 972, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 SER  QB           63 GLN  HN          5.50    (#    799:15  Unique         5.30, 5.51 A)
 &rst
  ixpk= 799, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 912, 913,
 &end
#
#    0 AMB  15-2:800     63 GLN  HN          4.50    (#    800:15  Single Ambig)
 &rst
  ixpk= 800, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 938, 976, 977,
 &end
#
#    0 AMB  15-2:801     63 GLN  HN          4.50    (#    801:15  Single Ambig)
 &rst
  ixpk= 801, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 957, 910,
 &end
#
#   63 GLN  HB+          63 GLN  HN          3.50    (#    802:15  Unique         2.05, 2.52 A)
 &rst
  ixpk= 802, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 959, 960,
 &end
#
#    0 AMB  15-2:803     63 GLN  HN          5.50    (#    803:15  Single Ambig)
 &rst
  ixpk= 803, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 987, 988, 989,1016,1017,1018,
 &end
#
#   62 LEU  HB-          63 GLN  HN          4.50    (#    804:15  Unique         2.43, 3.10 A)
 &rst
  ixpk= 804, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 940, 941,
 &end
#
#   53 LEU  MDX          63 GLN  HN          4.50    (#    805:15  Unique         2.51, 4.59 A)
 &rst
  ixpk= 805, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   53 LEU  MDY          63 GLN  HN          4.50    (#    806:15  Unique         2.51, 4.59 A)
 &rst
  ixpk= 806, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   66 LEU  MDY          63 GLN  HN          5.50    (#    807:15  Unique         4.61, 7.16 A)
 &rst
  ixpk= 807, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   91 VAL  HN           92 VAL  HN          4.50    (#    808:15  Unique         2.69, 2.72 A)
 &rst
  ixpk= 808, nxpk= 15, iat=1351,1367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 ASP  HA           92 VAL  HN          5.50    (#    809:15  Unique         3.53, 3.55 A)
 &rst
  ixpk= 809, nxpk= 15, iat=1327,1367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 VAL  HA           92 VAL  HN          4.50    (#    810:15  Unique         2.86, 2.87 A)
 &rst
  ixpk= 810, nxpk= 15, iat=1369,1367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 VAL  HA           92 VAL  HN          5.50    (#    811:15  Unique         3.60, 3.61 A)
 &rst
  ixpk= 811, nxpk= 15, iat=1353,1367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 VAL  HB           92 VAL  HN          4.50    (#    812:15  Unique         2.29, 2.49 A)
 &rst
  ixpk= 812, nxpk= 15, iat=1371,1367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92 VAL  MGY          92 VAL  HN          3.50    (#    813:15  Unique         2.21, 3.81 A)
 &rst
  ixpk= 813, nxpk= 15, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#    0 AMB  15-2:814     92 VAL  HN          4.50    (#    814:15  Single Ambig)
 &rst
  ixpk= 814, nxpk= 15, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   40 LEU  MDX          92 VAL  HN          5.50    (#    815:15  Unique         3.53, 5.01 A)
 &rst
  ixpk= 815, nxpk= 15, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#  107 ALA  HN          109 ALA  HN          5.50    (#    817:15  Unique         3.69, 3.78 A)
 &rst
  ixpk= 817, nxpk= 15, iat=1626,1646, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  110 THR  HN          109 ALA  HN          3.50    (#    818:15  Unique         2.34, 2.50 A)
 &rst
  ixpk= 818, nxpk= 15, iat=1656,1646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  109 ALA  HA          109 ALA  HN          3.50    (#    819:15  Unique         2.84, 2.90 A)
 &rst
  ixpk= 819, nxpk= 15, iat=1648,1646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  104 LEU  HA          109 ALA  HN          5.50    (#    820:15  Unique         3.56, 3.62 A)
 &rst
  ixpk= 820, nxpk= 15, iat=1580,1646, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  109 ALA  MB          109 ALA  HN          3.50    (#    821:15  Unique         2.40, 2.87 A)
 &rst
  ixpk= 821, nxpk= 15, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1650,1651,1652,
 &end
#
#    0 AMB  15-2:822    109 ALA  HN          5.50    (#    822:15  Single Ambig)
 &rst
  ixpk= 822, nxpk= 15, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1587,1588,1589,1591,1592,1593,1585,
 &end
#
#    0 AMB  15-2:824     13 LYS  HN          5.50    (#    824:15  Single Ambig)
 &rst
  ixpk= 824, nxpk= 15, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 137, 127,
 &end
#
#   58 ASP  HN           56 LEU  HN          5.50    (#    825:15  Unique         5.02, 5.23 A)
 &rst
  ixpk= 825, nxpk= 15, iat= 889, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 GLY  HN           56 LEU  HN          5.50    (#    826:15  Unique         4.13, 4.42 A)
 &rst
  ixpk= 826, nxpk= 15, iat= 901, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HN           56 LEU  HN          3.50    (#    827:15  Unique         2.00, 2.24 A)
 &rst
  ixpk= 827, nxpk= 15, iat= 844, 859, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:828     56 LEU  HN          4.50    (#    828:15  Single Ambig)
 &rst
  ixpk= 828, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 861, 903, 904,
 &end
#
#   54 ASP  HA           56 LEU  HN          5.50    (#    829:15  Unique         3.93, 4.18 A)
 &rst
  ixpk= 829, nxpk= 15, iat= 834, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:830     56 LEU  HN          4.50    (#    830:15  Single Ambig)
 &rst
  ixpk= 830, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 848, 849, 851, 852,
 &end
#
#   56 LEU  HG           56 LEU  HN          4.50    (#    831:15  Unique         2.35, 4.37 A)
 &rst
  ixpk= 831, nxpk= 15, iat= 866, 859, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HB+          56 LEU  HN          4.50    (#    832:15  Unique         2.41, 2.54 A)
 &rst
  ixpk= 832, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 863, 864,
 &end
#
#   56 LEU  HB-          56 LEU  HN          3.50    (#    833:15  Unique         2.41, 2.54 A)
 &rst
  ixpk= 833, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 863, 864,
 &end
#
#   53 LEU  MDX          56 LEU  HN          5.50    (#    834:15  Unique         4.51, 6.66 A)
 &rst
  ixpk= 834, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  15-2:835     56 LEU  HN          4.50    (#    835:15  Single Ambig)
 &rst
  ixpk= 835, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 868, 869, 870, 872, 873, 874, 822, 823, 824, 826,
       827, 828,
 &end
#
#    0 AMB  15-2:836     92 VAL  HN          5.50    (#    836:15  Single Ambig)
 &rst
  ixpk= 836, nxpk= 15, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1343,1344,1345,1511,1512,
 &end
#
#   90 THR  HN           92 VAL  HN          5.50    (#    837:15  Unique         4.15, 4.19 A)
 &rst
  ixpk= 837, nxpk= 15, iat=1337,1367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 LEU  HG           92 VAL  HN          7.00    (#    838:15  Unique         6.17, 6.21 A)
 &rst
  ixpk= 838, nxpk= 15, iat= 617,1367, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-2:840    109 ALA  HN          5.50    (#    840:15  Single Ambig)
 &rst
  ixpk= 840, nxpk= 15, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1587,1588,1589,1591,1592,1593,1585,
 &end
#
#  108 ALA  HN          109 ALA  HN          3.50    (#    841:15  Unique         2.70, 2.76 A)
 &rst
  ixpk= 841, nxpk= 15, iat=1636,1646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  107 ALA  HN          109 ALA  HN          5.50    (#    842:15  Unique         3.69, 3.78 A)
 &rst
  ixpk= 842, nxpk= 15, iat=1626,1646, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  108 ALA  HA          109 ALA  HN          3.50    (#    844:15  Unique         2.85, 2.92 A)
 &rst
  ixpk= 844, nxpk= 15, iat=1638,1646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  105 GLN  HA          109 ALA  HN          5.50    (#    845:15  Unique         3.55, 3.81 A)
 &rst
  ixpk= 845, nxpk= 15, iat=1599,1646, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 PRO  HB+         109 ALA  HN          5.50    (#    846:15  Unique         3.54, 4.27 A)
 &rst
  ixpk= 846, nxpk= 15, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 325, 326,
 &end
#
#    0 AMB  15-2:847    109 ALA  HN          5.50    (#    847:15  Single Ambig)
 &rst
  ixpk= 847, nxpk= 15, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 325, 326,1582,1583,
 &end
#
#  110 THR  MG2         109 ALA  HN          5.50    (#    848:15  Unique         4.20, 5.58 A)
 &rst
  ixpk= 848, nxpk= 15, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1662,1663,1664,
 &end
#
#   23 VAL  MGX         109 ALA  HN          5.50    (#    849:15  Unique         4.72, 6.87 A)
 &rst
  ixpk= 849, nxpk= 15, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#  105 GLN  HN          104 LEU  HN          4.50    (#    851:15  Unique         2.67, 2.71 A)
 &rst
  ixpk= 851, nxpk= 15, iat=1597,1578, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103 LEU  HN          104 LEU  HN          4.50    (#    852:15  Unique         2.65, 2.71 A)
 &rst
  ixpk= 852, nxpk= 15, iat=1559,1578, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:853    104 LEU  HN          4.50    (#    853:15  Single Ambig)
 &rst
  ixpk= 853, nxpk= 15, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1528,1561,
 &end
#
#    0 AMB  15-2:854    104 LEU  HN          3.50    (#    854:15  Single Ambig)
 &rst
  ixpk= 854, nxpk= 15, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1582,1583,1563,1564,
 &end
#
#  103 LEU  HB-         104 LEU  HN          3.50    (#    855:15  Unique         2.62, 3.31 A)
 &rst
  ixpk= 855, nxpk= 15, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1563,1564,
 &end
#
#    0 AMB  15-2:856    104 LEU  HN          5.50    (#    856:15  Single Ambig)
 &rst
  ixpk= 856, nxpk= 15, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1535,1536,1537,1539,1540,1541,1662,1663,1664,
 &end
#
#    0 AMB  15-2:857    104 LEU  HN          4.50    (#    857:15  Single Ambig)
 &rst
  ixpk= 857, nxpk= 15, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
      1573,1574,
 &end
#
#    0 AMB  15-2:858    104 LEU  HN          3.50    (#    858:15  Single Ambig)
 &rst
  ixpk= 858, nxpk= 15, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1585,1587,1588,1589,1591,1592,1593,
 &end
#
#  104 LEU  HA          104 LEU  HN          4.50    (#    859:15  Unique         2.86, 2.87 A)
 &rst
  ixpk= 859, nxpk= 15, iat=1580,1578, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:860    104 LEU  HN          5.50    (#    860:15  Single Ambig)
 &rst
  ixpk= 860, nxpk= 15, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1604,1605,1552,1553,
 &end
#
#  103 LEU  HG          104 LEU  HN          5.50    (#    861:15  Unique         3.51, 3.85 A)
 &rst
  ixpk= 861, nxpk= 15, iat=1566,1578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:862    104 LEU  HN          3.50    (#    862:15  Single Ambig)
 &rst
  ixpk= 862, nxpk= 15, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1587,1588,1589,1591,1592,1593,1552,1553,1530,1531,
      
 &end
#
#   11 LEU  HN           13 LYS  HN          5.50    (#    863:15  Unique         4.19, 4.28 A)
 &rst
  ixpk= 863, nxpk= 15, iat= 147, 188, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:864      0 AMB  15-1:864    4.50    (#    864:15  Double Ambig)
 &rst
  ixpk= 864, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 508, 149,
 igr2= 555, 188,
 &end
#
#   38 LYS  HA           37 VAL  HN          5.50    (#    865:15  Unique         5.35, 5.41 A)
 &rst
  ixpk= 865, nxpk= 15, iat= 573, 555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:866     37 VAL  HN          5.50    (#    866:15  Single Ambig)
 &rst
  ixpk= 866, nxpk= 15, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 489, 490, 541, 542,
 &end
#
#   14 ALA  HN           13 LYS  HN          3.50    (#    867:15  Unique         2.76, 2.82 A)
 &rst
  ixpk= 867, nxpk= 15, iat= 210, 188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 LYS  HN           37 VAL  HN          4.50    (#    868:15  Unique         2.74, 2.81 A)
 &rst
  ixpk= 868, nxpk= 15, iat= 571, 555, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 LYS  HN           13 LYS  HN          3.50    (#    869:15  Unique         2.78, 2.82 A)
 &rst
  ixpk= 869, nxpk= 15, iat= 166, 188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TYR  HA           37 VAL  HN          5.50    (#    870:15  Unique         3.92, 4.03 A)
 &rst
  ixpk= 870, nxpk= 15, iat= 487, 555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 ALA  HA           13 LYS  HN          4.50    (#    871:15  Unique         3.12, 3.33 A)
 &rst
  ixpk= 871, nxpk= 15, iat= 139, 188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:872      0 AMB  15-1:872    4.50    (#    872:15  Double Ambig)
 &rst
  ixpk= 872, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 168,1316,
 igr2= 188, 555,
 &end
#
#   37 VAL  HA           37 VAL  HN          4.50    (#    873:15  Unique         2.85, 2.86 A)
 &rst
  ixpk= 873, nxpk= 15, iat= 557, 555, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:874      0 AMB  15-1:874    5.50    (#    874:15  Double Ambig)
 &rst
  ixpk= 874, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 179, 180, 489, 490,
 igr2= 188, 555,
 &end
#
#    0 AMB  15-2:875     37 VAL  HN          5.50    (#    875:15  Single Ambig)
 &rst
  ixpk= 875, nxpk= 15, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1152,1153, 521, 522,
 &end
#
#    0 AMB  15-2:876     37 VAL  HN          3.50    (#    876:15  Single Ambig)
 &rst
  ixpk= 876, nxpk= 15, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 559, 535, 536,
 &end
#
#    0 AMB  15-2:877     13 LYS  HN          2.50    (#    877:15  Single Ambig)
 &rst
  ixpk= 877, nxpk= 15, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 192, 193, 170, 171,
 &end
#
#    0 AMB  15-2:878      0 AMB  15-1:878    4.50    (#    878:15  Double Ambig)
 &rst
  ixpk= 878, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 538, 539, 195, 196, 614, 615,
 igr2= 555, 188,
 &end
#
#    0 AMB  15-2:879     13 LYS  HN          4.50    (#    879:15  Single Ambig)
 &rst
  ixpk= 879, nxpk= 15, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 173, 174, 214, 215, 216, 141, 142, 143, 224, 225,
      
 &end
#
#    0 AMB  15-2:880     13 LYS  HN          4.50    (#    880:15  Single Ambig)
 &rst
  ixpk= 880, nxpk= 15, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 173, 174, 195, 196,
 &end
#
#   37 VAL  MGY          37 VAL  HN          3.50    (#    881:15  Unique         2.24, 3.86 A)
 &rst
  ixpk= 881, nxpk= 15, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#   37 VAL  MGX          37 VAL  HN          3.50    (#    882:15  Unique         2.24, 3.86 A)
 &rst
  ixpk= 882, nxpk= 15, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#   59 GLY  HN           58 ASP  HN          3.50    (#    884:15  Unique         2.24, 2.32 A)
 &rst
  ixpk= 884, nxpk= 15, iat= 901, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 ASP  HA           58 ASP  HN          3.50    (#    885:15  Unique         2.96, 2.97 A)
 &rst
  ixpk= 885, nxpk= 15, iat= 891, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 SER  HA           58 ASP  HN          4.50    (#    887:15  Unique         3.44, 3.50 A)
 &rst
  ixpk= 887, nxpk= 15, iat= 880, 889, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 SER  QB           58 ASP  HN          4.50    (#    888:15  Unique         2.96, 3.70 A)
 &rst
  ixpk= 888, nxpk= 15, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 882, 883,
 &end
#
#   59 GLY  HA+          58 ASP  HN          5.50    (#    889:15  Unique         3.71, 4.12 A)
 &rst
  ixpk= 889, nxpk= 15, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 903, 904,
 &end
#
#   58 ASP  HB-          58 ASP  HN          4.50    (#    890:15  Unique         2.67, 3.07 A)
 &rst
  ixpk= 890, nxpk= 15, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 893, 894,
 &end
#
#   58 ASP  HB+          58 ASP  HN          4.50    (#    891:15  Unique         2.67, 3.07 A)
 &rst
  ixpk= 891, nxpk= 15, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 893, 894,
 &end
#
#   56 LEU  HB+          58 ASP  HN          4.50    (#    892:15  Unique         2.66, 4.06 A)
 &rst
  ixpk= 892, nxpk= 15, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 863, 864,
 &end
#
#   56 LEU  HB-          58 ASP  HN          4.50    (#    893:15  Unique         2.66, 4.06 A)
 &rst
  ixpk= 893, nxpk= 15, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 863, 864,
 &end
#
#   56 LEU  MDX          58 ASP  HN          4.50    (#    894:15  Unique         1.87, 4.30 A)
 &rst
  ixpk= 894, nxpk= 15, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 868, 869, 870, 872, 873, 874,
 &end
#
#   56 LEU  HN           58 ASP  HN          5.50    (#    895:15  Unique         5.02, 5.23 A)
 &rst
  ixpk= 895, nxpk= 15, iat= 859, 889, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 ASP  HA          108 ALA  HN          5.50    (#    896:15  Unique         3.50, 3.59 A)
 &rst
  ixpk= 896, nxpk= 15, iat=1616,1636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  108 ALA  HA          108 ALA  HN          2.50    (#    897:15  Unique         2.20, 2.21 A)
 &rst
  ixpk= 897, nxpk= 15, iat=1638,1636, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  105 GLN  HA          108 ALA  HN          4.50    (#    898:15  Unique         3.13, 3.44 A)
 &rst
  ixpk= 898, nxpk= 15, iat=1599,1636, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:899    108 ALA  HN          3.50    (#    899:15  Single Ambig)
 &rst
  ixpk= 899, nxpk= 15, iat=  -1,1636, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1640,1641,1642,1630,1631,1632,
 &end
#
#    0 AMB  15-2:900    108 ALA  HN          3.50    (#    900:15  Single Ambig)
 &rst
  ixpk= 900, nxpk= 15, iat=  -1,1636, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1646,1614,
 &end
#
#  107 ALA  HN          108 ALA  HN          3.50    (#    901:15  Unique         2.64, 2.71 A)
 &rst
  ixpk= 901, nxpk= 15, iat=1626,1636, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  104 LEU  HA          108 ALA  HN          5.50    (#    902:15  Unique         4.69, 4.84 A)
 &rst
  ixpk= 902, nxpk= 15, iat=1580,1636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 ASP  HB-         108 ALA  HN          5.50    (#    903:15  Unique         4.68, 5.05 A)
 &rst
  ixpk= 903, nxpk= 15, iat=  -1,1636, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1618,1619,
 &end
#
#    0 AMB  15-2:904    108 ALA  HN          5.50    (#    904:15  Single Ambig)
 &rst
  ixpk= 904, nxpk= 15, iat=  -1,1636, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 325, 326,1604,1605,
 &end
#
#    0 AMB  15-2:905    108 ALA  HN          5.50    (#    905:15  Single Ambig)
 &rst
  ixpk= 905, nxpk= 15, iat=  -1,1636, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1601,1602,1582,1583,
 &end
#
#   80 ILE  MG2         108 ALA  HN          5.50    (#    906:15  Unique         6.23, 6.63 A)
 &rst
  ixpk= 906, nxpk= 15, iat=  -1,1636, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1215,1216,1217,
 &end
#
#    0 AMB  15-2:907     66 LEU  HN          5.50    (#    907:15  Single Ambig)
 &rst
  ixpk= 907, nxpk= 15, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 959, 960, 820, 923, 924,
 &end
#
#   63 GLN  HA           66 LEU  HN          4.50    (#    908:15  Unique         3.09, 3.38 A)
 &rst
  ixpk= 908, nxpk= 15, iat= 957, 993, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  HB+          66 LEU  HN          3.50    (#    909:15  Unique         2.07, 2.85 A)
 &rst
  ixpk= 909, nxpk= 15, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 997, 998,
 &end
#
#   66 LEU  HB-          66 LEU  HN          4.50    (#    910:15  Unique         2.07, 2.85 A)
 &rst
  ixpk= 910, nxpk= 15, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 997, 998,
 &end
#
#   68 HIS  HD2          68 HIS  HN          5.50    (#    912:15  Unique         4.16, 4.25 A)
 &rst
  ixpk= 912, nxpk= 15, iat=1035,1022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 TRP  HN           68 HIS  HN          3.50    (#    913:15  Unique         2.74, 2.80 A)
 &rst
  ixpk= 913, nxpk= 15, iat=1039,1022, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 ALA  HN           68 HIS  HN          3.50    (#    914:15  Unique         2.75, 2.82 A)
 &rst
  ixpk= 914, nxpk= 15, iat=1012,1022, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:915     68 HIS  HN          3.50    (#    915:15  Single Ambig)
 &rst
  ixpk= 915, nxpk= 15, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1024, 974,
 &end
#
#    0 AMB  15-2:916     68 HIS  HN          5.50    (#    916:15  Single Ambig)
 &rst
  ixpk= 916, nxpk= 15, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 976, 977, 957,
 &end
#
#   67 ALA  HA           68 HIS  HN          4.50    (#    917:15  Unique         3.56, 3.57 A)
 &rst
  ixpk= 917, nxpk= 15, iat=1014,1022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 HIS  HB+          68 HIS  HN          3.50    (#    918:15  Unique         2.06, 2.45 A)
 &rst
  ixpk= 918, nxpk= 15, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1026,1027,
 &end
#
#   67 ALA  MB           68 HIS  HN          3.50    (#    919:15  Unique         2.37, 3.28 A)
 &rst
  ixpk= 919, nxpk= 15, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1016,1017,1018,
 &end
#
#    7 LEU  MDX          68 HIS  HN          5.50    (#    921:15  Unique         3.87, 5.61 A)
 &rst
  ixpk= 921, nxpk= 15, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#   48 TYR  HD           48 TYR  HN          3.50    (#    923:15  Unique         2.17, 3.82 A)
 &rst
  ixpk= 923, nxpk= 15, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 731, 740,
 &end
#
#    0 AMB  15-2:925     48 TYR  HN          5.50    (#    925:15  Single Ambig)
 &rst
  ixpk= 925, nxpk= 15, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 336, 322, 323,
 &end
#
#    0 AMB  15-2:926     48 TYR  HN          5.50    (#    926:15  Single Ambig)
 &rst
  ixpk= 926, nxpk= 15, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 706, 707, 708, 312, 313, 314,
 &end
#
#   23 VAL  MGX          48 TYR  HN          5.50    (#    927:15  Unique         5.01, 6.45 A)
 &rst
  ixpk= 927, nxpk= 15, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   41 LEU  MDY          48 TYR  HN          5.50    (#    928:15  Unique         4.89, 7.23 A)
 &rst
  ixpk= 928, nxpk= 15, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   49 LYS  HN           48 TYR  HN          5.50    (#    929:15  Unique         4.32, 4.41 A)
 &rst
  ixpk= 929, nxpk= 15, iat= 744, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 SER  HN           48 TYR  HN          5.50    (#    930:15  Unique         3.53, 4.44 A)
 &rst
  ixpk= 930, nxpk= 15, iat= 712, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 TYR  HA           48 TYR  HN          4.50    (#    931:15  Unique         2.90, 2.93 A)
 &rst
  ixpk= 931, nxpk= 15, iat= 725, 723, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 SER  HA           48 TYR  HN          2.50    (#    932:15  Unique         2.26, 2.31 A)
 &rst
  ixpk= 932, nxpk= 15, iat= 714, 723, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:933     48 TYR  HN          3.50    (#    933:15  Single Ambig)
 &rst
  ixpk= 933, nxpk= 15, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 716, 717, 716, 717,
 &end
#
#   48 TYR  HB+          48 TYR  HN          4.50    (#    934:15  Unique         2.65, 3.61 A)
 &rst
  ixpk= 934, nxpk= 15, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 728,
 &end
#
#   48 TYR  HB-          48 TYR  HN          4.50    (#    935:15  Unique         2.65, 3.61 A)
 &rst
  ixpk= 935, nxpk= 15, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 728,
 &end
#
#    0 AMB  15-2:937     48 TYR  HN          5.50    (#    937:15  Single Ambig)
 &rst
  ixpk= 937, nxpk= 15, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 633, 634, 338, 339, 340, 342, 343, 344,
 &end
#
#   14 ALA  HN           12 LYS  HN          5.50    (#    938:15  Unique         4.10, 4.19 A)
 &rst
  ixpk= 938, nxpk= 15, iat= 210, 166, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 TYR  HE           32 GLY  HN          5.50    (#    939:15  Unique         5.24, 6.99 A)
 &rst
  ixpk= 939, nxpk= 15, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 457, 462,
 &end
#
#   31 CYS  HB-          32 GLY  HN          5.50    (#    940:15  Unique         3.14, 3.79 A)
 &rst
  ixpk= 940, nxpk= 15, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 473, 472,
 &end
#
#   33 TYR  HN           32 GLY  HN          5.50    (#    941:15  Unique         2.63, 2.80 A)
 &rst
  ixpk= 941, nxpk= 15, iat= 485, 478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 CYS  HA           32 GLY  HN          3.50    (#    943:15  Unique         2.10, 2.15 A)
 &rst
  ixpk= 943, nxpk= 15, iat= 470, 478, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLY  QA           32 GLY  HN          3.50    (#    944:15  Unique         2.27, 2.55 A)
 &rst
  ixpk= 944, nxpk= 15, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 480, 481,
 &end
#
#   31 CYS  HB+          32 GLY  HN          4.50    (#    945:15  Unique         3.14, 3.79 A)
 &rst
  ixpk= 945, nxpk= 15, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 473, 472,
 &end
#
#   64 SER  HN           66 LEU  HN          5.50    (#    946:15  Unique         4.04, 4.30 A)
 &rst
  ixpk= 946, nxpk= 15, iat= 972, 993, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 ALA  HA           66 LEU  HN          5.50    (#    947:15  Unique         5.37, 5.42 A)
 &rst
  ixpk= 947, nxpk= 15, iat=1014, 993, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:948      0 AMB  15-1:948    2.50    (#    948:15  Double Ambig)
 &rst
  ixpk= 948, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1063, 983,1012,
 igr2=1039, 993,
 &end
#
#   66 LEU  HA            0 AMB  15-1:949    3.50    (#    949:15  Single Ambig)
 &rst
  ixpk= 949, nxpk= 15, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 993,1039,
 &end
#
#    0 AMB  15-2:950     66 LEU  HN          2.50    (#    950:15  Single Ambig)
 &rst
  ixpk= 950, nxpk= 15, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 987, 988, 989,1000,
 &end
#
#   66 LEU  MDX          66 LEU  HN          4.50    (#    951:15  Unique         2.63, 4.21 A)
 &rst
  ixpk= 951, nxpk= 15, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   66 LEU  MDY          66 LEU  HN          4.50    (#    952:15  Unique         2.63, 4.21 A)
 &rst
  ixpk= 952, nxpk= 15, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  15-2:953     88 CYS  HN          5.50    (#    953:15  Single Ambig)
 &rst
  ixpk= 953, nxpk= 15, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
      1362,1363,1357,1358,1359,1361,1362,1363,
 &end
#
#   87 GLY  HA+          88 CYS  HN          4.50    (#    955:15  Unique         2.34, 2.58 A)
 &rst
  ixpk= 955, nxpk= 15, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1309,1310,
 &end
#
#   88 CYS  HB+          88 CYS  HN          4.50    (#    956:15  Unique         2.33, 2.95 A)
 &rst
  ixpk= 956, nxpk= 15, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1318,1319,
 &end
#
#   88 CYS  HB-          88 CYS  HN          4.50    (#    957:15  Unique         2.33, 2.95 A)
 &rst
  ixpk= 957, nxpk= 15, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1318,1319,
 &end
#
#    0 AMB  15-2:958     88 CYS  HN          4.50    (#    958:15  Single Ambig)
 &rst
  ixpk= 958, nxpk= 15, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1149,1150,1152,1153,
 &end
#
#   37 VAL  MGY          88 CYS  HN          5.50    (#    959:15  Unique         3.80, 5.54 A)
 &rst
  ixpk= 959, nxpk= 15, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#   76 PRO  HD-          88 CYS  HN          5.50    (#    960:15  Unique         2.76, 3.90 A)
 &rst
  ixpk= 960, nxpk= 15, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1146,1147,
 &end
#
#    0 AMB  15-2:961     88 CYS  HN          5.50    (#    961:15  Single Ambig)
 &rst
  ixpk= 961, nxpk= 15, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1307,1337,
 &end
#
#    7 LEU  HN            5 GLN  HN          5.50    (#    962:15  Unique         4.01, 4.13 A)
 &rst
  ixpk= 962, nxpk= 15, iat=  96,  64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 SER  HA            5 GLN  HN          5.50    (#    963:15  Unique         3.75, 4.34 A)
 &rst
  ixpk= 963, nxpk= 15, iat=  33,  64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 LYS  HN            5 GLN  HN          5.50    (#    964:15  Unique         2.55, 2.83 A)
 &rst
  ixpk= 964, nxpk= 15, iat=  42,  64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLU  HN            5 GLN  HN          4.50    (#    965:15  Unique         2.52, 2.66 A)
 &rst
  ixpk= 965, nxpk= 15, iat=  81,  64, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLN  HA            5 GLN  HN          3.50    (#    967:15  Unique         2.81, 2.87 A)
 &rst
  ixpk= 967, nxpk= 15, iat=  66,  64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 GLN  QG            5 GLN  HN          4.50    (#    968:15  Unique         2.52, 4.45 A)
 &rst
  ixpk= 968, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  71,  72,
 &end
#
#    0 AMB  15-2:969      5 GLN  HN          5.50    (#    969:15  Single Ambig)
 &rst
  ixpk= 969, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  88,  89,  88,  89,
 &end
#
#    6 GLU  HB-           5 GLN  HN          5.50    (#    970:15  Unique         4.64, 5.47 A)
 &rst
  ixpk= 970, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  85,  86,
 &end
#
#    0 AMB  15-2:971      5 GLN  HN          2.50    (#    971:15  Single Ambig)
 &rst
  ixpk= 971, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=  68,  69,  68,  69,
 &end
#
#    4 LYS  HB-           5 GLN  HN          4.50    (#    972:15  Unique         2.68, 3.51 A)
 &rst
  ixpk= 972, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  46,  47,
 &end
#
#    0 AMB  15-2:973      5 GLN  HN          5.50    (#    973:15  Single Ambig)
 &rst
  ixpk= 973, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  52,  53, 100, 101,
 &end
#
#    4 LYS  HG+           5 GLN  HN          5.50    (#    974:15  Unique         2.69, 4.20 A)
 &rst
  ixpk= 974, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  49,  50,
 &end
#
#   33 TYR  HN           35 ASN  HN          5.50    (#    975:15  Unique         4.08, 4.25 A)
 &rst
  ixpk= 975, nxpk= 15, iat= 485, 517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 CYS  HN           35 ASN  HN          5.50    (#    976:15  Unique         2.50, 2.60 A)
 &rst
  ixpk= 976, nxpk= 15, iat= 506, 517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 ARG  HN           35 ASN  HN          4.50    (#    977:15  Unique         2.81, 2.88 A)
 &rst
  ixpk= 977, nxpk= 15, iat= 531, 517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 ASN  HA           35 ASN  HN          4.50    (#    979:15  Unique         2.82, 2.84 A)
 &rst
  ixpk= 979, nxpk= 15, iat= 519, 517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 CYS  HB+          35 ASN  HN          5.50    (#    980:15  Unique         2.43, 3.09 A)
 &rst
  ixpk= 980, nxpk= 15, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 510, 511,
 &end
#
#   35 ASN  HB+          35 ASN  HN          4.50    (#    981:15  Unique         2.13, 2.58 A)
 &rst
  ixpk= 981, nxpk= 15, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 521, 522,
 &end
#
#    0 AMB  15-2:982     35 ASN  HN          4.50    (#    982:15  Single Ambig)
 &rst
  ixpk= 982, nxpk= 15, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 480, 481, 508,
 &end
#
#    0 AMB  15-2:983     12 LYS  HN          5.50    (#    983:15  Single Ambig)
 &rst
  ixpk= 983, nxpk= 15, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 220, 242,
 &end
#
#   11 LEU  MDX          12 LYS  HN          5.50    (#    984:15  Unique         2.90, 4.77 A)
 &rst
  ixpk= 984, nxpk= 15, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   11 LEU  HN           12 LYS  HN          3.50    (#    985:15  Unique         2.76, 2.82 A)
 &rst
  ixpk= 985, nxpk= 15, iat= 147, 166, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:986     12 LYS  HN          5.50    (#    986:15  Single Ambig)
 &rst
  ixpk= 986, nxpk= 15, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 137, 127,
 &end
#
#   13 LYS  HN           12 LYS  HN          4.50    (#    987:15  Unique         2.78, 2.82 A)
 &rst
  ixpk= 987, nxpk= 15, iat= 188, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 ASP  HA           12 LYS  HN          5.50    (#    988:15  Unique         3.88, 4.02 A)
 &rst
  ixpk= 988, nxpk= 15, iat= 117, 166, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 ALA  HA           12 LYS  HN          4.50    (#    989:15  Unique         3.21, 3.31 A)
 &rst
  ixpk= 989, nxpk= 15, iat= 129, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HA           12 LYS  HN          4.50    (#    990:15  Unique         3.61, 3.62 A)
 &rst
  ixpk= 990, nxpk= 15, iat= 149, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 LYS  HA           12 LYS  HN          3.50    (#    991:15  Unique         2.82, 2.84 A)
 &rst
  ixpk= 991, nxpk= 15, iat= 168, 166, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 LYS  QB           12 LYS  HN          2.50    (#    992:15  Unique         2.30, 2.62 A)
 &rst
  ixpk= 992, nxpk= 15, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 170, 171,
 &end
#
#   11 LEU  QB           12 LYS  HN          3.50    (#    993:15  Unique         2.44, 3.38 A)
 &rst
  ixpk= 993, nxpk= 15, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 151, 152,
 &end
#
#    0 AMB  15-2:994     12 LYS  HN          4.50    (#    994:15  Single Ambig)
 &rst
  ixpk= 994, nxpk= 15, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 173, 174, 154,
 &end
#
#   12 LYS  HG-          12 LYS  HN          4.50    (#    995:15  Unique         2.38, 4.14 A)
 &rst
  ixpk= 995, nxpk= 15, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 173, 174,
 &end
#
#   11 LEU  MDY          12 LYS  HN          5.50    (#    996:15  Unique         2.90, 4.77 A)
 &rst
  ixpk= 996, nxpk= 15, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   68 HIS  HN           69 TRP  HN          3.50    (#    998:15  Unique         2.74, 2.80 A)
 &rst
  ixpk= 998, nxpk= 15, iat=1022,1039, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 TRP  HD1          69 TRP  HN          5.50    (#    999:15  Unique         4.86, 4.91 A)
 &rst
  ixpk= 999, nxpk= 15, iat=1047,1039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 TRP  HE3          69 TRP  HN          5.50    (#   1000:15  Unique         4.51, 4.68 A)
 &rst
  ixpk= 1000, nxpk= 15, iat=1058,1039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1001    69 TRP  HN          5.50    (#   1001:15  Single Ambig)
 &rst
  ixpk= 1001, nxpk= 15, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1014,1110,1111,
 &end
#
#   71 GLY  HN           69 TRP  HN          5.50    (#   1002:15  Unique         3.88, 4.04 A)
 &rst
  ixpk= 1002, nxpk= 15, iat=1077,1039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 HIS  HD2          69 TRP  HN          5.50    (#   1003:15  Unique         2.71, 2.82 A)
 &rst
  ixpk= 1003, nxpk= 15, iat=1035,1039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 HIS  HA           69 TRP  HN          4.50    (#   1005:15  Unique         3.57, 3.59 A)
 &rst
  ixpk= 1005, nxpk= 15, iat=1024,1039, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1006    69 TRP  HN          2.50    (#   1006:15  Single Ambig)
 &rst
  ixpk= 1006, nxpk= 15, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1043,1044,1026,1027,
 &end
#
#    0 AMB  15-2:1007     0 AMB  15-1:1007   4.50    (#   1007:15  Double Ambig)
 &rst
  ixpk= 1007, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 156, 157, 158, 160, 161, 162,1568,1569,1570,1572,
      1573,1574,1568,1569,1570,1572,1573,1574,
 igr2=1039,1209,
 &end
#
#    0 AMB  15-2:1008     0 AMB  15-1:1008   4.50    (#   1008:15  Double Ambig)
 &rst
  ixpk= 1008, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 156, 157, 158, 160, 161, 162,1215,1216,1217, 105,
       106, 107, 109, 110, 111,
 igr2=1039,1209,
 &end
#
#   79 PHE  HB-          80 ILE  HN          5.50    (#   1009:15  Unique         2.86, 3.51 A)
 &rst
  ixpk= 1009, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#   81 GLY  HN           80 ILE  HN          5.50    (#   1010:15  Unique         4.22, 4.23 A)
 &rst
  ixpk= 1010, nxpk= 15, iat=1228,1209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PHE  HN           80 ILE  HN          5.50    (#   1011:15  Unique         4.36, 4.38 A)
 &rst
  ixpk= 1011, nxpk= 15, iat=1189,1209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83 LYS  HN           80 ILE  HN          4.50    (#   1012:15  Unique         2.75, 2.81 A)
 &rst
  ixpk= 1012, nxpk= 15, iat=1242,1209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 PHE  HD           80 ILE  HN          5.50    (#   1013:15  Unique         4.18, 4.95 A)
 &rst
  ixpk= 1013, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1197,1205,
 &end
#
#   79 PHE  HA           80 ILE  HN          3.50    (#   1014:15  Unique         2.25, 2.26 A)
 &rst
  ixpk= 1014, nxpk= 15, iat=1191,1209, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 ILE  HA           80 ILE  HN          4.50    (#   1015:15  Unique         2.92, 2.94 A)
 &rst
  ixpk= 1015, nxpk= 15, iat=1211,1209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84 GLN  HA           80 ILE  HN          5.50    (#   1016:15  Unique         3.87, 4.05 A)
 &rst
  ixpk= 1016, nxpk= 15, iat=1266,1209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83 LYS  QB           80 ILE  HN          5.50    (#   1017:15  Unique         3.62, 4.74 A)
 &rst
  ixpk= 1017, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1246,1247,
 &end
#
#   85 ILE  HG1-         80 ILE  HN          4.50    (#   1018:15  Unique         2.27, 2.97 A)
 &rst
  ixpk= 1018, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1291,1292,
 &end
#
#   80 ILE  HB           80 ILE  HN          4.50    (#   1019:15  Unique         2.84, 2.87 A)
 &rst
  ixpk= 1019, nxpk= 15, iat=1213,1209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   85 ILE  HG1+         80 ILE  HN          4.50    (#   1020:15  Unique         2.27, 2.97 A)
 &rst
  ixpk= 1020, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1291,1292,
 &end
#
#   85 ILE  MD1          80 ILE  HN          4.50    (#   1021:15  Unique         2.13, 3.76 A)
 &rst
  ixpk= 1021, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1294,1295,1296,
 &end
#
#    0 AMB  15-2:1023    88 CYS  HN          4.50    (#   1023:15  Single Ambig)
 &rst
  ixpk= 1023, nxpk= 15, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1309,1310,1146,1147,
 &end
#
#   35 ASN  HA           39 GLN  HN          5.50    (#   1024:15  Unique         3.84, 3.92 A)
 &rst
  ixpk= 1024, nxpk= 15, iat= 519, 593, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 LEU  HN           39 GLN  HN          4.50    (#   1025:15  Unique         2.71, 2.77 A)
 &rst
  ixpk= 1025, nxpk= 15, iat= 610, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 GLN  HA           39 GLN  HN          4.50    (#   1026:15  Unique         2.84, 2.86 A)
 &rst
  ixpk= 1026, nxpk= 15, iat= 595, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1027    39 GLN  HN          5.50    (#   1027:15  Single Ambig)
 &rst
  ixpk= 1027, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 584, 585, 521, 522,
 &end
#
#   39 GLN  HG+          39 GLN  HN          4.50    (#   1028:15  Unique         2.20, 3.06 A)
 &rst
  ixpk= 1028, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 600, 601,
 &end
#
#   39 GLN  HG-          39 GLN  HN          4.50    (#   1029:15  Unique         2.20, 3.06 A)
 &rst
  ixpk= 1029, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 600, 601,
 &end
#
#    0 AMB  15-2:1030    39 GLN  HN          2.50    (#   1030:15  Single Ambig)
 &rst
  ixpk= 1030, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 597, 598, 575, 576,
 &end
#
#   38 LYS  HB-          39 GLN  HN          4.50    (#   1031:15  Unique         2.41, 3.08 A)
 &rst
  ixpk= 1031, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 575, 576,
 &end
#
#    0 AMB  15-2:1032    39 GLN  HN          5.50    (#   1032:15  Single Ambig)
 &rst
  ixpk= 1032, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 555, 526, 527,
 &end
#
#   37 VAL  HA           39 GLN  HN          5.50    (#   1033:15  Unique         4.51, 4.59 A)
 &rst
  ixpk= 1033, nxpk= 15, iat= 557, 593, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 LYS  HA           39 GLN  HN          4.50    (#   1034:15  Unique         3.61, 3.63 A)
 &rst
  ixpk= 1034, nxpk= 15, iat= 573, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 LYS  HD-          39 GLN  HN          5.50    (#   1035:15  Unique         4.64, 5.59 A)
 &rst
  ixpk= 1035, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 581, 582,
 &end
#
#    0 AMB  15-2:1036    39 GLN  HN          4.50    (#   1036:15  Single Ambig)
 &rst
  ixpk= 1036, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 581, 582, 614, 615, 538, 539,
 &end
#
#   38 LYS  HG+          39 GLN  HN          5.50    (#   1037:15  Unique         4.19, 4.84 A)
 &rst
  ixpk= 1037, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 578, 579,
 &end
#
#    0 AMB  15-2:1038    39 GLN  HN          5.50    (#   1038:15  Single Ambig)
 &rst
  ixpk= 1038, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 633, 634, 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  15-2:1039    47 SER  HN          4.50    (#   1039:15  Single Ambig)
 &rst
  ixpk= 1039, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 702,1646,
 &end
#
#  109 ALA  MB           47 SER  HN          4.50    (#   1040:15  Unique         2.53, 3.88 A)
 &rst
  ixpk= 1040, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1650,1651,1652,
 &end
#
#   46 ALA  MB           47 SER  HN          3.50    (#   1041:15  Unique         2.69, 3.69 A)
 &rst
  ixpk= 1041, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 706, 707, 708,
 &end
#
#    0 AMB  15-2:1042    47 SER  HN          5.50    (#   1042:15  Single Ambig)
 &rst
  ixpk= 1042, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 338, 339, 340, 342, 343, 344, 633, 634,
 &end
#
#  104 LEU  MDX          47 SER  HN          5.50    (#   1043:15  Unique         4.27, 6.25 A)
 &rst
  ixpk= 1043, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1587,1588,1589,1591,1592,1593,
 &end
#
#   48 TYR  HN           47 SER  HN          5.50    (#   1044:15  Unique         3.53, 4.44 A)
 &rst
  ixpk= 1044, nxpk= 15, iat= 723, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 TYR  HD           47 SER  HN          5.50    (#   1045:15  Unique         4.29, 6.42 A)
 &rst
  ixpk= 1045, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 731, 740,
 &end
#
#    0 AMB  15-2:1046    47 SER  HN          2.50    (#   1046:15  Single Ambig)
 &rst
  ixpk= 1046, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 704, 714,
 &end
#
#    0 AMB  15-2:1047    47 SER  HN          4.50    (#   1047:15  Single Ambig)
 &rst
  ixpk= 1047, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1648,1658,
 &end
#
#    0 AMB  15-2:1048    47 SER  HN          3.50    (#   1048:15  Single Ambig)
 &rst
  ixpk= 1048, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 716, 717, 716, 717,
 &end
#
#  110 THR  MG2          47 SER  HN          5.50    (#   1049:15  Unique         3.71, 4.96 A)
 &rst
  ixpk= 1049, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1662,1663,1664,
 &end
#
#   23 VAL  MGX          47 SER  HN          5.50    (#   1050:15  Unique         4.10, 6.12 A)
 &rst
  ixpk= 1050, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   56 LEU  HB-          55 GLU  HN          5.50    (#   1052:15  Unique         4.02, 4.42 A)
 &rst
  ixpk= 1052, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 863, 864,
 &end
#
#   53 LEU  MDX          55 GLU  HN          5.50    (#   1053:15  Unique         5.42, 7.25 A)
 &rst
  ixpk= 1053, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   54 ASP  HB-          55 GLU  HN          5.50    (#   1054:15  Unique         2.98, 3.65 A)
 &rst
  ixpk= 1054, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 836, 837,
 &end
#
#    0 AMB  15-2:1055    55 GLU  HN          4.50    (#   1055:15  Single Ambig)
 &rst
  ixpk= 1055, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 802, 803, 863, 864, 817, 818,
 &end
#
#   53 LEU  HN           55 GLU  HN          5.50    (#   1056:15  Unique         4.25, 4.50 A)
 &rst
  ixpk= 1056, nxpk= 15, iat= 813, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 ASP  HN           55 GLU  HN          4.50    (#   1057:15  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1057, nxpk= 15, iat= 832, 844, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HN           55 GLU  HN          3.50    (#   1058:15  Unique         2.00, 2.24 A)
 &rst
  ixpk= 1058, nxpk= 15, iat= 859, 844, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 ASP  HA           55 GLU  HN          5.50    (#   1059:15  Unique         3.48, 3.52 A)
 &rst
  ixpk= 1059, nxpk= 15, iat= 834, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HA           55 GLU  HN          4.50    (#   1060:15  Unique         2.92, 2.97 A)
 &rst
  ixpk= 1060, nxpk= 15, iat= 846, 844, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1061    55 GLU  HN          3.50    (#   1061:15  Single Ambig)
 &rst
  ixpk= 1061, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 848, 849, 851, 852,
 &end
#
#   55 GLU  HB-          55 GLU  HN          3.50    (#   1062:15  Unique         2.34, 2.92 A)
 &rst
  ixpk= 1062, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 848, 849,
 &end
#
#    0 AMB  15-2:1063    55 GLU  HN          5.50    (#   1063:15  Single Ambig)
 &rst
  ixpk= 1063, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 418, 419, 817, 818, 421, 422,
 &end
#
#   29 THR  MG2          55 GLU  HN          5.50    (#   1064:15  Unique         2.88, 4.12 A)
 &rst
  ixpk= 1064, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 439, 440, 441,
 &end
#
#    0 AMB  15-2:1065    55 GLU  HN          5.50    (#   1065:15  Single Ambig)
 &rst
  ixpk= 1065, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 868, 869, 870, 872, 873, 874, 822, 823, 824, 826,
       827, 828,
 &end
#
#    0 AMB  15-2:1066    55 GLU  HN          5.50    (#   1066:15  Single Ambig)
 &rst
  ixpk= 1066, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 861, 903, 904,
 &end
#
#   53 LEU  HA           55 GLU  HN          5.50    (#   1067:15  Unique         3.54, 3.85 A)
 &rst
  ixpk= 1067, nxpk= 15, iat= 815, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 ASP  HB+          55 GLU  HN          5.50    (#   1068:15  Unique         2.98, 3.65 A)
 &rst
  ixpk= 1068, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 836, 837,
 &end
#
#   56 LEU  HB-          55 GLU  HN          5.50    (#   1069:15  Unique         4.02, 4.42 A)
 &rst
  ixpk= 1069, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 863, 864,
 &end
#
#   37 VAL  HA           41 LEU  HN          5.50    (#   1070:15  Unique         3.82, 3.89 A)
 &rst
  ixpk= 1070, nxpk= 15, iat= 557, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 LEU  MDX          41 LEU  HN          5.50    (#   1071:15  Unique         3.19, 5.37 A)
 &rst
  ixpk= 1071, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   43 GLN  HN           41 LEU  HN          5.50    (#   1072:15  Unique         4.06, 4.19 A)
 &rst
  ixpk= 1072, nxpk= 15, iat= 662, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 THR  HN           41 LEU  HN          4.50    (#   1073:15  Unique         2.64, 2.69 A)
 &rst
  ixpk= 1073, nxpk= 15, iat= 648, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 LEU  HN           41 LEU  HN          4.50    (#   1074:15  Unique         2.72, 2.77 A)
 &rst
  ixpk= 1074, nxpk= 15, iat= 610, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1075    41 LEU  HN          5.50    (#   1075:15  Single Ambig)
 &rst
  ixpk= 1075, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 652, 650,
 &end
#
#   40 LEU  HA           41 LEU  HN          4.50    (#   1076:15  Unique         3.57, 3.58 A)
 &rst
  ixpk= 1076, nxpk= 15, iat= 612, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 LEU  HA           41 LEU  HN          4.50    (#   1077:15  Unique         2.85, 2.87 A)
 &rst
  ixpk= 1077, nxpk= 15, iat= 631, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 LYS  HA           41 LEU  HN          5.50    (#   1078:15  Unique         3.66, 3.78 A)
 &rst
  ixpk= 1078, nxpk= 15, iat= 573, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1079    41 LEU  HN          5.50    (#   1079:15  Single Ambig)
 &rst
  ixpk= 1079, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 666, 667, 600, 601,
 &end
#
#    0 AMB  15-2:1080    41 LEU  HN          2.50    (#   1080:15  Single Ambig)
 &rst
  ixpk= 1080, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 614, 615, 636,
 &end
#
#   41 LEU  HB+          41 LEU  HN          4.50    (#   1081:15  Unique         2.15, 2.93 A)
 &rst
  ixpk= 1081, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 633, 634,
 &end
#
#   37 VAL  MGY          41 LEU  HN          5.50    (#   1082:15  Unique         4.32, 5.79 A)
 &rst
  ixpk= 1082, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#   41 LEU  HB-          41 LEU  HN          3.50    (#   1083:15  Unique         2.15, 2.93 A)
 &rst
  ixpk= 1083, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 633, 634,
 &end
#
#   41 LEU  MDX          41 LEU  HN          4.50    (#   1084:15  Unique         2.50, 4.28 A)
 &rst
  ixpk= 1084, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   41 LEU  MDY          41 LEU  HN          4.50    (#   1085:15  Unique         2.50, 4.28 A)
 &rst
  ixpk= 1085, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  15-2:1086    41 LEU  HN          5.50    (#   1086:15  Single Ambig)
 &rst
  ixpk= 1086, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 733, 738, 731, 740,
 &end
#
#    0 AMB  15-2:1087    60 SER  HN          5.50    (#   1087:15  Single Ambig)
 &rst
  ixpk= 1087, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 936, 955,
 &end
#
#   61 GLN  HN           60 SER  HN          4.50    (#   1088:15  Unique         2.78, 2.93 A)
 &rst
  ixpk= 1088, nxpk= 15, iat= 919, 908, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 ASP  HA           60 SER  HN          5.50    (#   1089:15  Unique         3.72, 4.12 A)
 &rst
  ixpk= 1089, nxpk= 15, iat= 891, 908, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 SER  QB           60 SER  HN          4.50    (#   1090:15  Unique         2.66, 3.11 A)
 &rst
  ixpk= 1090, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 912, 913,
 &end
#
#   60 SER  HA           60 SER  HN          3.50    (#   1091:15  Unique         2.76, 2.78 A)
 &rst
  ixpk= 1091, nxpk= 15, iat= 910, 908, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 GLY  HA+          60 SER  HN          5.50    (#   1092:15  Unique         2.58, 3.19 A)
 &rst
  ixpk= 1092, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 903, 904,
 &end
#
#   59 GLY  HN           60 SER  HN          4.50    (#   1093:15  Unique         2.98, 3.18 A)
 &rst
  ixpk= 1093, nxpk= 15, iat= 901, 908, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 ASP  HA           60 SER  HN          5.50    (#   1095:15  Unique         5.51, 5.55 A)
 &rst
  ixpk= 1095, nxpk= 15, iat= 834, 908, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1096    60 SER  HN          5.50    (#   1096:15  Single Ambig)
 &rst
  ixpk= 1096, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 923, 924, 959, 960, 820,
 &end
#
#    0 AMB  15-2:1097    94 LYS  HN          5.50    (#   1097:15  Single Ambig)
 &rst
  ixpk= 1097, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1511,1512,1343,1344,1345,
 &end
#
#    0 AMB  15-2:1098    94 LYS  HN          5.50    (#   1098:15  Single Ambig)
 &rst
  ixpk= 1098, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1437,1492,
 &end
#
#   94 LYS  HA           94 LYS  HN          3.50    (#   1099:15  Unique         2.85, 2.87 A)
 &rst
  ixpk= 1099, nxpk= 15, iat=1400,1398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   92 VAL  HA           94 LYS  HN          5.50    (#   1100:15  Unique         4.63, 4.70 A)
 &rst
  ixpk= 1100, nxpk= 15, iat=1369,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91 VAL  HA           94 LYS  HN          5.50    (#   1101:15  Unique         3.22, 3.28 A)
 &rst
  ixpk= 1101, nxpk= 15, iat=1353,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 HIS  HB+          94 LYS  HN          5.50    (#   1102:15  Unique         4.88, 5.15 A)
 &rst
  ixpk= 1102, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1424,1425,
 &end
#
#    0 AMB  15-2:1103    94 LYS  HN          5.50    (#   1103:15  Single Ambig)
 &rst
  ixpk= 1103, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1411,1412,1411,1412,
 &end
#
#   93 GLU  HG+          94 LYS  HN          5.50    (#   1104:15  Unique         3.29, 4.25 A)
 &rst
  ixpk= 1104, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1390,1391,
 &end
#
#    0 AMB  15-2:1105    94 LYS  HN          3.50    (#   1105:15  Single Ambig)
 &rst
  ixpk= 1105, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1387,1388,1402,1403,
 &end
#
#   99 GLU  HB-          94 LYS  HN          5.50    (#   1106:15  Unique         5.18, 6.05 A)
 &rst
  ixpk= 1106, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1496,1497,
 &end
#
#   94 LYS  QG           94 LYS  HN          3.50    (#   1107:15  Unique         2.25, 2.96 A)
 &rst
  ixpk= 1107, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1405,1406,
 &end
#
#   94 LYS  HB-          94 LYS  HN          4.50    (#   1108:15  Unique         2.40, 3.02 A)
 &rst
  ixpk= 1108, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1402,1403,
 &end
#
#   92 VAL  MGX          94 LYS  HN          5.50    (#   1109:15  Unique         5.28, 6.66 A)
 &rst
  ixpk= 1109, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#    0 AMB  15-2:1110    94 LYS  HN          4.50    (#   1110:15  Single Ambig)
 &rst
  ixpk= 1110, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
      1362,1363,1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  15-2:1111    94 LYS  HN          5.50    (#   1111:15  Single Ambig)
 &rst
  ixpk= 1111, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 619, 620, 621, 623, 624, 625,1287,1288,1289,
 &end
#
#   95 HIS  HA           94 LYS  HN          5.50    (#   1112:15  Unique         5.33, 5.38 A)
 &rst
  ixpk= 1112, nxpk= 15, iat=1422,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1113    94 LYS  HN          7.00    (#   1113:15  Single Ambig)
 &rst
  ixpk= 1113, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1509,1327,
 &end
#
#   95 HIS  HB-          94 LYS  HN          5.50    (#   1114:15  Unique         4.88, 5.15 A)
 &rst
  ixpk= 1114, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1424,1425,
 &end
#
#    0 AMB  15-2:1115    41 LEU  HN          5.50    (#   1115:15  Single Ambig)
 &rst
  ixpk= 1115, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 597, 598, 575, 576, 559,1355,
 &end
#
#   89 ASP  HN           90 THR  HN          4.50    (#   1117:15  Unique         2.78, 2.82 A)
 &rst
  ixpk= 1117, nxpk= 15, iat=1325,1337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 GLY  HA+          90 THR  HN          5.50    (#   1119:15  Unique         4.45, 5.18 A)
 &rst
  ixpk= 1119, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1302,1303,
 &end
#
#   89 ASP  HA           90 THR  HN          4.50    (#   1120:15  Unique         3.59, 3.59 A)
 &rst
  ixpk= 1120, nxpk= 15, iat=1327,1337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 THR  HA           90 THR  HN          4.50    (#   1121:15  Unique         2.82, 2.83 A)
 &rst
  ixpk= 1121, nxpk= 15, iat=1339,1337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 THR  HB           90 THR  HN          3.50    (#   1122:15  Unique         2.71, 2.75 A)
 &rst
  ixpk= 1122, nxpk= 15, iat=1341,1337, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   89 ASP  HB+          90 THR  HN          4.50    (#   1123:15  Unique         2.69, 3.42 A)
 &rst
  ixpk= 1123, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1329,1330,
 &end
#
#   89 ASP  HB-          90 THR  HN          4.50    (#   1124:15  Unique         2.69, 3.42 A)
 &rst
  ixpk= 1124, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1329,1330,
 &end
#
#    0 AMB  15-2:1125    90 THR  HN          5.50    (#   1125:15  Single Ambig)
 &rst
  ixpk= 1125, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1387,1388,1355,
 &end
#
#   90 THR  MG2          90 THR  HN          4.50    (#   1126:15  Unique         4.23, 4.46 A)
 &rst
  ixpk= 1126, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1343,1344,1345,
 &end
#
#    0 AMB  15-2:1127    90 THR  HN          5.50    (#   1127:15  Single Ambig)
 &rst
  ixpk= 1127, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1373,1374,1375,1377,1378,1379, 561, 562, 563, 565,
       566, 567,
 &end
#
#    0 AMB  15-2:1128    90 THR  HN          5.50    (#   1128:15  Single Ambig)
 &rst
  ixpk= 1128, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   88 CYS  HN           90 THR  HN          5.50    (#   1129:15  Unique         4.23, 4.27 A)
 &rst
  ixpk= 1129, nxpk= 15, iat=1314,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 GLN  HN           42 THR  HN          3.50    (#   1130:15  Unique         2.71, 2.80 A)
 &rst
  ixpk= 1130, nxpk= 15, iat= 662, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 LEU  HN           42 THR  HN          4.50    (#   1131:15  Unique         2.64, 2.69 A)
 &rst
  ixpk= 1131, nxpk= 15, iat= 629, 648, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1132    42 THR  HN          4.50    (#   1132:15  Single Ambig)
 &rst
  ixpk= 1132, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 610, 679,
 &end
#
#   48 TYR  HE           42 THR  HN          4.50    (#   1133:15  Unique         3.09, 4.72 A)
 &rst
  ixpk= 1133, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 733, 738,
 &end
#
#   42 THR  HB           42 THR  HN          3.50    (#   1135:15  Unique         2.45, 2.51 A)
 &rst
  ixpk= 1135, nxpk= 15, iat= 652, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 GLN  HA           42 THR  HN          4.50    (#   1136:15  Unique         3.22, 3.33 A)
 &rst
  ixpk= 1136, nxpk= 15, iat= 595, 648, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 LEU  HA           42 THR  HN          5.50    (#   1137:15  Unique         3.57, 3.59 A)
 &rst
  ixpk= 1137, nxpk= 15, iat= 631, 648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 LYS  HA           42 THR  HN          5.50    (#   1138:15  Unique         3.97, 4.06 A)
 &rst
  ixpk= 1138, nxpk= 15, iat= 573, 648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1139    42 THR  HN          5.50    (#   1139:15  Single Ambig)
 &rst
  ixpk= 1139, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 666, 667, 600, 601,
 &end
#
#    0 AMB  15-2:1140    42 THR  HN          5.50    (#   1140:15  Single Ambig)
 &rst
  ixpk= 1140, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 575, 576, 597, 598,
 &end
#
#    0 AMB  15-2:1141    42 THR  HN          4.50    (#   1141:15  Single Ambig)
 &rst
  ixpk= 1141, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 636, 614, 615,
 &end
#
#    0 AMB  15-2:1142    42 THR  HN          4.50    (#   1142:15  Single Ambig)
 &rst
  ixpk= 1142, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 654, 655, 656, 706, 707, 708, 619, 620, 621, 623,
       624, 625,
 &end
#
#   41 LEU  HB-          42 THR  HN          4.50    (#   1143:15  Unique         2.60, 3.15 A)
 &rst
  ixpk= 1143, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 633, 634,
 &end
#
#   41 LEU  MDX          42 THR  HN          5.50    (#   1144:15  Unique         4.83, 5.71 A)
 &rst
  ixpk= 1144, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   41 LEU  MDY          42 THR  HN          5.50    (#   1145:15  Unique         4.83, 5.71 A)
 &rst
  ixpk= 1145, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  15-2:1146    42 THR  HN          5.50    (#   1146:15  Single Ambig)
 &rst
  ixpk= 1146, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 669, 670, 600, 601,
 &end
#
#   52 GLU  HB-          29 THR  HN          5.50    (#   1147:15  Unique         3.25, 4.34 A)
 &rst
  ixpk= 1147, nxpk= 15, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 802, 803,
 &end
#
#   28 LYS  HB-          29 THR  HN          5.50    (#   1148:15  Unique         2.08, 2.97 A)
 &rst
  ixpk= 1148, nxpk= 15, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 415, 416,
 &end
#
#   29 THR  HB           29 THR  HN          5.50    (#   1150:15  Unique         3.40, 3.43 A)
 &rst
  ixpk= 1150, nxpk= 15, iat= 437, 433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 THR  HA           29 THR  HN          5.50    (#   1151:15  Unique         2.77, 2.82 A)
 &rst
  ixpk= 1151, nxpk= 15, iat= 435, 433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 GLU  HB+          29 THR  HN          5.50    (#   1152:15  Unique         3.25, 4.34 A)
 &rst
  ixpk= 1152, nxpk= 15, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 802, 803,
 &end
#
#   29 THR  MG2          29 THR  HN          4.50    (#   1153:15  Unique         2.40, 3.32 A)
 &rst
  ixpk= 1153, nxpk= 15, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 439, 440, 441,
 &end
#
#   28 LYS  HA           29 THR  HN          4.50    (#   1154:15  Unique         2.34, 2.53 A)
 &rst
  ixpk= 1154, nxpk= 15, iat= 413, 433, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 THR  HN           89 ASP  HN          4.50    (#   1155:15  Unique         2.78, 2.82 A)
 &rst
  ixpk= 1155, nxpk= 15, iat=1337,1325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 ASP  HA           89 ASP  HN          4.50    (#   1157:15  Unique         2.81, 2.82 A)
 &rst
  ixpk= 1157, nxpk= 15, iat=1327,1325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1158    89 ASP  HN          5.50    (#   1158:15  Single Ambig)
 &rst
  ixpk= 1158, nxpk= 15, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1146,1147,1339,
 &end
#
#   90 THR  HB           89 ASP  HN          5.50    (#   1159:15  Unique         5.24, 5.32 A)
 &rst
  ixpk= 1159, nxpk= 15, iat=1341,1325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 CYS  HA           89 ASP  HN          5.50    (#   1160:15  Unique         3.58, 3.59 A)
 &rst
  ixpk= 1160, nxpk= 15, iat=1316,1325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 CYS  HB+          89 ASP  HN          4.50    (#   1161:15  Unique         2.46, 3.48 A)
 &rst
  ixpk= 1161, nxpk= 15, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1318,1319,
 &end
#
#   89 ASP  HB+          89 ASP  HN          4.50    (#   1162:15  Unique         2.47, 2.51 A)
 &rst
  ixpk= 1162, nxpk= 15, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1329,1330,
 &end
#
#   89 ASP  HB-          89 ASP  HN          4.50    (#   1163:15  Unique         2.47, 2.51 A)
 &rst
  ixpk= 1163, nxpk= 15, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1329,1330,
 &end
#
#    0 AMB  15-2:1164    89 ASP  HN          7.00    (#   1164:15  Single Ambig)
 &rst
  ixpk= 1164, nxpk= 15, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1=1371,1387,1388, 535, 536,
 &end
#
#    0 AMB  15-2:1165    89 ASP  HN          5.50    (#   1165:15  Single Ambig)
 &rst
  ixpk= 1165, nxpk= 15, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1373,1374,1375,1377,1378,1379, 561, 562, 563, 565,
       566, 567,
 &end
#
#   88 CYS  HN           89 ASP  HN          4.50    (#   1166:15  Unique         2.85, 2.93 A)
 &rst
  ixpk= 1166, nxpk= 15, iat=1314,1325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 VAL  HN           89 ASP  HN          5.50    (#   1167:15  Unique         4.44, 4.54 A)
 &rst
  ixpk= 1167, nxpk= 15, iat=1351,1325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 GLY  HA+          89 ASP  HN          5.50    (#   1168:15  Unique         3.68, 4.43 A)
 &rst
  ixpk= 1168, nxpk= 15, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1309,1310,
 &end
#
#    0 AMB  15-2:1169    89 ASP  HN          5.50    (#   1169:15  Single Ambig)
 &rst
  ixpk= 1169, nxpk= 15, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1309,1310,1146,1147,
 &end
#
#    0 AMB  15-2:1170    89 ASP  HN          5.50    (#   1170:15  Single Ambig)
 &rst
  ixpk= 1170, nxpk= 15, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363, 561, 562, 563, 565, 566, 567,
 &end
#
#   14 ALA  HN           15 LYS  HN          4.50    (#   1171:15  Unique         2.79, 2.86 A)
 &rst
  ixpk= 1171, nxpk= 15, iat= 210, 220, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 TRP  HH2          15 LYS  HN          5.50    (#   1172:15  Unique         4.34, 4.54 A)
 &rst
  ixpk= 1172, nxpk= 15, iat=1054, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HA           15 LYS  HN          5.50    (#   1173:15  Unique         4.40, 4.50 A)
 &rst
  ixpk= 1173, nxpk= 15, iat= 190, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1174    15 LYS  HN          4.50    (#   1174:15  Single Ambig)
 &rst
  ixpk= 1174, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 212, 149,
 &end
#
#    0 AMB  15-2:1175    15 LYS  HN          3.50    (#   1175:15  Single Ambig)
 &rst
  ixpk= 1175, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 222, 168,
 &end
#
#    0 AMB  15-2:1176    15 LYS  HN          5.50    (#   1176:15  Single Ambig)
 &rst
  ixpk= 1176, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 246, 247, 249, 250,
 &end
#
#    0 AMB  15-2:1177    15 LYS  HN          5.50    (#   1177:15  Single Ambig)
 &rst
  ixpk= 1177, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 233, 234, 266, 267, 268, 270, 271, 272,
 &end
#
#    0 AMB  15-2:1178    15 LYS  HN          5.50    (#   1178:15  Single Ambig)
 &rst
  ixpk= 1178, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 192, 193, 170, 171, 945, 946, 947, 949, 950, 951,
      
 &end
#
#    0 AMB  15-2:1179    15 LYS  HN          5.50    (#   1179:15  Single Ambig)
 &rst
  ixpk= 1179, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 233, 234, 176, 177,
 &end
#
#    0 AMB  15-2:1180    15 LYS  HN          2.50    (#   1180:15  Single Ambig)
 &rst
  ixpk= 1180, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr1= 224, 225, 214, 215, 216,
 &end
#
#   15 LYS  QD           15 LYS  HN          4.50    (#   1181:15  Unique         4.06, 4.53 A)
 &rst
  ixpk= 1181, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 230, 231,
 &end
#
#    0 AMB  15-2:1182    15 LYS  HN          5.50    (#   1182:15  Single Ambig)
 &rst
  ixpk= 1182, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 156, 157, 158, 160, 161, 162, 280, 281, 282,
 &end
#
#   11 LEU  MDY          15 LYS  HN          5.50    (#   1183:15  Unique         3.56, 5.85 A)
 &rst
  ixpk= 1183, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   15 LYS  HG-          15 LYS  HN          4.50    (#   1184:15  Unique         2.33, 3.10 A)
 &rst
  ixpk= 1184, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 227, 228,
 &end
#
#   15 LYS  HG+          15 LYS  HN          4.50    (#   1185:15  Unique         2.33, 3.10 A)
 &rst
  ixpk= 1185, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 227, 228,
 &end
#
#   96 GLN  HA           97 ARG  HN          5.50    (#   1186:15  Unique         3.55, 3.59 A)
 &rst
  ixpk= 1186, nxpk= 15, iat=1439,1454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96 GLN  HG+          97 ARG  HN          5.50    (#   1187:15  Unique         2.71, 4.65 A)
 &rst
  ixpk= 1187, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1444,1445,
 &end
#
#    0 AMB  15-2:1188    97 ARG  HN          4.50    (#   1188:15  Single Ambig)
 &rst
  ixpk= 1188, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1437,1492,
 &end
#
#    0 AMB  15-2:1189    97 ARG  HN          5.50    (#   1189:15  Single Ambig)
 &rst
  ixpk= 1189, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1420,1398,
 &end
#
#   98 ASN  HN           97 ARG  HN          4.50    (#   1190:15  Unique         2.69, 2.78 A)
 &rst
  ixpk= 1190, nxpk= 15, iat=1478,1454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98 ASN  HA           97 ARG  HN          5.50    (#   1191:15  Unique         4.77, 4.84 A)
 &rst
  ixpk= 1191, nxpk= 15, iat=1480,1454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   97 ARG  HA           97 ARG  HN          4.50    (#   1192:15  Unique         2.88, 2.91 A)
 &rst
  ixpk= 1192, nxpk= 15, iat=1456,1454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   94 LYS  HA           97 ARG  HN          5.50    (#   1193:15  Unique         3.17, 3.32 A)
 &rst
  ixpk= 1193, nxpk= 15, iat=1400,1454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96 GLN  HB+          97 ARG  HN          4.50    (#   1194:15  Unique         2.64, 3.30 A)
 &rst
  ixpk= 1194, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1441,1442,
 &end
#
#    0 AMB  15-2:1195    97 ARG  HN          3.50    (#   1195:15  Single Ambig)
 &rst
  ixpk= 1195, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1458,1459,1441,1442,
 &end
#
#   97 ARG  HG-          97 ARG  HN          4.50    (#   1196:15  Unique         2.34, 3.05 A)
 &rst
  ixpk= 1196, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1461,1462,
 &end
#
#    0 AMB  15-2:1197    97 ARG  HN          3.50    (#   1197:15  Single Ambig)
 &rst
  ixpk= 1197, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1458,1459,1461,1462,
 &end
#
#   97 ARG  QD           97 ARG  HN          5.50    (#   1198:15  Unique         3.51, 4.61 A)
 &rst
  ixpk= 1198, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1464,1465,
 &end
#
#   96 GLN  HG-          97 ARG  HN          5.50    (#   1199:15  Unique         2.71, 4.65 A)
 &rst
  ixpk= 1199, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1444,1445,
 &end
#
#   63 GLN  HN           64 SER  HN          3.50    (#   1200:15  Unique         2.69, 2.78 A)
 &rst
  ixpk= 1200, nxpk= 15, iat= 955, 972, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 ALA  HN           64 SER  HN          3.50    (#   1201:15  Unique         2.75, 2.80 A)
 &rst
  ixpk= 1201, nxpk= 15, iat= 983, 972, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 SER  HA           64 SER  HN          3.50    (#   1202:15  Unique         2.81, 2.84 A)
 &rst
  ixpk= 1202, nxpk= 15, iat= 974, 972, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 SER  HB+          64 SER  HN          3.50    (#   1203:15  Unique         2.54, 3.09 A)
 &rst
  ixpk= 1203, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 976, 977,
 &end
#
#   63 GLN  HB+          64 SER  HN          3.50    (#   1204:15  Unique         2.57, 3.26 A)
 &rst
  ixpk= 1204, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 959, 960,
 &end
#
#    0 AMB  15-2:1205    64 SER  HN          5.50    (#   1205:15  Single Ambig)
 &rst
  ixpk= 1205, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 997, 998, 940, 941,
 &end
#
#    0 AMB  15-2:1206    64 SER  HN          4.50    (#   1206:15  Single Ambig)
 &rst
  ixpk= 1206, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 987, 988, 989,1016,1017,1018,
 &end
#
#   66 LEU  HB-          64 SER  HN          5.50    (#   1207:15  Unique         4.75, 5.86 A)
 &rst
  ixpk= 1207, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 997, 998,
 &end
#
#    0 AMB  15-2:1208    64 SER  HN          5.50    (#   1208:15  Single Ambig)
 &rst
  ixpk= 1208, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 822, 823, 824, 826, 827, 828, 945, 946, 947, 949,
       950, 951,
 &end
#
#   66 LEU  HN           64 SER  HN          5.50    (#   1209:15  Unique         4.04, 4.30 A)
 &rst
  ixpk= 1209, nxpk= 15, iat= 993, 972, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 GLN  HN           64 SER  HN          5.50    (#   1210:15  Unique         4.51, 4.59 A)
 &rst
  ixpk= 1210, nxpk= 15, iat= 919, 972, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1212    64 SER  HN          7.00    (#   1212:15  Single Ambig)
 &rst
  ixpk= 1212, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
 igr1= 105, 106, 107, 109, 110, 111, 943,
 &end
#
#   18 ALA  HN           20 SER  HN          5.50    (#   1213:15  Unique         4.20, 4.24 A)
 &rst
  ixpk= 1213, nxpk= 15, iat= 276, 297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ALA  HN           20 SER  HN          4.50    (#   1214:15  Unique         2.64, 2.70 A)
 &rst
  ixpk= 1214, nxpk= 15, iat= 308, 297, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 SER  HN           20 SER  HN          3.50    (#   1215:15  Unique         2.01, 2.22 A)
 &rst
  ixpk= 1215, nxpk= 15, iat= 286, 297, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 SER  HA           20 SER  HN          4.50    (#   1218:15  Unique         3.22, 3.37 A)
 &rst
  ixpk= 1218, nxpk= 15, iat= 288, 297, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 SER  HA           20 SER  HN          4.50    (#   1219:15  Unique         2.81, 2.88 A)
 &rst
  ixpk= 1219, nxpk= 15, iat= 299, 297, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1220    20 SER  HN          4.50    (#   1220:15  Single Ambig)
 &rst
  ixpk= 1220, nxpk= 15, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 301, 302, 290, 291,
 &end
#
#   21 ALA  MB           20 SER  HN          5.50    (#   1221:15  Unique         4.82, 5.58 A)
 &rst
  ixpk= 1221, nxpk= 15, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 312, 313, 314,
 &end
#
#   24 VAL  MGY          20 SER  HN          3.50    (#   1222:15  Unique         2.86, 4.82 A)
 &rst
  ixpk= 1222, nxpk= 15, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   24 VAL  MGX          20 SER  HN          5.50    (#   1223:15  Unique         2.86, 4.82 A)
 &rst
  ixpk= 1223, nxpk= 15, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   18 ALA  HA           20 SER  HN          5.50    (#   1224:15  Unique         3.99, 4.13 A)
 &rst
  ixpk= 1224, nxpk= 15, iat= 278, 297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  105 GLN  HN          103 LEU  HN          5.50    (#   1226:15  Unique         4.04, 4.15 A)
 &rst
  ixpk= 1226, nxpk= 15, iat=1597,1559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 LEU  HN          103 LEU  HN          3.50    (#   1227:15  Unique         2.65, 2.71 A)
 &rst
  ixpk= 1227, nxpk= 15, iat=1578,1559, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:1228   103 LEU  HN          4.50    (#   1228:15  Single Ambig)
 &rst
  ixpk= 1228, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
      1521,1522,1215,1216,1217,
 &end
#
#  102 PRO  HA          103 LEU  HN          4.50    (#   1229:15  Unique         3.61, 3.64 A)
 &rst
  ixpk= 1229, nxpk= 15, iat=1555,1559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103 LEU  HA          103 LEU  HN          3.50    (#   1230:15  Unique         2.84, 2.86 A)
 &rst
  ixpk= 1230, nxpk= 15, iat=1561,1559, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  102 PRO  HD-         103 LEU  HN          5.50    (#   1231:15  Unique         3.04, 3.77 A)
 &rst
  ixpk= 1231, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1546,1547,
 &end
#
#  102 PRO  HD+         103 LEU  HN          4.50    (#   1232:15  Unique         3.04, 3.77 A)
 &rst
  ixpk= 1232, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1546,1547,
 &end
#
#  102 PRO  HB+         103 LEU  HN          4.50    (#   1233:15  Unique         2.45, 3.36 A)
 &rst
  ixpk= 1233, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1552,1553,
 &end
#
#    0 AMB  15-2:1234   103 LEU  HN          3.50    (#   1234:15  Single Ambig)
 &rst
  ixpk= 1234, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1563,1564,1549,1550,
 &end
#
#  102 PRO  HG+         103 LEU  HN          4.50    (#   1235:15  Unique         2.70, 4.40 A)
 &rst
  ixpk= 1235, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1549,1550,
 &end
#
#  102 PRO  HB-         103 LEU  HN          4.50    (#   1236:15  Unique         2.45, 3.36 A)
 &rst
  ixpk= 1236, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1552,1553,
 &end
#
#  103 LEU  HB-         103 LEU  HN          3.50    (#   1237:15  Unique         2.11, 2.48 A)
 &rst
  ixpk= 1237, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1563,1564,
 &end
#
#    0 AMB  15-2:1238   103 LEU  HN          3.50    (#   1238:15  Single Ambig)
 &rst
  ixpk= 1238, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
      1573,1574,1766,1767,1768,1770,1771,1772,
 &end
#
#    0 AMB  15-2:1239   103 LEU  HN          4.50    (#   1239:15  Single Ambig)
 &rst
  ixpk= 1239, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1585,1587,1588,1589,1591,1592,1593,1222,1223,1224,
      
 &end
#
#    0 AMB  15-2:1241    98 ASN  HN          5.50    (#   1241:15  Single Ambig)
 &rst
  ixpk= 1241, nxpk= 15, iat=  -1,1478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1420,1398,
 &end
#
#  100 LEU  HN           98 ASN  HN          5.50    (#   1242:15  Unique         4.02, 4.11 A)
 &rst
  ixpk= 1242, nxpk= 15, iat=1507,1478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   94 LYS  HA           98 ASN  HN          5.50    (#   1243:15  Unique         4.61, 4.77 A)
 &rst
  ixpk= 1243, nxpk= 15, iat=1400,1478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   97 ARG  HG-          98 ASN  HN          4.50    (#   1244:15  Unique         3.57, 4.99 A)
 &rst
  ixpk= 1244, nxpk= 15, iat=  -1,1478, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1461,1462,
 &end
#
#    0 AMB  15-2:1245    98 ASN  HN          5.50    (#   1245:15  Single Ambig)
 &rst
  ixpk= 1245, nxpk= 15, iat=  -1,1478, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1458,1459,1461,1462,
 &end
#
#   99 GLU  HN           98 ASN  HN          3.50    (#   1246:15  Unique         2.60, 2.74 A)
 &rst
  ixpk= 1246, nxpk= 15, iat=1492,1478, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   97 ARG  HN           98 ASN  HN          3.50    (#   1247:15  Unique         2.69, 2.78 A)
 &rst
  ixpk= 1247, nxpk= 15, iat=1454,1478, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   98 ASN  HA           98 ASN  HN          2.50    (#   1248:15  Unique         2.19, 2.21 A)
 &rst
  ixpk= 1248, nxpk= 15, iat=1480,1478, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   97 ARG  HA           98 ASN  HN          4.50    (#   1249:15  Unique         3.18, 3.31 A)
 &rst
  ixpk= 1249, nxpk= 15, iat=1456,1478, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   96 GLN  HA           98 ASN  HN          5.50    (#   1250:15  Unique         3.40, 3.62 A)
 &rst
  ixpk= 1250, nxpk= 15, iat=1439,1478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98 ASN  HB+          98 ASN  HN          4.50    (#   1251:15  Unique         2.98, 3.36 A)
 &rst
  ixpk= 1251, nxpk= 15, iat=  -1,1478, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1482,1483,
 &end
#
#   98 ASN  HB-          98 ASN  HN          4.50    (#   1252:15  Unique         2.98, 3.36 A)
 &rst
  ixpk= 1252, nxpk= 15, iat=  -1,1478, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1482,1483,
 &end
#
#    0 AMB  15-2:1253    98 ASN  HN          4.50    (#   1253:15  Single Ambig)
 &rst
  ixpk= 1253, nxpk= 15, iat=  -1,1478, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1499,1500,1441,1442,
 &end
#
#    0 AMB  15-2:1254    98 ASN  HN          4.50    (#   1254:15  Single Ambig)
 &rst
  ixpk= 1254, nxpk= 15, iat=  -1,1478, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1458,1459,1496,1497,
 &end
#
#    0 AMB  15-2:1255    97 ARG  HE          7.00    (#   1255:15  Single Ambig)
 &rst
  ixpk= 1255, nxpk= 15, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1456,1494,
 &end
#
#   94 LYS  HA           97 ARG  HE          5.50    (#   1256:15  Unique         2.73, 3.85 A)
 &rst
  ixpk= 1256, nxpk= 15, iat=1400,1467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1257    97 ARG  HE          4.50    (#   1257:15  Single Ambig)
 &rst
  ixpk= 1257, nxpk= 15, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1458,1459,1496,1497,
 &end
#
#   97 ARG  HG-          97 ARG  HE          5.50    (#   1258:15  Unique         2.29, 3.35 A)
 &rst
  ixpk= 1258, nxpk= 15, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1461,1462,
 &end
#
#    0 AMB  15-2:1259    97 ARG  HE          4.50    (#   1259:15  Single Ambig)
 &rst
  ixpk= 1259, nxpk= 15, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1461,1462,1458,1459,1405,1406,
 &end
#
#   97 ARG  QD           97 ARG  HE          3.50    (#   1261:15  Unique         2.28, 2.68 A)
 &rst
  ixpk= 1261, nxpk= 15, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1464,1465,
 &end
#
#   73 GLY  HA-          73 GLY  HN          5.50    (#   1262:15  Unique         2.26, 2.59 A)
 &rst
  ixpk= 1262, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1110,1111,
 &end
#
#   73 GLY  HA+          73 GLY  HN          5.50    (#   1263:15  Unique         2.26, 2.59 A)
 &rst
  ixpk= 1263, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1110,1111,
 &end
#
#   74 THR  HN           73 GLY  HN          5.50    (#   1264:15  Unique         2.50, 2.89 A)
 &rst
  ixpk= 1264, nxpk= 15, iat=1115,1108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 ARG  HG+          73 GLY  HN          5.50    (#   1265:15  Unique         1.98, 4.24 A)
 &rst
  ixpk= 1265, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1091,1092,
 &end
#
#   72 ARG  HA           73 GLY  HN          4.50    (#   1266:15  Unique         2.27, 2.82 A)
 &rst
  ixpk= 1266, nxpk= 15, iat=1086,1108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98 ASN  HN           98 ASN  HD2+        5.50    (#   1268:15  Unique         3.68, 5.72 A)
 &rst
  ixpk= 1268, nxpk= 15, iat=1478,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1487,1488,
 &end
#
#   98 ASN  HB+          98 ASN  HD2+        4.50    (#   1270:15  Unique         2.28, 3.30 A)
 &rst
  ixpk= 1270, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1482,1483,
 igr2=1487,1488,
 &end
#
#   98 ASN  HB-          98 ASN  HD2+        4.50    (#   1271:15  Unique         2.28, 3.30 A)
 &rst
  ixpk= 1271, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1482,1483,
 igr2=1487,1488,
 &end
#
#   98 ASN  HA           98 ASN  HD2-        5.50    (#   1273:15  Unique         2.30, 4.25 A)
 &rst
  ixpk= 1273, nxpk= 15, iat=1480,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1487,1488,
 &end
#
#   98 ASN  HB+          98 ASN  HD2-        5.50    (#   1276:15  Unique         2.28, 3.30 A)
 &rst
  ixpk= 1276, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1482,1483,
 igr2=1487,1488,
 &end
#
#   98 ASN  HB-          98 ASN  HD2-        4.50    (#   1277:15  Unique         2.28, 3.30 A)
 &rst
  ixpk= 1277, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1482,1483,
 igr2=1487,1488,
 &end
#
#   98 ASN  HA           98 ASN  HD2+        5.50    (#   1278:15  Unique         2.30, 4.25 A)
 &rst
  ixpk= 1278, nxpk= 15, iat=1480,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1487,1488,
 &end
#
#  117 LEU  MDX         113 ASN  HD2+        5.50    (#   1279:15  Unique         2.72, 6.89 A)
 &rst
  ixpk= 1279, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1766,1767,1768,1770,1771,1772,
 igr2=1711,1712,
 &end
#
#  117 LEU  HA          113 ASN  HD2+        5.50    (#   1280:15  Unique         2.60, 4.81 A)
 &rst
  ixpk= 1280, nxpk= 15, iat=1759,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1711,1712,
 &end
#
#  113 ASN  HB-         113 ASN  HD2+        5.50    (#   1283:15  Unique         2.21, 3.25 A)
 &rst
  ixpk= 1283, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1706,1707,
 igr2=1711,1712,
 &end
#
#  113 ASN  HB+         113 ASN  HD2+        5.50    (#   1284:15  Unique         2.21, 3.25 A)
 &rst
  ixpk= 1284, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1706,1707,
 igr2=1711,1712,
 &end
#
#  113 ASN  HB+         113 ASN  HD2-        5.50    (#   1289:15  Unique         2.21, 3.25 A)
 &rst
  ixpk= 1289, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1706,1707,
 igr2=1711,1712,
 &end
#
#  113 ASN  HB-         113 ASN  HD2-        5.50    (#   1290:15  Unique         2.21, 3.25 A)
 &rst
  ixpk= 1290, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1706,1707,
 igr2=1711,1712,
 &end
#
#  101 LEU  HN           99 GLU  HN          5.50    (#   1294:15  Unique         3.48, 3.77 A)
 &rst
  ixpk= 1294, nxpk= 15, iat=1526,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   97 ARG  HN           99 GLU  HN          5.50    (#   1295:15  Unique         3.80, 3.92 A)
 &rst
  ixpk= 1295, nxpk= 15, iat=1454,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100 LEU  MDY          99 GLU  HN          5.50    (#   1296:15  Unique         6.29, 7.01 A)
 &rst
  ixpk= 1296, nxpk= 15, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1516,1517,1518,1520,1521,1522,
 &end
#
#   95 HIS  HN           99 GLU  HN          5.50    (#   1298:15  Unique         4.85, 4.93 A)
 &rst
  ixpk= 1298, nxpk= 15, iat=1420,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98 ASN  HN           99 GLU  HN          4.50    (#   1299:15  Unique         2.60, 2.74 A)
 &rst
  ixpk= 1299, nxpk= 15, iat=1478,1492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 LEU  HN           99 GLU  HN          3.50    (#   1300:15  Unique         1.89, 1.99 A)
 &rst
  ixpk= 1300, nxpk= 15, iat=1507,1492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   98 ASN  HA           99 GLU  HN          4.50    (#   1301:15  Unique         2.56, 2.69 A)
 &rst
  ixpk= 1301, nxpk= 15, iat=1480,1492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   99 GLU  HA           99 GLU  HN          4.50    (#   1302:15  Unique         2.96, 2.98 A)
 &rst
  ixpk= 1302, nxpk= 15, iat=1494,1492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   94 LYS  HA           99 GLU  HN          5.50    (#   1303:15  Unique         3.44, 3.63 A)
 &rst
  ixpk= 1303, nxpk= 15, iat=1400,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98 ASN  HB+          99 GLU  HN          5.50    (#   1304:15  Unique         4.29, 4.50 A)
 &rst
  ixpk= 1304, nxpk= 15, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1482,1483,
 &end
#
#   99 GLU  QG           99 GLU  HN          4.50    (#   1305:15  Unique         2.78, 4.42 A)
 &rst
  ixpk= 1305, nxpk= 15, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1499,1500,
 &end
#
#    0 AMB  15-2:1306    99 GLU  HN          4.50    (#   1306:15  Single Ambig)
 &rst
  ixpk= 1306, nxpk= 15, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1496,1497,1458,1459,
 &end
#
#   99 GLU  HB-          99 GLU  HN          4.50    (#   1307:15  Unique         2.29, 2.69 A)
 &rst
  ixpk= 1307, nxpk= 15, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1496,1497,
 &end
#
#   94 LYS  HB-          99 GLU  HN          5.50    (#   1308:15  Unique         3.78, 4.54 A)
 &rst
  ixpk= 1308, nxpk= 15, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1402,1403,
 &end
#
#  100 LEU  HB-          99 GLU  HN          5.50    (#   1309:15  Unique         3.92, 4.28 A)
 &rst
  ixpk= 1309, nxpk= 15, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1511,1512,
 &end
#
#   98 ASN  HB-          99 GLU  HN          5.50    (#   1310:15  Unique         4.29, 4.50 A)
 &rst
  ixpk= 1310, nxpk= 15, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1482,1483,
 &end
#
#    0 AMB  15-2:1311    99 GLU  HN          4.50    (#   1311:15  Single Ambig)
 &rst
  ixpk= 1311, nxpk= 15, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1458,1459,1461,1462,
 &end
#
#   24 VAL  HN           23 VAL  HN          5.50    (#   1313:15  Unique         4.21, 4.23 A)
 &rst
  ixpk= 1313, nxpk= 15, iat= 348, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HN           23 VAL  HN          5.50    (#   1314:15  Unique         3.69, 3.90 A)
 &rst
  ixpk= 1314, nxpk= 15, iat= 744, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 VAL  HA           23 VAL  HN          4.50    (#   1315:15  Unique         2.93, 2.93 A)
 &rst
  ixpk= 1315, nxpk= 15, iat= 334, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 PRO  HA           23 VAL  HN          4.50    (#   1316:15  Unique         3.48, 3.49 A)
 &rst
  ixpk= 1316, nxpk= 15, iat= 328, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1317    23 VAL  HN          4.50    (#   1317:15  Single Ambig)
 &rst
  ixpk= 1317, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 319, 320, 319, 320,
 &end
#
#    0 AMB  15-2:1318    23 VAL  HN          5.50    (#   1318:15  Single Ambig)
 &rst
  ixpk= 1318, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 727, 728,1193,1194,
 &end
#
#    0 AMB  15-2:1319    23 VAL  HN          4.50    (#   1319:15  Single Ambig)
 &rst
  ixpk= 1319, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 325, 326, 727, 728,
 &end
#
#    0 AMB  15-2:1320    23 VAL  HN          3.50    (#   1320:15  Single Ambig)
 &rst
  ixpk= 1320, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 322, 323, 336,
 &end
#
#   22 PRO  HG+          23 VAL  HN          4.50    (#   1321:15  Unique         2.78, 3.68 A)
 &rst
  ixpk= 1321, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 322, 323,
 &end
#
#    0 AMB  15-2:1322    23 VAL  HN          4.50    (#   1322:15  Single Ambig)
 &rst
  ixpk= 1322, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1650,1651,1652,1219,1220,1630,1631,1632,
 &end
#
#   21 ALA  MB           23 VAL  HN          3.50    (#   1323:15  Unique         2.69, 3.35 A)
 &rst
  ixpk= 1323, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 312, 313, 314,
 &end
#
#   80 ILE  HG1+         23 VAL  HN          5.50    (#   1324:15  Unique         5.36, 6.30 A)
 &rst
  ixpk= 1324, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1219,1220,
 &end
#
#   23 VAL  MGX          23 VAL  HN          3.50    (#   1325:15  Unique         3.09, 4.35 A)
 &rst
  ixpk= 1325, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   48 TYR  HA           23 VAL  HN          4.50    (#   1327:15  Unique         2.89, 3.04 A)
 &rst
  ixpk= 1327, nxpk= 15, iat= 725, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 ALA  HA           23 VAL  HN          5.50    (#   1328:15  Unique         4.12, 4.15 A)
 &rst
  ixpk= 1328, nxpk= 15, iat= 310, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HB+          23 VAL  HN          5.50    (#   1329:15  Unique         4.67, 4.97 A)
 &rst
  ixpk= 1329, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 748, 749,
 &end
#
#   72 ARG  HD-          72 ARG  HE          5.50    (#   1330:15  Unique         2.29, 2.69 A)
 &rst
  ixpk= 1330, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094,1095,
 &end
#
#   35 ASN  HB-          35 ASN  HD2+        4.50    (#   1332:15  Unique         2.24, 3.32 A)
 &rst
  ixpk= 1332, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 521, 522,
 igr2= 526, 527,
 &end
#
#   35 ASN  HN           35 ASN  HD2+        5.50    (#   1333:15  Unique         3.86, 5.10 A)
 &rst
  ixpk= 1333, nxpk= 15, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 526, 527,
 &end
#
#    0 AMB  15-2:1335    35 ASN  HD2-        4.50    (#   1335:15  Single Ambig)
 &rst
  ixpk= 1335, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 521, 522, 521, 522,
 igr2= 526, 527,
 &end
#
#   32 GLY  QA           35 ASN  HD2-        5.50    (#   1337:15  Unique         2.89, 5.02 A)
 &rst
  ixpk= 1337, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 480, 481,
 igr2= 526, 527,
 &end
#
#   32 GLY  QA           35 ASN  HD2+        4.50    (#   1338:15  Unique         2.89, 5.02 A)
 &rst
  ixpk= 1338, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 480, 481,
 igr2= 526, 527,
 &end
#
#    5 GLN  QG            5 GLN  HE2-        4.50    (#   1341:15  Unique         2.24, 3.38 A)
 &rst
  ixpk= 1341, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  71,  72,
 igr2=  76,  77,
 &end
#
#    9 ALA  MB            5 GLN  HE2-        5.50    (#   1342:15  Unique         2.42, 4.78 A)
 &rst
  ixpk= 1342, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 131, 132, 133,
 igr2=  76,  77,
 &end
#
#    5 GLN  QG            5 GLN  HE2+        5.50    (#   1345:15  Unique         2.24, 3.38 A)
 &rst
  ixpk= 1345, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  71,  72,
 igr2=  76,  77,
 &end
#
#   74 THR  HA           75 VAL  HN          3.50    (#   1346:15  Unique         2.19, 2.43 A)
 &rst
  ixpk= 1346, nxpk= 15, iat=1117,1129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 VAL  HB           75 VAL  HN          5.50    (#   1347:15  Unique         3.60, 3.72 A)
 &rst
  ixpk= 1347, nxpk= 15, iat=1133,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1348    75 VAL  HN          5.50    (#   1348:15  Single Ambig)
 &rst
  ixpk= 1348, nxpk= 15, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 418, 419,1091,1092,
 &end
#
#   74 THR  MG2          75 VAL  HN          4.50    (#   1349:15  Unique         2.25, 4.21 A)
 &rst
  ixpk= 1349, nxpk= 15, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1121,1122,1123,
 &end
#
#    0 AMB  15-2:1350    75 VAL  HN          5.50    (#   1350:15  Single Ambig)
 &rst
  ixpk= 1350, nxpk= 15, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 967, 968,1097,
 &end
#
#    0 AMB  15-2:1351    75 VAL  HN          5.50    (#   1351:15  Single Ambig)
 &rst
  ixpk= 1351, nxpk= 15, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 967, 968,1115,
 &end
#
#   76 PRO  HA           75 VAL  HN          5.50    (#   1352:15  Unique         4.80, 4.87 A)
 &rst
  ixpk= 1352, nxpk= 15, iat=1155,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1354    75 VAL  HN          3.50    (#   1354:15  Single Ambig)
 &rst
  ixpk= 1354, nxpk= 15, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1119,1131,
 &end
#
#   75 VAL  MGX          75 VAL  HN          3.50    (#   1355:15  Unique         1.99, 3.47 A)
 &rst
  ixpk= 1355, nxpk= 15, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1135,1136,1137,1139,1140,1141,
 &end
#
#   35 ASN  HN           35 ASN  HD2+        5.50    (#   1356:15  Unique         3.86, 5.10 A)
 &rst
  ixpk= 1356, nxpk= 15, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 526, 527,
 &end
#
#   52 GLU  HA           54 ASP  HN          5.50    (#   1357:15  Unique         3.56, 3.85 A)
 &rst
  ixpk= 1357, nxpk= 15, iat= 800, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 ASP  HA           54 ASP  HN          4.50    (#   1358:15  Unique         2.82, 2.85 A)
 &rst
  ixpk= 1358, nxpk= 15, iat= 834, 832, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  MDX          54 ASP  HN          5.50    (#   1359:15  Unique         4.78, 5.88 A)
 &rst
  ixpk= 1359, nxpk= 15, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  15-2:1360    54 ASP  HN          4.50    (#   1360:15  Single Ambig)
 &rst
  ixpk= 1360, nxpk= 15, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 822, 823, 824, 826, 827, 828,1135,1136,1137,1139,
      1140,1141, 868, 869, 870, 872, 873, 874,
 &end
#
#   53 LEU  HN           54 ASP  HN          5.50    (#   1361:15  Unique         2.78, 2.98 A)
 &rst
  ixpk= 1361, nxpk= 15, iat= 813, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HN           54 ASP  HN          4.50    (#   1362:15  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1362, nxpk= 15, iat= 844, 832, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HN           54 ASP  HN          5.50    (#   1363:15  Unique         3.85, 4.05 A)
 &rst
  ixpk= 1363, nxpk= 15, iat= 859, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 LYS  HA           54 ASP  HN          4.50    (#   1364:15  Unique         2.34, 2.64 A)
 &rst
  ixpk= 1364, nxpk= 15, iat= 413, 832, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 ASP  HB+          54 ASP  HN          4.50    (#   1365:15  Unique         2.32, 2.52 A)
 &rst
  ixpk= 1365, nxpk= 15, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 836, 837,
 &end
#
#   28 LYS  HE-          54 ASP  HN          5.50    (#   1366:15  Unique         3.39, 5.07 A)
 &rst
  ixpk= 1366, nxpk= 15, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 424, 425,
 &end
#
#   54 ASP  HB-          54 ASP  HN          4.50    (#   1367:15  Unique         2.32, 2.52 A)
 &rst
  ixpk= 1367, nxpk= 15, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 836, 837,
 &end
#
#    0 AMB  15-2:1368    54 ASP  HN          4.50    (#   1368:15  Single Ambig)
 &rst
  ixpk= 1368, nxpk= 15, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 851, 852, 848, 849, 820,
 &end
#
#    0 AMB  15-2:1369    54 ASP  HN          4.50    (#   1369:15  Single Ambig)
 &rst
  ixpk= 1369, nxpk= 15, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 802, 803, 848, 849,
 &end
#
#    0 AMB  15-2:1370    54 ASP  HN          4.50    (#   1370:15  Single Ambig)
 &rst
  ixpk= 1370, nxpk= 15, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 421, 422, 817, 818,
 &end
#
#   28 LYS  QG           54 ASP  HN          4.50    (#   1371:15  Unique         2.15, 3.53 A)
 &rst
  ixpk= 1371, nxpk= 15, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 418, 419,
 &end
#
#    0 AMB  15-2:1373     0 AMB  15-1:1373   5.50    (#   1373:15  Double Ambig)
 &rst
  ixpk= 1373, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1599,  83,
 igr2=1609,1610, 931, 932,
 &end
#
#    0 AMB  15-2:1375     0 AMB  15-1:1375   4.50    (#   1375:15  Double Ambig)
 &rst
  ixpk= 1375, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 926, 927, 893, 894,
 igr2= 931, 932, 931, 932,
 &end
#
#   58 ASP  HA           61 GLN  HE2+        5.50    (#   1376:15  Unique         3.97, 5.09 A)
 &rst
  ixpk= 1376, nxpk= 15, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 931, 932,
 &end
#
#    0 AMB  15-2:1377     0 AMB  15-1:1377   5.50    (#   1377:15  Double Ambig)
 &rst
  ixpk= 1377, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 923, 924,  85,  86,
 igr2= 931, 932, 931, 932,
 &end
#
#    0 AMB  15-2:1378     0 AMB  15-1:1378   5.50    (#   1378:15  Double Ambig)
 &rst
  ixpk= 1378, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 521, 522, 521, 522,
 igr2= 605, 606, 605, 606,
 &end
#
#   39 GLN  HG+          39 GLN  HE2+        4.50    (#   1379:15  Unique         2.23, 3.23 A)
 &rst
  ixpk= 1379, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 600, 601,
 igr2= 605, 606,
 &end
#
#    0 AMB  15-2:1382    61 GLN  HE2-        5.50    (#   1382:15  Single Ambig)
 &rst
  ixpk= 1382, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 926, 927, 893, 894,
 igr2= 931, 932,
 &end
#
#   61 GLN  HG+          61 GLN  HE2-        5.50    (#   1383:15  Unique         2.23, 3.47 A)
 &rst
  ixpk= 1383, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 926, 927,
 igr2= 931, 932,
 &end
#
#    0 AMB  15-2:1384    61 GLN  HE2-        5.50    (#   1384:15  Single Ambig)
 &rst
  ixpk= 1384, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 923, 924,  88,  89,
 igr2= 931, 932,
 &end
#
#   58 ASP  HA           61 GLN  HE2-        5.50    (#   1385:15  Unique         3.97, 5.09 A)
 &rst
  ixpk= 1385, nxpk= 15, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 931, 932,
 &end
#
#   58 ASP  HB-          61 GLN  HE2-        5.50    (#   1386:15  Unique         2.25, 5.01 A)
 &rst
  ixpk= 1386, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 893, 894,
 igr2= 931, 932,
 &end
#
#   61 GLN  HB-          61 GLN  HE2-        5.50    (#   1387:15  Unique         2.33, 3.59 A)
 &rst
  ixpk= 1387, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 923, 924,
 igr2= 931, 932,
 &end
#
#   39 GLN  HG+          39 GLN  HE2-        5.50    (#   1388:15  Unique         2.23, 3.23 A)
 &rst
  ixpk= 1388, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 600, 601,
 igr2= 605, 606,
 &end
#
#    0 AMB  15-2:1389     0 AMB  15-1:1389   4.50    (#   1389:15  Double Ambig)
 &rst
  ixpk= 1389, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 600, 601,1441,1442,
 igr2= 605, 606,1449,1450,
 &end
#
#   53 LEU  HA           54 ASP  HN          5.50    (#   1390:15  Unique         3.41, 3.54 A)
 &rst
  ixpk= 1390, nxpk= 15, iat= 815, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 TRP  HN           71 GLY  HN          5.50    (#   1391:15  Unique         3.88, 4.04 A)
 &rst
  ixpk= 1391, nxpk= 15, iat=1039,1077, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 THR  HN           71 GLY  HN          3.50    (#   1392:15  Unique         2.12, 2.37 A)
 &rst
  ixpk= 1392, nxpk= 15, iat=1063,1077, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GLY  HA+          71 GLY  HN          3.50    (#   1393:15  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1393, nxpk= 15, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1079,1080,
 &end
#
#   70 THR  HA           71 GLY  HN          4.50    (#   1394:15  Unique         3.46, 3.49 A)
 &rst
  ixpk= 1394, nxpk= 15, iat=1065,1077, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 GLY  HA-          71 GLY  HN          3.50    (#   1395:15  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1395, nxpk= 15, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1079,1080,
 &end
#
#    0 AMB  15-2:1396    71 GLY  HN          5.50    (#   1396:15  Single Ambig)
 &rst
  ixpk= 1396, nxpk= 15, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1043,1044,1026,1027,
 &end
#
#    0 AMB  15-2:1397    71 GLY  HN          4.50    (#   1397:15  Single Ambig)
 &rst
  ixpk= 1397, nxpk= 15, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1091,1092,1016,1017,1018,1088,1089,
 &end
#
#   70 THR  MG2          71 GLY  HN          4.50    (#   1398:15  Unique         4.50, 5.09 A)
 &rst
  ixpk= 1398, nxpk= 15, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1069,1070,1071,
 &end
#
#    0 AMB  15-2:1399     0 AMB  15-1:1399   5.50    (#   1399:15  Double Ambig)
 &rst
  ixpk= 1399, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 923, 924,  88,  89,
 igr2= 931, 932, 931, 932,
 &end
#
#  112 LYS  HN          105 GLN  HE2+        5.50    (#   1400:15  Unique         2.27, 4.96 A)
 &rst
  ixpk= 1400, nxpk= 15, iat=1680,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1609,1610,
 &end
#
#    0 AMB  15-2:1402     0 AMB  15-1:1402   3.50    (#   1402:15  Double Ambig)
 &rst
  ixpk= 1402, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1604,1605, 926, 927,
 igr2=1609,1610, 931, 932,
 &end
#
#    9 ALA  MB           61 GLN  HE2+        5.50    (#   1403:15  Unique         3.28, 7.13 A)
 &rst
  ixpk= 1403, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 131, 132, 133,
 igr2= 931, 932,
 &end
#
#   42 THR  HB           43 GLN  HE2+        5.50    (#   1406:15  Unique         2.53, 5.00 A)
 &rst
  ixpk= 1406, nxpk= 15, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 674, 675,
 &end
#
#    0 AMB  15-2:1407     0 AMB  15-1:1407   5.50    (#   1407:15  Double Ambig)
 &rst
  ixpk= 1407, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1=1385, 612, 533, 664,
 igr2=1449,1450, 674, 675, 605, 606, 674, 675,
 &end
#
#    0 AMB  15-2:1408     0 AMB  15-1:1408   5.50    (#   1408:15  Double Ambig)
 &rst
  ixpk= 1408, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1=1441,1442, 597, 598,1371,
 igr2=1449,1450, 605, 606, 674, 675,
 &end
#
#   96 GLN  HG-          96 GLN  HE2-        5.50    (#   1409:15  Unique         2.24, 3.30 A)
 &rst
  ixpk= 1409, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1444,1445,
 igr2=1449,1450,
 &end
#
#   92 VAL  MGX          96 GLN  HE2-        5.50    (#   1410:15  Unique         2.30, 5.93 A)
 &rst
  ixpk= 1410, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1373,1374,1375,1377,1378,1379,
 igr2=1449,1450,
 &end
#
#   96 GLN  HG+          96 GLN  HE2+        5.50    (#   1412:15  Unique         2.24, 3.30 A)
 &rst
  ixpk= 1412, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1444,1445,
 igr2=1449,1450,
 &end
#
#   92 VAL  MGX          96 GLN  HE2+        4.50    (#   1413:15  Unique         2.30, 5.93 A)
 &rst
  ixpk= 1413, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1373,1374,1375,1377,1378,1379,
 igr2=1449,1450,
 &end
#
#   96 GLN  HG-          96 GLN  HE2+        5.50    (#   1415:15  Unique         2.24, 3.30 A)
 &rst
  ixpk= 1415, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1444,1445,
 igr2=1449,1450,
 &end
#
#    0 AMB  15-2:1416     0 AMB  15-1:1416   5.50    (#   1416:15  Double Ambig)
 &rst
  ixpk= 1416, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1=1441,1442, 597, 598,1371,
 igr2=1449,1450, 605, 606,1449,1450,
 &end
#
#   72 ARG  HA           71 GLY  HN          5.50    (#   1419:15  Unique         5.10, 5.19 A)
 &rst
  ixpk= 1419, nxpk= 15, iat=1086,1077, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1421     0 AMB  15-1:1421   5.50    (#   1421:15  Double Ambig)
 &rst
  ixpk= 1421, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1=1682,1660,1672,1555,
 igr2=1609,1610,1609,1610,1609,1610,1609,1610,
 &end
#
#  105 GLN  HB-         105 GLN  HE2+        5.50    (#   1422:15  Unique         1.94, 4.08 A)
 &rst
  ixpk= 1422, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1601,1602,
 igr2=1609,1610,
 &end
#
#    0 AMB  15-2:1423     0 AMB  15-1:1423   5.50    (#   1423:15  Double Ambig)
 &rst
  ixpk= 1423, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1=1533,1684,1685,1684,1685,
 igr2=1609,1610,1609,1610,1609,1610,
 &end
#
#  101 LEU  MDY         105 GLN  HE2+        5.50    (#   1424:15  Unique         1.86, 5.65 A)
 &rst
  ixpk= 1424, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1535,1536,1537,1539,1540,1541,
 igr2=1609,1610,
 &end
#
#  101 LEU  MDX         105 GLN  HE2+        5.50    (#   1425:15  Unique         1.86, 5.65 A)
 &rst
  ixpk= 1425, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1535,1536,1537,1539,1540,1541,
 igr2=1609,1610,
 &end
#
#    0 AMB  15-2:1426     0 AMB  15-1:1426   5.50    (#   1426:15  Double Ambig)
 &rst
  ixpk= 1426, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 612, 664,
 igr2= 674, 675, 674, 675,
 &end
#
#   44 VAL  MGY          43 GLN  HE2+        5.50    (#   1427:15  Unique         5.66, 7.97 A)
 &rst
  ixpk= 1427, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 685, 686, 687, 689, 690, 691,
 igr2= 674, 675,
 &end
#
#   43 GLN  HG-          43 GLN  HE2+        4.50    (#   1428:15  Unique         2.26, 3.41 A)
 &rst
  ixpk= 1428, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 669, 670,
 igr2= 674, 675,
 &end
#
#    0 AMB  15-2:1429     0 AMB  15-1:1429   4.50    (#   1429:15  Double Ambig)
 &rst
  ixpk= 1429, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 669, 670,1441,1442,
 igr2= 674, 675,1449,1450,
 &end
#
#   40 LEU  MDX           0 AMB  15-1:1430   5.50    (#   1430:15  Single Ambig)
 &rst
  ixpk= 1430, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2= 674, 675,1449,1450,
 &end
#
#    0 AMB  15-2:1431   105 GLN  HE2-        5.50    (#   1431:15  Single Ambig)
 &rst
  ixpk= 1431, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1682,1660,1672,1555,
 igr2=1609,1610,
 &end
#
#  105 GLN  HG+         105 GLN  HE2-        4.50    (#   1433:15  Unique         2.19, 3.33 A)
 &rst
  ixpk= 1433, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1604,1605,
 igr2=1609,1610,
 &end
#
#  105 GLN  HB+         105 GLN  HE2-        5.50    (#   1434:15  Unique         1.94, 4.08 A)
 &rst
  ixpk= 1434, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1601,1602,
 igr2=1609,1610,
 &end
#
#  105 GLN  HB-         105 GLN  HE2-        5.50    (#   1435:15  Unique         1.94, 4.08 A)
 &rst
  ixpk= 1435, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1601,1602,
 igr2=1609,1610,
 &end
#
#    0 AMB  15-2:1436   105 GLN  HE2-        5.50    (#   1436:15  Single Ambig)
 &rst
  ixpk= 1436, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1533,1684,1685,1684,1685,
 igr2=1609,1610,
 &end
#
#  101 LEU  MDY         105 GLN  HE2-        5.50    (#   1437:15  Unique         1.86, 5.65 A)
 &rst
  ixpk= 1437, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1535,1536,1537,1539,1540,1541,
 igr2=1609,1610,
 &end
#
#  101 LEU  MDX         105 GLN  HE2-        5.50    (#   1438:15  Unique         1.86, 5.65 A)
 &rst
  ixpk= 1438, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1535,1536,1537,1539,1540,1541,
 igr2=1609,1610,
 &end
#
#   43 GLN  HG-          43 GLN  HE2-        5.50    (#   1440:15  Unique         2.26, 3.41 A)
 &rst
  ixpk= 1440, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 669, 670,
 igr2= 674, 675,
 &end
#
#   43 GLN  HG+          43 GLN  HE2-        5.50    (#   1441:15  Unique         2.26, 3.41 A)
 &rst
  ixpk= 1441, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 669, 670,
 igr2= 674, 675,
 &end
#
#   40 LEU  MDX          43 GLN  HE2-        5.50    (#   1442:15  Unique         3.66, 6.44 A)
 &rst
  ixpk= 1442, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2= 674, 675,
 &end
#
#   42 THR  HN           44 VAL  HN          5.50    (#   1443:15  Unique         4.29, 4.46 A)
 &rst
  ixpk= 1443, nxpk= 15, iat= 648, 679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 VAL  HA           44 VAL  HN          3.50    (#   1444:15  Unique         2.86, 2.92 A)
 &rst
  ixpk= 1444, nxpk= 15, iat= 681, 679, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 LEU  HA           44 VAL  HN          5.50    (#   1445:15  Unique         3.49, 3.58 A)
 &rst
  ixpk= 1445, nxpk= 15, iat= 631, 679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 GLN  QB           44 VAL  HN          3.50    (#   1446:15  Unique         2.70, 3.28 A)
 &rst
  ixpk= 1446, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 666, 667,
 &end
#
#  101 LEU  MDX          44 VAL  HN          5.50    (#   1447:15  Unique         5.79, 7.49 A)
 &rst
  ixpk= 1447, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  15-2:1448    44 VAL  HN          2.50    (#   1448:15  Single Ambig)
 &rst
  ixpk= 1448, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 685, 686, 687, 689, 690, 691, 685, 686, 687, 689,
       690, 691,
 &end
#
#   43 GLN  HN           44 VAL  HN          4.50    (#   1449:15  Unique         2.76, 2.82 A)
 &rst
  ixpk= 1449, nxpk= 15, iat= 662, 679, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 ALA  HN           44 VAL  HN          5.50    (#   1450:15  Unique         3.37, 3.90 A)
 &rst
  ixpk= 1450, nxpk= 15, iat= 702, 679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1451    44 VAL  HN          4.50    (#   1451:15  Single Ambig)
 &rst
  ixpk= 1451, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 664, 612,
 &end
#
#    0 AMB  15-2:1452    44 VAL  HN          4.50    (#   1452:15  Single Ambig)
 &rst
  ixpk= 1452, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 619, 620, 621, 623, 624, 625, 706, 707, 708, 654,
       655, 656,
 &end
#
#  101 LEU  MDY          44 VAL  HN          5.50    (#   1453:15  Unique         5.79, 7.49 A)
 &rst
  ixpk= 1453, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#   40 LEU  MDX          44 VAL  HN          5.50    (#   1454:15  Unique         4.72, 7.00 A)
 &rst
  ixpk= 1454, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   41 LEU  MDX          44 VAL  HN          5.50    (#   1455:15  Unique         5.28, 7.24 A)
 &rst
  ixpk= 1455, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   63 GLN  HA           63 GLN  HE2+        5.50    (#   1456:15  Unique         2.40, 4.23 A)
 &rst
  ixpk= 1456, nxpk= 15, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 967, 968,
 &end
#
#   74 THR  HA           63 GLN  HE2+        5.50    (#   1459:15  Unique         2.84, 4.30 A)
 &rst
  ixpk= 1459, nxpk= 15, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 967, 968,
 &end
#
#   63 GLN  QG           63 GLN  HE2+        4.50    (#   1460:15  Unique         2.23, 3.26 A)
 &rst
  ixpk= 1460, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 962, 963,
 igr2= 967, 968,
 &end
#
#    0 AMB  15-2:1461     0 AMB  15-1:1461   4.50    (#   1461:15  Double Ambig)
 &rst
  ixpk= 1461, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 959, 960, 820,
 igr2= 967, 968, 967, 968,
 &end
#
#   67 ALA  MB           63 GLN  HE2+        5.50    (#   1462:15  Unique         2.69, 5.32 A)
 &rst
  ixpk= 1462, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1016,1017,1018,
 igr2= 967, 968,
 &end
#
#    0 AMB  15-2:1463     0 AMB  15-1:1463   5.50    (#   1463:15  Double Ambig)
 &rst
  ixpk= 1463, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 822, 823, 824, 826, 827, 828,1135,1136,1137,1139,
      1140,1141,
 igr2= 967, 968, 967, 968,
 &end
#
#   63 GLN  HA           63 GLN  HE2-        5.50    (#   1466:15  Unique         2.40, 4.23 A)
 &rst
  ixpk= 1466, nxpk= 15, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 967, 968,
 &end
#
#    0 AMB  15-2:1467    63 GLN  HE2-        5.50    (#   1467:15  Single Ambig)
 &rst
  ixpk= 1467, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 959, 960, 820,
 igr2= 967, 968,
 &end
#
#   67 ALA  MB           63 GLN  HE2-        5.50    (#   1468:15  Unique         2.69, 5.32 A)
 &rst
  ixpk= 1468, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1016,1017,1018,
 igr2= 967, 968,
 &end
#
#   74 THR  HA           63 GLN  HE2-        5.50    (#   1469:15  Unique         2.84, 4.30 A)
 &rst
  ixpk= 1469, nxpk= 15, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 967, 968,
 &end
#
#   63 GLN  QG           63 GLN  HE2-        5.50    (#   1470:15  Unique         2.23, 3.26 A)
 &rst
  ixpk= 1470, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 962, 963,
 igr2= 967, 968,
 &end
#
#   75 VAL  MGY          63 GLN  HE2-        5.50    (#   1471:15  Unique         2.78, 5.57 A)
 &rst
  ixpk= 1471, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1135,1136,1137,1139,1140,1141,
 igr2= 967, 968,
 &end
#
#  109 ALA  HN          110 THR  HN          3.50    (#   1472:15  Unique         2.34, 2.50 A)
 &rst
  ixpk= 1472, nxpk= 15, iat=1646,1656, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:1474   110 THR  HN          3.50    (#   1474:15  Single Ambig)
 &rst
  ixpk= 1474, nxpk= 15, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1658,1648,
 &end
#
#  105 GLN  HA          110 THR  HN          5.50    (#   1475:15  Unique         2.80, 3.16 A)
 &rst
  ixpk= 1475, nxpk= 15, iat=1599,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 LEU  HB+         110 THR  HN          5.50    (#   1476:15  Unique         2.66, 4.01 A)
 &rst
  ixpk= 1476, nxpk= 15, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1582,1583,
 &end
#
#  109 ALA  MB          110 THR  HN          3.50    (#   1477:15  Unique         2.39, 3.59 A)
 &rst
  ixpk= 1477, nxpk= 15, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1650,1651,1652,
 &end
#
#  104 LEU  HB-         110 THR  HN          5.50    (#   1478:15  Unique         2.66, 4.01 A)
 &rst
  ixpk= 1478, nxpk= 15, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1582,1583,
 &end
#
#  110 THR  MG2         110 THR  HN          4.50    (#   1479:15  Unique         2.49, 3.64 A)
 &rst
  ixpk= 1479, nxpk= 15, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1662,1663,1664,
 &end
#
#    0 AMB  15-2:1480   110 THR  HN          5.50    (#   1480:15  Single Ambig)
 &rst
  ixpk= 1480, nxpk= 15, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1535,1536,1537,1539,1540,1541, 338, 339, 340, 342,
       343, 344,
 &end
#
#   44 VAL  HB           45 GLY  HN          5.50    (#   1481:15  Unique         4.06, 4.31 A)
 &rst
  ixpk= 1481, nxpk= 15, iat= 683, 695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 THR  HN           45 GLY  HN          5.50    (#   1482:15  Unique         4.67, 4.94 A)
 &rst
  ixpk= 1482, nxpk= 15, iat= 648, 695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ALA  HN           45 GLY  HN          3.50    (#   1483:15  Unique         2.30, 2.56 A)
 &rst
  ixpk= 1483, nxpk= 15, iat= 702, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 VAL  HA           45 GLY  HN          4.50    (#   1484:15  Unique         3.16, 3.38 A)
 &rst
  ixpk= 1484, nxpk= 15, iat= 681, 695, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 GLY  HA+          45 GLY  HN          3.50    (#   1485:15  Unique         2.26, 2.58 A)
 &rst
  ixpk= 1485, nxpk= 15, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 697, 698,
 &end
#
#   45 GLY  HA-          45 GLY  HN          2.50    (#   1486:15  Unique         2.26, 2.58 A)
 &rst
  ixpk= 1486, nxpk= 15, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 697, 698,
 &end
#
#   43 GLN  QB           45 GLY  HN          5.50    (#   1487:15  Unique         4.79, 5.06 A)
 &rst
  ixpk= 1487, nxpk= 15, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 666, 667,
 &end
#
#    0 AMB  15-2:1488    45 GLY  HN          4.50    (#   1488:15  Single Ambig)
 &rst
  ixpk= 1488, nxpk= 15, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 706, 707, 708, 654, 655, 656,
 &end
#
#    0 AMB  15-2:1489    45 GLY  HN          3.50    (#   1489:15  Single Ambig)
 &rst
  ixpk= 1489, nxpk= 15, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 685, 686, 687, 689, 690, 691, 685, 686, 687, 689,
       690, 691,
 &end
#
#   43 GLN  HN           45 GLY  HN          5.50    (#   1490:15  Unique         3.84, 3.94 A)
 &rst
  ixpk= 1490, nxpk= 15, iat= 662, 695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ALA  HA           45 GLY  HN          5.50    (#   1491:15  Unique         4.95, 5.18 A)
 &rst
  ixpk= 1491, nxpk= 15, iat= 704, 695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 ASN  HD2-         84 GLN  HE2+        5.50    (#   1492:15  Unique         2.26, 4.05 A)
 &rst
  ixpk= 1492, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1276,1277,
 &end
#
#   86 GLY  HA-          84 GLN  HE2+        5.50    (#   1494:15  Unique         2.30, 4.35 A)
 &rst
  ixpk= 1494, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1302,1303,
 igr2=1276,1277,
 &end
#
#   84 GLN  HG-          84 GLN  HE2+        4.50    (#   1495:15  Unique         2.18, 3.16 A)
 &rst
  ixpk= 1495, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1271,1272,
 igr2=1276,1277,
 &end
#
#   84 GLN  HG+          84 GLN  HE2+        4.50    (#   1496:15  Unique         2.18, 3.16 A)
 &rst
  ixpk= 1496, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1271,1272,
 igr2=1276,1277,
 &end
#
#   70 THR  MG2          84 GLN  HE2+        5.50    (#   1497:15  Unique         2.70, 4.80 A)
 &rst
  ixpk= 1497, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1069,1070,1071,
 igr2=1276,1277,
 &end
#
#   77 ASN  HD2+         84 GLN  HE2+        5.50    (#   1498:15  Unique         2.26, 4.05 A)
 &rst
  ixpk= 1498, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1276,1277,
 &end
#
#   70 THR  HB           84 GLN  HE2+        5.50    (#   1499:15  Unique         1.80, 3.61 A)
 &rst
  ixpk= 1499, nxpk= 15, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1276,1277,
 &end
#
#   72 ARG  HD-          84 GLN  HE2+        5.50    (#   1500:15  Unique         2.39, 4.48 A)
 &rst
  ixpk= 1500, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1094,1095,
 igr2=1276,1277,
 &end
#
#   84 GLN  HB-          84 GLN  HE2+        5.50    (#   1501:15  Unique         3.69, 4.72 A)
 &rst
  ixpk= 1501, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1268,1269,
 igr2=1276,1277,
 &end
#
#   77 ASN  HD2+         84 GLN  HE2-        5.50    (#   1502:15  Unique         2.26, 4.05 A)
 &rst
  ixpk= 1502, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1276,1277,
 &end
#
#   77 ASN  HD2-         84 GLN  HE2-        5.50    (#   1503:15  Unique         2.26, 4.05 A)
 &rst
  ixpk= 1503, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1276,1277,
 &end
#
#   86 GLY  HA+          84 GLN  HE2-        5.50    (#   1505:15  Unique         2.30, 4.35 A)
 &rst
  ixpk= 1505, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1302,1303,
 igr2=1276,1277,
 &end
#
#   70 THR  HB           84 GLN  HE2-        5.50    (#   1506:15  Unique         1.80, 3.61 A)
 &rst
  ixpk= 1506, nxpk= 15, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1276,1277,
 &end
#
#   86 GLY  HA-          84 GLN  HE2-        5.50    (#   1507:15  Unique         2.30, 4.35 A)
 &rst
  ixpk= 1507, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1302,1303,
 igr2=1276,1277,
 &end
#
#   72 ARG  HD-          84 GLN  HE2-        5.50    (#   1508:15  Unique         2.39, 4.48 A)
 &rst
  ixpk= 1508, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1094,1095,
 igr2=1276,1277,
 &end
#
#   84 GLN  HG-          84 GLN  HE2-        5.50    (#   1509:15  Unique         2.18, 3.16 A)
 &rst
  ixpk= 1509, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1271,1272,
 igr2=1276,1277,
 &end
#
#   84 GLN  HG+          84 GLN  HE2-        4.50    (#   1510:15  Unique         2.18, 3.16 A)
 &rst
  ixpk= 1510, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1271,1272,
 igr2=1276,1277,
 &end
#
#   70 THR  MG2          84 GLN  HE2-        5.50    (#   1511:15  Unique         2.70, 4.80 A)
 &rst
  ixpk= 1511, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1069,1070,1071,
 igr2=1276,1277,
 &end
#
#   73 GLY  HN           74 THR  HN          4.50    (#   1512:15  Unique         2.50, 2.89 A)
 &rst
  ixpk= 1512, nxpk= 15, iat=1108,1115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 VAL  HN           74 THR  HN          5.50    (#   1513:15  Unique         4.31, 4.59 A)
 &rst
  ixpk= 1513, nxpk= 15, iat=1129,1115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1514    74 THR  HN          3.50    (#   1514:15  Single Ambig)
 &rst
  ixpk= 1514, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1117,1086,
 &end
#
#   73 GLY  HA+          74 THR  HN          4.50    (#   1515:15  Unique         2.77, 3.33 A)
 &rst
  ixpk= 1515, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1110,1111,
 &end
#
#   72 ARG  HD+          74 THR  HN          5.50    (#   1516:15  Unique         2.94, 4.98 A)
 &rst
  ixpk= 1516, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094,1095,
 &end
#
#   72 ARG  HD-          74 THR  HN          5.50    (#   1517:15  Unique         2.94, 4.98 A)
 &rst
  ixpk= 1517, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094,1095,
 &end
#
#   72 ARG  HG-          74 THR  HN          4.50    (#   1518:15  Unique         2.29, 3.57 A)
 &rst
  ixpk= 1518, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1091,1092,
 &end
#
#   74 THR  MG2          74 THR  HN          4.50    (#   1519:15  Unique         2.50, 3.63 A)
 &rst
  ixpk= 1519, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1121,1122,1123,
 &end
#
#   77 ASN  HD2+         74 THR  HN          5.50    (#   1520:15  Unique         2.99, 4.91 A)
 &rst
  ixpk= 1520, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1168,1169,
 &end
#
#    0 AMB  15-2:1521    74 THR  HN          7.00    (#   1521:15  Single Ambig)
 &rst
  ixpk= 1521, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 967, 968,1097,
 &end
#
#   74 THR  HB           74 THR  HN          4.50    (#   1523:15  Unique         2.85, 3.42 A)
 &rst
  ixpk= 1523, nxpk= 15, iat=1119,1115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 GLY  HA-          74 THR  HN          4.50    (#   1524:15  Unique         2.77, 3.33 A)
 &rst
  ixpk= 1524, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1110,1111,
 &end
#
#   72 ARG  HG+          74 THR  HN          4.50    (#   1525:15  Unique         2.29, 3.57 A)
 &rst
  ixpk= 1525, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1091,1092,
 &end
#
#    0 AMB  15-2:1526    74 THR  HN          5.50    (#   1526:15  Single Ambig)
 &rst
  ixpk= 1526, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1135,1136,1137,1139,1140,1141,1135,1136,1137,1139,
      1140,1141,
 &end
#
#   58 ASP  HB-          59 GLY  HN          5.50    (#   1527:15  Unique         3.95, 4.39 A)
 &rst
  ixpk= 1527, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 893, 894,
 &end
#
#    0 AMB  15-2:1528    59 GLY  HN          5.50    (#   1528:15  Single Ambig)
 &rst
  ixpk= 1528, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 893, 894, 926, 927,
 &end
#
#   58 ASP  HN           59 GLY  HN          3.50    (#   1529:15  Unique         2.24, 2.32 A)
 &rst
  ixpk= 1529, nxpk= 15, iat= 889, 901, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 GLN  HN           59 GLY  HN          5.50    (#   1530:15  Unique         4.19, 4.62 A)
 &rst
  ixpk= 1530, nxpk= 15, iat= 919, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 LEU  HN           59 GLY  HN          5.50    (#   1531:15  Unique         4.13, 4.42 A)
 &rst
  ixpk= 1531, nxpk= 15, iat= 859, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 ASP  HA           59 GLY  HN          4.50    (#   1532:15  Unique         2.84, 2.95 A)
 &rst
  ixpk= 1532, nxpk= 15, iat= 891, 901, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 SER  QB           59 GLY  HN          5.50    (#   1534:15  Unique         5.27, 6.12 A)
 &rst
  ixpk= 1534, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 912, 913,
 &end
#
#   57 SER  HA           59 GLY  HN          5.50    (#   1535:15  Unique         4.03, 4.12 A)
 &rst
  ixpk= 1535, nxpk= 15, iat= 880, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 GLY  HA+          59 GLY  HN          3.50    (#   1536:15  Unique         2.23, 2.48 A)
 &rst
  ixpk= 1536, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 903, 904,
 &end
#
#   62 LEU  HB+          59 GLY  HN          5.50    (#   1537:15  Unique         4.43, 5.12 A)
 &rst
  ixpk= 1537, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 940, 941,
 &end
#
#   56 LEU  HG           59 GLY  HN          5.50    (#   1538:15  Unique         2.98, 3.48 A)
 &rst
  ixpk= 1538, nxpk= 15, iat= 866, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 LEU  HB+          59 GLY  HN          4.50    (#   1539:15  Unique         2.69, 3.88 A)
 &rst
  ixpk= 1539, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 863, 864,
 &end
#
#   56 LEU  HB-          59 GLY  HN          4.50    (#   1540:15  Unique         2.69, 3.88 A)
 &rst
  ixpk= 1540, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 863, 864,
 &end
#
#   53 LEU  MDX          59 GLY  HN          5.50    (#   1541:15  Unique         4.85, 7.15 A)
 &rst
  ixpk= 1541, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   56 LEU  MDX          59 GLY  HN          5.50    (#   1542:15  Unique         3.14, 5.30 A)
 &rst
  ixpk= 1542, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 868, 869, 870, 872, 873, 874,
 &end
#
#    0 AMB  15-2:1543    59 GLY  HN          5.50    (#   1543:15  Single Ambig)
 &rst
  ixpk= 1543, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 936, 955,
 &end
#
#    0 AMB  15-2:1544    59 GLY  HN          4.50    (#   1544:15  Single Ambig)
 &rst
  ixpk= 1544, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 815, 882, 883,
 &end
#
#    0 AMB  15-2:1545    59 GLY  HN          5.50    (#   1545:15  Single Ambig)
 &rst
  ixpk= 1545, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 820, 923, 924, 959, 960,
 &end
#
#   88 CYS  HN           87 GLY  HN          5.50    (#   1546:15  Unique         4.21, 4.27 A)
 &rst
  ixpk= 1546, nxpk= 15, iat=1314,1307, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 GLY  HA+          87 GLY  HN          4.50    (#   1548:15  Unique         2.41, 2.76 A)
 &rst
  ixpk= 1548, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1309,1310,
 &end
#
#   86 GLY  HA+          87 GLY  HN          3.50    (#   1549:15  Unique         2.16, 2.63 A)
 &rst
  ixpk= 1549, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1302,1303,
 &end
#
#   90 THR  HB           87 GLY  HN          4.50    (#   1550:15  Unique         2.37, 2.51 A)
 &rst
  ixpk= 1550, nxpk= 15, iat=1341,1307, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1551    87 GLY  HN          3.50    (#   1551:15  Single Ambig)
 &rst
  ixpk= 1551, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1302,1303,1309,1310,
 &end
#
#   72 ARG  HD+          87 GLY  HN          5.50    (#   1552:15  Unique         4.08, 5.07 A)
 &rst
  ixpk= 1552, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094,1095,
 &end
#
#   90 THR  MG2          87 GLY  HN          4.50    (#   1553:15  Unique         3.60, 4.26 A)
 &rst
  ixpk= 1553, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1343,1344,1345,
 &end
#
#    0 AMB  15-2:1554    87 GLY  HN          5.50    (#   1554:15  Single Ambig)
 &rst
  ixpk= 1554, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   85 ILE  MG2          87 GLY  HN          5.50    (#   1555:15  Unique         4.76, 6.10 A)
 &rst
  ixpk= 1555, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1287,1288,1289,
 &end
#
#   86 GLY  HN           87 GLY  HN          5.50    (#   1556:15  Unique         3.99, 4.16 A)
 &rst
  ixpk= 1556, nxpk= 15, iat=1300,1307, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ALA  HN           19 SER  HN          5.50    (#   1557:15  Unique         4.15, 4.40 A)
 &rst
  ixpk= 1557, nxpk= 15, iat= 308, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 ALA  HN           19 SER  HN          4.50    (#   1558:15  Unique         2.78, 2.83 A)
 &rst
  ixpk= 1558, nxpk= 15, iat= 276, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 SER  HN           19 SER  HN          3.50    (#   1559:15  Unique         2.01, 2.22 A)
 &rst
  ixpk= 1559, nxpk= 15, iat= 297, 286, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 SER  HA           19 SER  HN          4.50    (#   1561:15  Unique         2.94, 2.98 A)
 &rst
  ixpk= 1561, nxpk= 15, iat= 288, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 SER  HA           19 SER  HN          5.50    (#   1562:15  Unique         4.48, 4.64 A)
 &rst
  ixpk= 1562, nxpk= 15, iat= 299, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 SER  HB-          19 SER  HN          3.50    (#   1563:15  Unique         2.51, 3.19 A)
 &rst
  ixpk= 1563, nxpk= 15, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 290, 291,
 &end
#
#    0 AMB  15-2:1564    19 SER  HN          4.50    (#   1564:15  Single Ambig)
 &rst
  ixpk= 1564, nxpk= 15, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 278, 222,1237,1238,
 &end
#
#    0 AMB  15-2:1565    19 SER  HN          3.50    (#   1565:15  Single Ambig)
 &rst
  ixpk= 1565, nxpk= 15, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 280, 281, 282, 354, 355, 356, 358, 359, 360,
 &end
#
#   24 VAL  MGX          19 SER  HN          5.50    (#   1566:15  Unique         3.75, 5.46 A)
 &rst
  ixpk= 1566, nxpk= 15, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   17 LEU  HN           19 SER  HN          5.50    (#   1567:15  Unique         4.02, 4.08 A)
 &rst
  ixpk= 1567, nxpk= 15, iat= 257, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1568    19 SER  HN          5.50    (#   1568:15  Single Ambig)
 &rst
  ixpk= 1568, nxpk= 15, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 242, 220,
 &end
#
#   19 SER  HB+          19 SER  HN          4.50    (#   1569:15  Unique         2.51, 3.19 A)
 &rst
  ixpk= 1569, nxpk= 15, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 290, 291,
 &end
#
#   80 ILE  HN           82 GLY  HN          5.50    (#   1570:15  Unique         3.79, 3.96 A)
 &rst
  ixpk= 1570, nxpk= 15, iat=1209,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PHE  HB+          82 GLY  HN          5.50    (#   1571:15  Unique         3.55, 4.38 A)
 &rst
  ixpk= 1571, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#   83 LYS  HN           82 GLY  HN          4.50    (#   1572:15  Unique         2.68, 2.74 A)
 &rst
  ixpk= 1572, nxpk= 15, iat=1242,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1573    82 GLY  HN          5.50    (#   1573:15  Single Ambig)
 &rst
  ixpk= 1573, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1211, 334,
 &end
#
#    0 AMB  15-2:1575    82 GLY  HN          5.50    (#   1575:15  Single Ambig)
 &rst
  ixpk= 1575, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 288,1244,
 &end
#
#   81 GLY  HA+          82 GLY  HN          5.50    (#   1576:15  Unique         2.98, 3.29 A)
 &rst
  ixpk= 1576, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1230,1231,
 &end
#
#   82 GLY  HA-          82 GLY  HN          3.50    (#   1577:15  Unique         2.28, 2.57 A)
 &rst
  ixpk= 1577, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1237,1238,
 &end
#
#   81 GLY  HN           82 GLY  HN          4.50    (#   1578:15  Unique         2.75, 2.80 A)
 &rst
  ixpk= 1578, nxpk= 15, iat=1228,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 GLY  HA-          82 GLY  HN          4.50    (#   1579:15  Unique         2.98, 3.29 A)
 &rst
  ixpk= 1579, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1230,1231,
 &end
#
#   79 PHE  HB-          82 GLY  HN          5.50    (#   1580:15  Unique         3.55, 4.38 A)
 &rst
  ixpk= 1580, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#    0 AMB  15-2:1581    82 GLY  HN          5.50    (#   1581:15  Single Ambig)
 &rst
  ixpk= 1581, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1249,1250,1630,1631,1632,
 &end
#
#   80 ILE  MG2          82 GLY  HN          5.50    (#   1582:15  Unique         5.07, 5.66 A)
 &rst
  ixpk= 1582, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1215,1216,1217,
 &end
#
#    0 AMB  15-2:1583    82 GLY  HN          5.50    (#   1583:15  Single Ambig)
 &rst
  ixpk= 1583, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1197,1205, 286,
 &end
#
#    0 AMB  15-2:1584    82 GLY  HN          5.50    (#   1584:15  Single Ambig)
 &rst
  ixpk= 1584, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1246,1247, 352,
 &end
#
#   77 ASN  HB-          77 ASN  HD2+        5.50    (#   1586:15  Unique         2.18, 3.19 A)
 &rst
  ixpk= 1586, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1163,1164,
 igr2=1168,1169,
 &end
#
#   66 LEU  MDX          77 ASN  HD2+        5.50    (#   1587:15  Unique         2.18, 5.24 A)
 &rst
  ixpk= 1587, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2=1168,1169,
 &end
#
#   66 LEU  MDY          77 ASN  HD2+        5.50    (#   1588:15  Unique         2.18, 5.24 A)
 &rst
  ixpk= 1588, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2=1168,1169,
 &end
#
#   77 ASN  HB+          77 ASN  HD2+        5.50    (#   1589:15  Unique         2.18, 3.19 A)
 &rst
  ixpk= 1589, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1163,1164,
 igr2=1168,1169,
 &end
#
#    0 AMB  15-2:1590     0 AMB  15-1:1590   5.50    (#   1590:15  Double Ambig)
 &rst
  ixpk= 1590, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1091,1092,1088,1089,
 igr2=1168,1169,1168,1169,
 &end
#
#   77 ASN  HB-          77 ASN  HD2-        5.50    (#   1591:15  Unique         2.18, 3.19 A)
 &rst
  ixpk= 1591, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1163,1164,
 igr2=1168,1169,
 &end
#
#    0 AMB  15-2:1592    77 ASN  HD2-        4.50    (#   1592:15  Single Ambig)
 &rst
  ixpk= 1592, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1069,1070,1071,1002,1003,1004,1006,1007,1008,
 igr2=1168,1169,
 &end
#
#   77 ASN  HB+          77 ASN  HD2-        5.50    (#   1593:15  Unique         2.18, 3.19 A)
 &rst
  ixpk= 1593, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1163,1164,
 igr2=1168,1169,
 &end
#
#    0 AMB  15-2:1594    77 ASN  HD2-        5.50    (#   1594:15  Single Ambig)
 &rst
  ixpk= 1594, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1088,1089,1000,
 igr2=1168,1169,
 &end
#
#    0 AMB  15-2:1596    70 THR  HN          5.50    (#   1596:15  Single Ambig)
 &rst
  ixpk= 1596, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1091,1092,1016,1017,1018, 987, 988, 989,
 &end
#
#   69 TRP  HN           70 THR  HN          4.50    (#   1597:15  Unique         2.62, 2.69 A)
 &rst
  ixpk= 1597, nxpk= 15, iat=1039,1063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 GLY  HN           70 THR  HN          3.50    (#   1598:15  Unique         2.12, 2.37 A)
 &rst
  ixpk= 1598, nxpk= 15, iat=1077,1063, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 TRP  HE3          70 THR  HN          5.50    (#   1599:15  Unique         4.19, 4.81 A)
 &rst
  ixpk= 1599, nxpk= 15, iat=1058,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1601    70 THR  HN          4.50    (#   1601:15  Single Ambig)
 &rst
  ixpk= 1601, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1079,1080,1024,
 &end
#
#    0 AMB  15-2:1602    70 THR  HN          4.50    (#   1602:15  Single Ambig)
 &rst
  ixpk= 1602, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1065, 995,
 &end
#
#   67 ALA  HA           70 THR  HN          4.50    (#   1603:15  Unique         3.62, 3.86 A)
 &rst
  ixpk= 1603, nxpk= 15, iat=1014,1063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1604    70 THR  HN          3.50    (#   1604:15  Single Ambig)
 &rst
  ixpk= 1604, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1043,1044,1043,1044,
 &end
#
#   70 THR  MG2          70 THR  HN          3.50    (#   1605:15  Unique         2.32, 3.32 A)
 &rst
  ixpk= 1605, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1069,1070,1071,
 &end
#
#   78 VAL  HN           86 GLY  HN          4.50    (#   1607:15  Unique         2.99, 3.07 A)
 &rst
  ixpk= 1607, nxpk= 15, iat=1173,1300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 GLY  HA-          86 GLY  HN          4.50    (#   1609:15  Unique         2.72, 2.82 A)
 &rst
  ixpk= 1609, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1302,1303,
 &end
#
#    0 AMB  15-2:1610    86 GLY  HN          5.50    (#   1610:15  Single Ambig)
 &rst
  ixpk= 1610, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   85 ILE  MG2          86 GLY  HN          4.50    (#   1611:15  Unique         2.99, 4.33 A)
 &rst
  ixpk= 1611, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1287,1288,1289,
 &end
#
#   85 ILE  HN           86 GLY  HN          4.50    (#   1612:15  Unique         2.08, 2.19 A)
 &rst
  ixpk= 1612, nxpk= 15, iat=1281,1300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 GLY  HA+          86 GLY  HN          4.50    (#   1613:15  Unique         2.72, 2.82 A)
 &rst
  ixpk= 1613, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1302,1303,
 &end
#
#   85 ILE  HA           86 GLY  HN          5.50    (#   1614:15  Unique         3.62, 3.65 A)
 &rst
  ixpk= 1614, nxpk= 15, iat=1283,1300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1615    86 GLY  HN          5.50    (#   1615:15  Single Ambig)
 &rst
  ixpk= 1615, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1266,1094,1095,
 &end
#
#   78 VAL  HB           86 GLY  HN          5.50    (#   1616:15  Unique         3.04, 3.24 A)
 &rst
  ixpk= 1616, nxpk= 15, iat=1177,1300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1617    86 GLY  HN          4.50    (#   1617:15  Single Ambig)
 &rst
  ixpk= 1617, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1285,1271,1272,
 &end
#
#   84 GLN  HG+          86 GLY  HN          5.50    (#   1618:15  Unique         2.65, 4.50 A)
 &rst
  ixpk= 1618, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1271,1272,
 &end
#
#   85 ILE  HG1+         86 GLY  HN          5.50    (#   1619:15  Unique         4.17, 4.61 A)
 &rst
  ixpk= 1619, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1291,1292,
 &end
#
#   78 VAL  MGX          86 GLY  HN          5.50    (#   1620:15  Unique         4.21, 5.42 A)
 &rst
  ixpk= 1620, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  15-2:1621    86 GLY  HN          5.50    (#   1621:15  Single Ambig)
 &rst
  ixpk= 1621, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1268,1269,1343,1344,1345,
 &end
#
#  115 ALA  MB          117 LEU  HN          7.00    (#   1622:15  Unique         2.64, 6.49 A)
 &rst
  ixpk= 1622, nxpk= 15, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1734,1735,1736,
 &end
#
#    0 AMB  15-2:1623   117 LEU  HN          5.50    (#   1623:15  Single Ambig)
 &rst
  ixpk= 1623, nxpk= 15, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1766,1767,1768,1770,1771,1772,1766,1767,1768,1770,
      1771,1772,
 &end
#
#   26 PHE  HD           51 VAL  HN          5.50    (#   1624:15  Unique         4.98, 5.77 A)
 &rst
  ixpk= 1624, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 388, 396,
 &end
#
#    0 AMB  15-2:1626    51 VAL  HN          5.50    (#   1626:15  Single Ambig)
 &rst
  ixpk= 1626, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 366, 746,
 &end
#
#   25 VAL  MGY          51 VAL  HN          5.50    (#   1627:15  Unique         4.25, 5.82 A)
 &rst
  ixpk= 1627, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   23 VAL  HA           79 PHE  HN          5.50    (#   1628:15  Unique         4.54, 4.59 A)
 &rst
  ixpk= 1628, nxpk= 15, iat= 334,1189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1629    79 PHE  HN          5.50    (#   1629:15  Single Ambig)
 &rst
  ixpk= 1629, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1266, 384, 385,
 &end
#
#    0 AMB  15-2:1630    79 PHE  HN          5.50    (#   1630:15  Single Ambig)
 &rst
  ixpk= 1630, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1219,1220,1271,1272,
 &end
#
#    0 AMB  15-2:1631    79 PHE  HN          5.50    (#   1631:15  Single Ambig)
 &rst
  ixpk= 1631, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 370, 371, 372, 374, 375, 376,1294,1295,1296,
 &end
#
#    0 AMB  15-2:1632    69 TRP  HE1         7.00    (#   1632:15  Single Ambig)
 &rst
  ixpk= 1632, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1264,1039,
 &end
#
#   69 TRP  HZ3          69 TRP  HE1         7.00    (#   1634:15  Unique         5.99, 6.00 A)
 &rst
  ixpk= 1634, nxpk= 15, iat=1056,1049, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   15 LYS  HA           69 TRP  HE1         7.00    (#   1635:15  Unique         5.94, 6.45 A)
 &rst
  ixpk= 1635, nxpk= 15, iat= 222,1049, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   36 ARG  HN           33 TYR  HN          5.50    (#   1636:15  Unique         4.34, 4.55 A)
 &rst
  ixpk= 1636, nxpk= 15, iat= 531, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 CYS  HB-          33 TYR  HN          5.50    (#   1637:15  Unique         5.70, 6.07 A)
 &rst
  ixpk= 1637, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1318,1319,
 &end
#
#   32 GLY  HN           34 CYS  HN          5.50    (#   1639:15  Unique         4.07, 4.26 A)
 &rst
  ixpk= 1639, nxpk= 15, iat= 478, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 TYR  HD           34 CYS  HN          5.50    (#   1640:15  Unique         4.49, 5.16 A)
 &rst
  ixpk= 1640, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 493, 502,
 &end
#
#   36 ARG  HN           34 CYS  HN          5.50    (#   1642:15  Unique         3.84, 3.99 A)
 &rst
  ixpk= 1642, nxpk= 15, iat= 531, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1643    34 CYS  HN          5.50    (#   1643:15  Single Ambig)
 &rst
  ixpk= 1643, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 561, 562, 563, 565, 566, 567,1135,1136,1137,1139,
      1140,1141,1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  15-2:1644    34 CYS  HN          7.00    (#   1644:15  Single Ambig)
 &rst
  ixpk= 1644, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
 igr1= 561, 562, 563, 565, 566, 567, 415, 416, 415, 416,
      
 &end
#
#    0 AMB  15-2:1645    34 CYS  HN          5.50    (#   1645:15  Single Ambig)
 &rst
  ixpk= 1645, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1149,1150,1152,1153,
 &end
#
#   79 PHE  HD           24 VAL  HN          5.50    (#   1646:15  Unique         4.83, 5.73 A)
 &rst
  ixpk= 1646, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1197,1205,
 &end
#
#   48 TYR  HB-          24 VAL  HN          5.50    (#   1647:15  Unique         4.60, 5.16 A)
 &rst
  ixpk= 1647, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#    0 AMB  15-2:1648    24 VAL  HN          4.50    (#   1648:15  Single Ambig)
 &rst
  ixpk= 1648, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1179,1180,1181,1183,1184,1185, 370, 371, 372, 374,
       375, 376,
 &end
#
#    0 AMB  15-2:1659    26 PHE  HN          5.50    (#   1659:15  Single Ambig)
 &rst
  ixpk= 1659, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1155, 402,
 &end
#
#   26 PHE  HB+          26 PHE  HN          4.50    (#   1660:15  Unique         2.38, 3.04 A)
 &rst
  ixpk= 1660, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 384, 385,
 &end
#
#   53 LEU  MDX          26 PHE  HN          5.50    (#   1662:15  Unique         5.67, 7.18 A)
 &rst
  ixpk= 1662, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   66 LEU  MDX          26 PHE  HN          5.50    (#   1664:15  Unique         5.00, 6.69 A)
 &rst
  ixpk= 1664, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   55 GLU  HN           52 GLU  HN          5.50    (#   1665:15  Unique         5.00, 5.25 A)
 &rst
  ixpk= 1665, nxpk= 15, iat= 844, 798, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1666    52 GLU  HN          5.50    (#   1666:15  Single Ambig)
 &rst
  ixpk= 1666, nxpk= 15, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 768, 861,
 &end
#
#   79 PHE  HD           78 VAL  HN          5.50    (#   1667:15  Unique         4.08, 6.04 A)
 &rst
  ixpk= 1667, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1197,1205,
 &end
#
#   87 GLY  HA+          78 VAL  HN          5.50    (#   1668:15  Unique         2.80, 3.92 A)
 &rst
  ixpk= 1668, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1309,1310,
 &end
#
#    0 AMB  15-2:1669    78 VAL  HN          7.00    (#   1669:15  Single Ambig)
 &rst
  ixpk= 1669, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1131,1283,
 &end
#
#    0 AMB  15-2:1671    78 VAL  HN          5.50    (#   1671:15  Single Ambig)
 &rst
  ixpk= 1671, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1271,1272,1088,1089,
 &end
#
#   55 GLU  HN           53 LEU  HN          5.50    (#   1672:15  Unique         4.25, 4.50 A)
 &rst
  ixpk= 1672, nxpk= 15, iat= 844, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1673    53 LEU  HN          5.50    (#   1673:15  Single Ambig)
 &rst
  ixpk= 1673, nxpk= 15, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 424, 425, 384, 385,
 &end
#
#    0 AMB  15-2:1674    53 LEU  HN          5.50    (#   1674:15  Single Ambig)
 &rst
  ixpk= 1674, nxpk= 15, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 836, 837, 510, 511,
 &end
#
#   53 LEU  HB-          53 LEU  HN          4.50    (#   1675:15  Unique         2.22, 2.97 A)
 &rst
  ixpk= 1675, nxpk= 15, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 817, 818,
 &end
#
#    0 AMB  15-2:1676    25 VAL  HN          5.50    (#   1676:15  Single Ambig)
 &rst
  ixpk= 1676, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 727, 728,1193,1194,
 &end
#
#   86 GLY  HA-          85 ILE  HN          5.50    (#   1677:15  Unique         4.35, 4.67 A)
 &rst
  ixpk= 1677, nxpk= 15, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1302,1303,
 &end
#
#   49 LYS  QD           25 VAL  HN          5.50    (#   1678:15  Unique         4.11, 5.86 A)
 &rst
  ixpk= 1678, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 754, 755,
 &end
#
#   63 GLN  HE2-         67 ALA  HN          5.50    (#   1679:15  Unique         2.86, 5.07 A)
 &rst
  ixpk= 1679, nxpk= 15, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 967, 968,
 &end
#
#   68 HIS  HD2           0 AMB  15-1:1680   5.50    (#   1680:15  Single Ambig)
 &rst
  ixpk= 1680, nxpk= 15, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 983,1012,
 &end
#
#    0 AMB  15-2:1681     0 AMB  15-1:1681   3.50    (#   1681:15  Double Ambig)
 &rst
  ixpk= 1681, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 976, 977, 957,
 igr2= 983,1012,
 &end
#
#   51 VAL  HA           50 VAL  HN          5.50    (#   1682:15  Unique         4.59, 4.77 A)
 &rst
  ixpk= 1682, nxpk= 15, iat= 784, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1683    50 VAL  HN          5.50    (#   1683:15  Single Ambig)
 &rst
  ixpk= 1683, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 757, 758, 584, 585,
 &end
#
#   24 VAL  MGX          50 VAL  HN          5.50    (#   1684:15  Unique         4.68, 6.40 A)
 &rst
  ixpk= 1684, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   25 VAL  MGY          50 VAL  HN          5.50    (#   1685:15  Unique         5.44, 7.17 A)
 &rst
  ixpk= 1685, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   79 PHE  HZ           84 GLN  HN          5.50    (#   1689:15  Unique         4.50, 5.03 A)
 &rst
  ixpk= 1689, nxpk= 15, iat=1201,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85 ILE  HA           84 GLN  HN          5.50    (#   1690:15  Unique         5.38, 5.44 A)
 &rst
  ixpk= 1690, nxpk= 15, iat=1283,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 ALA  MB           84 GLN  HN          5.50    (#   1691:15  Unique         5.89, 6.74 A)
 &rst
  ixpk= 1691, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 280, 281, 282,
 &end
#
#   83 LYS  QE           84 GLN  HN          5.50    (#   1692:15  Unique         4.08, 5.19 A)
 &rst
  ixpk= 1692, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1255,1256,
 &end
#
#   70 THR  HB           84 GLN  HN          7.00    (#   1693:15  Unique         5.87, 6.77 A)
 &rst
  ixpk= 1693, nxpk= 15, iat=1067,1264, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   43 GLN  HE2+         43 GLN  HN          5.50    (#   1694:15  Unique         2.64, 4.00 A)
 &rst
  ixpk= 1694, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 674, 675,
 &end
#
#   41 LEU  MDX          43 GLN  HN          5.50    (#   1696:15  Unique         5.86, 7.53 A)
 &rst
  ixpk= 1696, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   61 GLN  HE2-         61 GLN  HN          5.50    (#   1697:15  Unique         3.97, 5.04 A)
 &rst
  ixpk= 1697, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 931, 932,
 &end
#
#   59 GLY  HA+          61 GLN  HN          5.50    (#   1698:15  Unique         4.23, 4.67 A)
 &rst
  ixpk= 1698, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 903, 904,
 &end
#
#   61 GLN  HB-          61 GLN  HN          4.50    (#   1699:15  Unique         2.02, 3.09 A)
 &rst
  ixpk= 1699, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 923, 924,
 &end
#
#   53 LEU  MDX          61 GLN  HN          5.50    (#   1700:15  Unique         5.92, 7.83 A)
 &rst
  ixpk= 1700, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   41 LEU  MDX          49 LYS  HN          5.50    (#   1701:15  Unique         4.88, 7.01 A)
 &rst
  ixpk= 1701, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  15-2:1702    21 ALA  HN          7.00    (#   1702:15  Single Ambig)
 &rst
  ixpk= 1702, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 348, 364,
 &end
#
#   48 TYR  HA           21 ALA  HN          7.00    (#   1704:15  Unique         6.44, 6.62 A)
 &rst
  ixpk= 1704, nxpk= 15, iat= 725, 308, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   23 VAL  HA           21 ALA  HN          7.00    (#   1705:15  Unique         6.04, 6.17 A)
 &rst
  ixpk= 1705, nxpk= 15, iat= 334, 308, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   28 LYS  HA           28 LYS  HN          5.50    (#   1706:15  Unique         2.91, 2.95 A)
 &rst
  ixpk= 1706, nxpk= 15, iat= 413, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   99 GLU  HA          100 LEU  HN          5.50    (#   1708:15  Unique         3.52, 3.54 A)
 &rst
  ixpk= 1708, nxpk= 15, iat=1494,1507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1709   100 LEU  HN          5.50    (#   1709:15  Single Ambig)
 &rst
  ixpk= 1709, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1411,1412,1411,1412,
 &end
#
#   31 CYS  HB-          28 LYS  HN          5.50    (#   1710:15  Unique         2.52, 4.45 A)
 &rst
  ixpk= 1710, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 473, 472,
 &end
#
#    0 AMB  15-2:1711    21 ALA  HN          5.50    (#   1711:15  Single Ambig)
 &rst
  ixpk= 1711, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 328,1237,1238,
 &end
#
#    0 AMB  15-2:1712    21 ALA  HN          5.50    (#   1712:15  Single Ambig)
 &rst
  ixpk= 1712, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 290, 291, 259,
 &end
#
#   49 LYS  HB-          21 ALA  HN          5.50    (#   1713:15  Unique         4.40, 4.83 A)
 &rst
  ixpk= 1713, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 748, 749,
 &end
#
#   22 PRO  HG+          21 ALA  HN          7.00    (#   1714:15  Unique         6.42, 6.70 A)
 &rst
  ixpk= 1714, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 322, 323,
 &end
#
#    0 AMB  15-2:1715    34 CYS  HN          5.50    (#   1715:15  Single Ambig)
 &rst
  ixpk= 1715, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1152,1153, 521, 522,
 &end
#
#   36 ARG  HA           34 CYS  HN          7.00    (#   1716:15  Unique         6.61, 6.75 A)
 &rst
  ixpk= 1716, nxpk= 15, iat= 533, 506, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   25 VAL  MGY          24 VAL  HN          5.50    (#   1717:15  Unique         3.95, 5.92 A)
 &rst
  ixpk= 1717, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#    6 GLU  HB-           7 LEU  HN          4.50    (#   1718:15  Unique         2.57, 3.22 A)
 &rst
  ixpk= 1718, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  85,  86,
 &end
#
#    0 AMB  15-2:1719    77 ASN  HN          5.50    (#   1719:15  Single Ambig)
 &rst
  ixpk= 1719, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1309,1310,1146,1147, 510, 511,
 &end
#
#   77 ASN  HB-          77 ASN  HN          4.50    (#   1720:15  Unique         2.62, 2.94 A)
 &rst
  ixpk= 1720, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1163,1164,
 &end
#
#   25 VAL  MGY          77 ASN  HN          5.50    (#   1721:15  Unique         3.08, 5.52 A)
 &rst
  ixpk= 1721, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   78 VAL  MGX          77 ASN  HN          4.50    (#   1722:15  Unique         3.75, 5.62 A)
 &rst
  ixpk= 1722, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1179,1180,1181,1183,1184,1185,
 &end
#
#   75 VAL  MGY          77 ASN  HN          4.50    (#   1723:15  Unique         3.46, 5.75 A)
 &rst
  ixpk= 1723, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1135,1136,1137,1139,1140,1141,
 &end
#
#   66 LEU  MDY          77 ASN  HN          5.50    (#   1724:15  Unique         5.16, 7.51 A)
 &rst
  ixpk= 1724, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  15-2:1725    46 ALA  HN          5.50    (#   1725:15  Single Ambig)
 &rst
  ixpk= 1725, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1660, 681,
 &end
#
#    0 AMB  15-2:1726    46 ALA  HN          5.50    (#   1726:15  Single Ambig)
 &rst
  ixpk= 1726, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 636,1650,1651,1652,
 &end
#
#  104 LEU  MDX          46 ALA  HN          5.50    (#   1727:15  Unique         4.08, 5.74 A)
 &rst
  ixpk= 1727, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1587,1588,1589,1591,1592,1593,
 &end
#
#   41 LEU  MDY          46 ALA  HN          5.50    (#   1728:15  Unique         4.69, 6.38 A)
 &rst
  ixpk= 1728, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  15-2:1729    14 ALA  HN          7.00    (#   1729:15  Single Ambig)
 &rst
  ixpk= 1729, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 137, 127,
 &end
#
#    0 AMB  15-2:1730    14 ALA  HN          4.50    (#   1730:15  Single Ambig)
 &rst
  ixpk= 1730, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 195, 196, 987, 988, 989,
 &end
#
#    0 AMB  15-2:1731    14 ALA  HN          5.50    (#   1731:15  Single Ambig)
 &rst
  ixpk= 1731, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 264, 280, 281, 282,
 &end
#
#    0 AMB  15-2:1732    14 ALA  HN          5.50    (#   1732:15  Single Ambig)
 &rst
  ixpk= 1732, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 156, 157, 158, 160, 161, 162, 943,
 &end
#
#   66 LEU  MDX          14 ALA  HN          5.50    (#   1733:15  Unique         5.04, 6.79 A)
 &rst
  ixpk= 1733, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   26 PHE  HE           18 ALA  HN          5.50    (#   1734:15  Unique         4.09, 4.37 A)
 &rst
  ixpk= 1734, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 390, 394,
 &end
#
#    0 AMB  15-2:1736    18 ALA  HN          5.50    (#   1736:15  Single Ambig)
 &rst
  ixpk= 1736, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 352, 192, 193,
 &end
#
#   15 LYS  HG-          18 ALA  HN          5.50    (#   1737:15  Unique         5.68, 5.96 A)
 &rst
  ixpk= 1737, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 227, 228,
 &end
#
#   66 LEU  MDX          18 ALA  HN          5.50    (#   1738:15  Unique         5.88, 7.26 A)
 &rst
  ixpk= 1738, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   51 VAL  MGX          18 ALA  HN          5.50    (#   1739:15  Unique         5.32, 7.17 A)
 &rst
  ixpk= 1739, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  15-2:1740    18 ALA  HN          4.50    (#   1740:15  Single Ambig)
 &rst
  ixpk= 1740, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 266, 267, 268, 270, 271, 272, 945, 946, 947, 949,
       950, 951,
 &end
#
#   99 GLU  HN          101 LEU  HN          5.50    (#   1741:15  Unique         3.48, 3.77 A)
 &rst
  ixpk= 1741, nxpk= 15, iat=1492,1526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100 LEU  HB-         101 LEU  HN          5.50    (#   1743:15  Unique         2.56, 3.28 A)
 &rst
  ixpk= 1743, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1511,1512,
 &end
#
#   72 ARG  HG-          72 ARG  HN          5.50    (#   1744:15  Unique         2.65, 4.45 A)
 &rst
  ixpk= 1744, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1091,1092,
 &end
#
#  106 ASP  HB+         106 ASP  HN          3.50    (#   1745:15  Unique         2.34, 2.50 A)
 &rst
  ixpk= 1745, nxpk= 15, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1618,1619,
 &end
#
#   53 LEU  MDX          62 LEU  HN          5.50    (#   1746:15  Unique         4.27, 6.17 A)
 &rst
  ixpk= 1746, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   62 LEU  HG           62 LEU  HN          4.50    (#   1747:15  Unique         3.77, 4.30 A)
 &rst
  ixpk= 1747, nxpk= 15, iat= 943, 936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 LEU  MDX           6 GLU  HN          5.50    (#   1748:15  Unique         6.52, 7.53 A)
 &rst
  ixpk= 1748, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#   24 VAL  HN           81 GLY  HN          5.50    (#   1749:15  Unique         5.40, 5.49 A)
 &rst
  ixpk= 1749, nxpk= 15, iat= 348,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   80 ILE  HN           81 GLY  HN          5.50    (#   1750:15  Unique         4.22, 4.23 A)
 &rst
  ixpk= 1750, nxpk= 15, iat=1209,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83 LYS  HN           81 GLY  HN          5.50    (#   1751:15  Unique         4.30, 4.36 A)
 &rst
  ixpk= 1751, nxpk= 15, iat=1242,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 PRO  HA           81 GLY  HN          4.50    (#   1752:15  Unique         3.15, 3.33 A)
 &rst
  ixpk= 1752, nxpk= 15, iat= 328,1228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 ILE  HB           81 GLY  HN          5.50    (#   1753:15  Unique         3.98, 4.09 A)
 &rst
  ixpk= 1753, nxpk= 15, iat=1213,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   80 ILE  HG1+         81 GLY  HN          5.50    (#   1754:15  Unique         4.32, 4.75 A)
 &rst
  ixpk= 1754, nxpk= 15, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1219,1220,
 &end
#
#   38 LYS  HB-          38 LYS  HN          4.50    (#   1755:15  Unique         2.45, 3.05 A)
 &rst
  ixpk= 1755, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 575, 576,
 &end
#
#   35 ASN  HB-          36 ARG  HN          4.50    (#   1756:15  Unique         2.61, 3.42 A)
 &rst
  ixpk= 1756, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 521, 522,
 &end
#
#   92 VAL  HA           95 HIS  HN          4.50    (#   1757:15  Unique         3.25, 3.41 A)
 &rst
  ixpk= 1757, nxpk= 15, iat=1369,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95 HIS  HB-          95 HIS  HN          4.50    (#   1758:15  Unique         2.41, 2.55 A)
 &rst
  ixpk= 1758, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1424,1425,
 &end
#
#  105 GLN  HA          107 ALA  HN          5.50    (#   1759:15  Unique         4.25, 4.43 A)
 &rst
  ixpk= 1759, nxpk= 15, iat=1599,1626, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LEU  HB+          17 LEU  HN          4.50    (#   1760:15  Unique         2.32, 2.97 A)
 &rst
  ixpk= 1760, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   24 VAL  MGX          17 LEU  HN          5.50    (#   1761:15  Unique         5.65, 7.12 A)
 &rst
  ixpk= 1761, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   63 GLN  QG           63 GLN  HN          4.50    (#   1762:15  Unique         3.78, 4.44 A)
 &rst
  ixpk= 1762, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 962, 963,
 &end
#
#  109 ALA  HA          109 ALA  HN          4.50    (#   1763:15  Unique         2.84, 2.90 A)
 &rst
  ixpk= 1763, nxpk= 15, iat=1648,1646, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1764     0 AMB  15-1:1764   3.50    (#   1764:15  Double Ambig)
 &rst
  ixpk= 1764, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 190, 533,
 igr2= 188, 555,
 &end
#
#   36 ARG  HB-          37 VAL  HN          4.50    (#   1765:15  Unique         2.56, 3.25 A)
 &rst
  ixpk= 1765, nxpk= 15, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 535, 536,
 &end
#
#   46 ALA  MB          104 LEU  HN          7.00    (#   1766:15  Unique         6.40, 7.35 A)
 &rst
  ixpk= 1766, nxpk= 15, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 706, 707, 708,
 &end
#
#   56 LEU  MDY          58 ASP  HN          4.50    (#   1767:15  Unique         1.87, 4.30 A)
 &rst
  ixpk= 1767, nxpk= 15, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 868, 869, 870, 872, 873, 874,
 &end
#
#   70 THR  MG2          68 HIS  HN          7.00    (#   1769:15  Unique         6.19, 7.31 A)
 &rst
  ixpk= 1769, nxpk= 15, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1069,1070,1071,
 &end
#
#   82 GLY  HN           80 ILE  HN          5.50    (#   1770:15  Unique         3.79, 3.96 A)
 &rst
  ixpk= 1770, nxpk= 15, iat=1235,1209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 CYS  HA           88 CYS  HN          4.50    (#   1771:15  Unique         2.77, 2.79 A)
 &rst
  ixpk= 1771, nxpk= 15, iat=1316,1314, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 ARG  HA           39 GLN  HN          4.50    (#   1772:15  Unique         3.40, 3.49 A)
 &rst
  ixpk= 1772, nxpk= 15, iat= 533, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 VAL  MGY          39 GLN  HN          5.50    (#   1773:15  Unique         5.60, 6.59 A)
 &rst
  ixpk= 1773, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#  110 THR  HB           47 SER  HN          7.00    (#   1774:15  Unique         3.51, 5.56 A)
 &rst
  ixpk= 1774, nxpk= 15, iat=1660, 712, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   61 GLN  HG+          60 SER  HN          5.50    (#   1776:15  Unique         4.38, 5.37 A)
 &rst
  ixpk= 1776, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 926, 927,
 &end
#
#    0 AMB  15-2:1777    60 SER  HN          5.50    (#   1777:15  Single Ambig)
 &rst
  ixpk= 1777, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 926, 927, 893, 894,
 &end
#
#   93 GLU  HB+          94 LYS  HN          4.50    (#   1778:15  Unique         2.39, 3.19 A)
 &rst
  ixpk= 1778, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1387,1388,
 &end
#
#    0 AMB  15-2:1779    60 SER  HN          5.50    (#   1779:15  Single Ambig)
 &rst
  ixpk= 1779, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 868, 869, 870, 872, 873, 874, 943,
 &end
#
#   53 LEU  MDX          60 SER  HN          5.50    (#   1780:15  Unique         5.32, 7.31 A)
 &rst
  ixpk= 1780, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   56 LEU  HB+          60 SER  HN          5.50    (#   1781:15  Unique         5.17, 6.24 A)
 &rst
  ixpk= 1781, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 863, 864,
 &end
#
#    0 AMB  15-2:1782    60 SER  HN          5.50    (#   1782:15  Single Ambig)
 &rst
  ixpk= 1782, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 923, 924, 866,
 &end
#
#   92 VAL  MGY          94 LYS  HN          5.50    (#   1783:15  Unique         5.28, 6.66 A)
 &rst
  ixpk= 1783, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#   87 GLY  HA-          90 THR  HN          5.50    (#   1784:15  Unique         3.70, 4.35 A)
 &rst
  ixpk= 1784, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1309,1310,
 &end
#
#   91 VAL  HA           90 THR  HN          5.50    (#   1785:15  Unique         5.33, 5.36 A)
 &rst
  ixpk= 1785, nxpk= 15, iat=1353,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1786    90 THR  HN          5.50    (#   1786:15  Single Ambig)
 &rst
  ixpk= 1786, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1318,1319,1094,1095,
 &end
#
#   40 LEU  MDX          42 THR  HN          5.50    (#   1787:15  Unique         5.21, 7.47 A)
 &rst
  ixpk= 1787, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   54 ASP  HN           29 THR  HN          5.50    (#   1788:15  Unique         3.44, 3.67 A)
 &rst
  ixpk= 1788, nxpk= 15, iat= 832, 433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 TYR  HE           29 THR  HN          5.50    (#   1789:15  Unique         3.83, 5.84 A)
 &rst
  ixpk= 1789, nxpk= 15, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 457, 462,
 &end
#
#   30 TYR  HN           29 THR  HN          5.50    (#   1790:15  Unique         2.63, 2.89 A)
 &rst
  ixpk= 1790, nxpk= 15, iat= 447, 433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 TYR  HA           29 THR  HN          7.00    (#   1791:15  Unique         5.24, 5.42 A)
 &rst
  ixpk= 1791, nxpk= 15, iat= 449, 433, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   54 ASP  HB+          29 THR  HN          5.50    (#   1792:15  Unique         2.32, 2.96 A)
 &rst
  ixpk= 1792, nxpk= 15, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 836, 837,
 &end
#
#   55 GLU  HB+          29 THR  HN          7.00    (#   1793:15  Unique         5.24, 6.44 A)
 &rst
  ixpk= 1793, nxpk= 15, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 848, 849,
 &end
#
#   28 LYS  QG           29 THR  HN          5.50    (#   1794:15  Unique         3.38, 4.31 A)
 &rst
  ixpk= 1794, nxpk= 15, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 418, 419,
 &end
#
#   75 VAL  MGX          29 THR  HN          5.50    (#   1795:15  Unique         5.95, 7.63 A)
 &rst
  ixpk= 1795, nxpk= 15, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1135,1136,1137,1139,1140,1141,
 &end
#
#   69 TRP  HZ3          15 LYS  HN          5.50    (#   1796:15  Unique         3.84, 4.06 A)
 &rst
  ixpk= 1796, nxpk= 15, iat=1056, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 HIS  HB-          97 ARG  HN          5.50    (#   1797:15  Unique         5.02, 5.51 A)
 &rst
  ixpk= 1797, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1424,1425,
 &end
#
#   98 ASN  HB-          97 ARG  HN          5.50    (#   1798:15  Unique         5.55, 5.87 A)
 &rst
  ixpk= 1798, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1482,1483,
 &end
#
#   63 GLN  QG           64 SER  HN          4.50    (#   1799:15  Unique         3.34, 4.41 A)
 &rst
  ixpk= 1799, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 962, 963,
 &end
#
#    0 AMB  15-2:1801    97 ARG  HE          7.00    (#   1801:15  Single Ambig)
 &rst
  ixpk= 1801, nxpk= 15, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1499,1500,1441,1442,
 &end
#
#   94 LYS  HB-          98 ASN  HN          5.50    (#   1803:15  Unique         5.76, 6.24 A)
 &rst
  ixpk= 1803, nxpk= 15, iat=  -1,1478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1402,1403,
 &end
#
#   23 VAL  MGY          23 VAL  HN          4.50    (#   1804:15  Unique         3.09, 4.35 A)
 &rst
  ixpk= 1804, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   44 VAL  HB           44 VAL  HN          4.50    (#   1805:15  Unique         2.37, 3.42 A)
 &rst
  ixpk= 1805, nxpk= 15, iat= 683, 679, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1806     0 AMB  15-1:1806   5.50    (#   1806:15  Double Ambig)
 &rst
  ixpk= 1806, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1129,1022,
 igr2= 967, 968, 967, 968,
 &end
#
#    0 AMB  15-2:1807     0 AMB  15-1:1807   5.50    (#   1807:15  Double Ambig)
 &rst
  ixpk= 1807, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 974,1131,1119,
 igr2= 967, 968, 967, 968, 967, 968,
 &end
#
#    0 AMB  15-2:1808    63 GLN  HE2-        5.50    (#   1808:15  Single Ambig)
 &rst
  ixpk= 1808, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 974,1131,1119,
 igr2= 967, 968,
 &end
#
#   74 THR  MG2          63 GLN  HE2+        5.50    (#   1809:15  Unique         4.64, 6.63 A)
 &rst
  ixpk= 1809, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1121,1122,1123,
 igr2= 967, 968,
 &end
#
#   66 LEU  HB+          63 GLN  HE2+        5.50    (#   1810:15  Unique         2.57, 5.13 A)
 &rst
  ixpk= 1810, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 997, 998,
 igr2= 967, 968,
 &end
#
#   66 LEU  HB+          63 GLN  HE2-        5.50    (#   1811:15  Unique         2.57, 5.13 A)
 &rst
  ixpk= 1811, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 997, 998,
 igr2= 967, 968,
 &end
#
#   74 THR  MG2          63 GLN  HE2-        5.50    (#   1812:15  Unique         4.64, 6.63 A)
 &rst
  ixpk= 1812, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1121,1122,1123,
 igr2= 967, 968,
 &end
#
#  108 ALA  HA          110 THR  HN          5.50    (#   1813:15  Unique         2.94, 3.41 A)
 &rst
  ixpk= 1813, nxpk= 15, iat=1638,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1814   110 THR  HN          5.50    (#   1814:15  Single Ambig)
 &rst
  ixpk= 1814, nxpk= 15, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1604,1605, 325, 326,
 &end
#
#    0 AMB  15-2:1815   110 THR  HN          5.50    (#   1815:15  Single Ambig)
 &rst
  ixpk= 1815, nxpk= 15, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1587,1588,1589,1591,1592,1593,1585,
 &end
#
#   84 GLN  HB-          84 GLN  HE2-        5.50    (#   1816:15  Unique         3.69, 4.72 A)
 &rst
  ixpk= 1816, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1268,1269,
 igr2=1276,1277,
 &end
#
#   72 ARG  HB+          74 THR  HN          4.50    (#   1817:15  Unique         2.64, 4.64 A)
 &rst
  ixpk= 1817, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1088,1089,
 &end
#
#   56 LEU  MDY          59 GLY  HN          4.50    (#   1818:15  Unique         3.14, 5.30 A)
 &rst
  ixpk= 1818, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 868, 869, 870, 872, 873, 874,
 &end
#
#   72 ARG  HD-          87 GLY  HN          5.50    (#   1819:15  Unique         4.08, 5.07 A)
 &rst
  ixpk= 1819, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094,1095,
 &end
#
#    0 AMB  15-2:1820    19 SER  HN          5.50    (#   1820:15  Single Ambig)
 &rst
  ixpk= 1820, nxpk= 15, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 249, 250, 246, 247,
 &end
#
#   79 PHE  HA           82 GLY  HN          5.50    (#   1822:15  Unique         5.29, 5.48 A)
 &rst
  ixpk= 1822, nxpk= 15, iat=1191,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   82 GLY  HA+          82 GLY  HN          3.50    (#   1823:15  Unique         2.28, 2.57 A)
 &rst
  ixpk= 1823, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1237,1238,
 &end
#
#    0 AMB  15-2:1824    82 GLY  HN          5.50    (#   1824:15  Single Ambig)
 &rst
  ixpk= 1824, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 280, 281, 282, 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  15-2:1827     0 AMB  15-1:1827   5.50    (#   1827:15  Double Ambig)
 &rst
  ixpk= 1827, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 995,1065,
 igr2=1168,1169,1168,1169,
 &end
#
#    0 AMB  15-2:1828     0 AMB  15-1:1828   5.50    (#   1828:15  Double Ambig)
 &rst
  ixpk= 1828, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1131,1119,
 igr2=1168,1169,1168,1169,
 &end
#
#    0 AMB  15-2:1829    77 ASN  HD2-        5.50    (#   1829:15  Single Ambig)
 &rst
  ixpk= 1829, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 995,1065,
 igr2=1168,1169,
 &end
#
#    0 AMB  15-2:1830    77 ASN  HD2-        5.50    (#   1830:15  Single Ambig)
 &rst
  ixpk= 1830, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1131,1119,
 igr2=1168,1169,
 &end
#
#   66 LEU  MDY          77 ASN  HD2-        5.50    (#   1831:15  Unique         2.18, 5.24 A)
 &rst
  ixpk= 1831, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2=1168,1169,
 &end
#
#  100 LEU  HB-         101 LEU  HN          5.50    (#   1834:15  Unique         2.56, 3.28 A)
 &rst
  ixpk= 1834, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1511,1512,
 &end
#
#   80 ILE  HG1+         81 GLY  HN          5.50    (#   1835:15  Unique         4.32, 4.75 A)
 &rst
  ixpk= 1835, nxpk= 15, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1219,1220,
 &end
#
#    0 AMB  15-2:1836    93 GLU  HN          5.50    (#   1836:15  Single Ambig)
 &rst
  ixpk= 1836, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,1516,1517,1518,1520,1521,1522,
 &end
#
#    0 AMB  15-2:1837    78 VAL  HN          5.50    (#   1837:15  Single Ambig)
 &rst
  ixpk= 1837, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 370, 371, 372, 374, 375, 376,1287,1288,1289,
 &end
#
#    0 AMB  15-2:1838    72 ARG  HN          5.50    (#   1838:15  Single Ambig)
 &rst
  ixpk= 1838, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1065, 995,
 &end
#
#    0 AMB  15-2:1839     0 AMB  15-1:1839   5.50    (#   1839:15  Double Ambig)
 &rst
  ixpk= 1839, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 519, 117,
 igr2= 555, 188,
 &end
#
#    0 AMB  15-2:1840    90 THR  HN          5.50    (#   1840:15  Single Ambig)
 &rst
  ixpk= 1840, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1387,1388,1371,
 &end
#
#   75 VAL  MGY          63 GLN  HE2+        5.50    (#   1841:15  Unique         2.78, 5.57 A)
 &rst
  ixpk= 1841, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1135,1136,1137,1139,1140,1141,
 igr2= 967, 968,
 &end
#
#    0 AMB  15-2:1842    63 GLN  HE2-        5.50    (#   1842:15  Single Ambig)
 &rst
  ixpk= 1842, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 822, 823, 824, 826, 827, 828,1135,1136,1137,1139,
      1140,1141,
 igr2= 967, 968,
 &end
#
#   95 HIS  HA          101 LEU  HN          5.50    (#   1843:15  Unique         3.49, 3.74 A)
 &rst
  ixpk= 1843, nxpk= 15, iat=1422,1526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 LYS  HG-          38 LYS  HN          4.50    (#   1844:15  Unique         2.20, 2.92 A)
 &rst
  ixpk= 1844, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 578, 579,
 &end
#
#    3 SER  HB+           4 LYS  HN          5.50    (#   1845:15  Unique         2.62, 3.41 A)
 &rst
  ixpk= 1845, nxpk= 15, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  35,  36,
 &end
#
#    4 LYS  HB-           4 LYS  HN          4.50    (#   1846:15  Unique         2.34, 2.74 A)
 &rst
  ixpk= 1846, nxpk= 15, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  46,  47,
 &end
#
#    4 LYS  HA            5 GLN  HN          4.50    (#   1847:15  Unique         3.54, 3.59 A)
 &rst
  ixpk= 1847, nxpk= 15, iat=  44,  64, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 LYS  HB+           5 GLN  HN          4.50    (#   1848:15  Unique         2.68, 3.51 A)
 &rst
  ixpk= 1848, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  46,  47,
 &end
#
#    4 LYS  HG-           5 GLN  HN          5.50    (#   1849:15  Unique         2.69, 4.20 A)
 &rst
  ixpk= 1849, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  49,  50,
 &end
#
#    0 AMB  15-2:1850     6 GLU  HN          3.50    (#   1850:15  Single Ambig)
 &rst
  ixpk= 1850, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  68,  69,  68,  69,
 &end
#
#    0 AMB  15-2:1851     7 LEU  HN          3.50    (#   1851:15  Single Ambig)
 &rst
  ixpk= 1851, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  44,  83,
 &end
#
#    7 LEU  MDY           7 LEU  HN          4.50    (#   1852:15  Unique         4.53, 5.14 A)
 &rst
  ixpk= 1852, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#    7 LEU  HG            7 LEU  HN          4.50    (#   1853:15  Unique         4.47, 4.50 A)
 &rst
  ixpk= 1853, nxpk= 15, iat= 103,  96, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 LEU  MDY           8 ASP  HN          5.50    (#   1854:15  Unique         3.28, 5.31 A)
 &rst
  ixpk= 1854, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#    8 ASP  HB+          11 LEU  HN          5.50    (#   1855:15  Unique         5.38, 5.50 A)
 &rst
  ixpk= 1855, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 119, 120,
 &end
#
#   10 ALA  HA           12 LYS  HN          5.50    (#   1856:15  Unique         4.42, 4.51 A)
 &rst
  ixpk= 1856, nxpk= 15, iat= 139, 166, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1857     0 AMB  15-1:1857   4.50    (#   1857:15  Double Ambig)
 &rst
  ixpk= 1857, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 538, 539, 198, 199, 151, 152,
 igr2= 555, 188,
 &end
#
#   13 LYS  HB+          13 LYS  HN          3.50    (#   1858:15  Unique         2.37, 2.52 A)
 &rst
  ixpk= 1858, nxpk= 15, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 192, 193,
 &end
#
#   16 GLU  HB+          18 ALA  HN          5.50    (#   1859:15  Unique         4.96, 5.43 A)
 &rst
  ixpk= 1859, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 246, 247,
 &end
#
#   20 SER  HB+          19 SER  HN          5.50    (#   1860:15  Unique         4.14, 4.97 A)
 &rst
  ixpk= 1860, nxpk= 15, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 301, 302,
 &end
#
#   17 LEU  HB+          19 SER  HN          5.50    (#   1861:15  Unique         4.82, 5.00 A)
 &rst
  ixpk= 1861, nxpk= 15, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#    0 AMB  15-2:1862    20 SER  HN          4.50    (#   1862:15  Single Ambig)
 &rst
  ixpk= 1862, nxpk= 15, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 290, 291, 259,
 &end
#
#   20 SER  HB+          20 SER  HN          4.50    (#   1863:15  Unique         2.36, 2.99 A)
 &rst
  ixpk= 1863, nxpk= 15, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 301, 302,
 &end
#
#   22 PRO  HB-          23 VAL  HN          4.50    (#   1864:15  Unique         3.76, 4.18 A)
 &rst
  ixpk= 1864, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 325, 326,
 &end
#
#   25 VAL  MGX          27 SER  HN          5.50    (#   1865:15  Unique         4.26, 6.82 A)
 &rst
  ixpk= 1865, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   52 GLU  HA           27 SER  HN          5.50    (#   1866:15  Unique         2.80, 3.13 A)
 &rst
  ixpk= 1866, nxpk= 15, iat= 800, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1867    27 SER  HN          5.50    (#   1867:15  Single Ambig)
 &rst
  ixpk= 1867, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 380, 364,
 &end
#
#   29 THR  HN           28 LYS  HN          5.50    (#   1868:15  Unique         4.28, 4.37 A)
 &rst
  ixpk= 1868, nxpk= 15, iat= 433, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 LYS  QG           28 LYS  HN          5.50    (#   1869:15  Unique         3.07, 3.93 A)
 &rst
  ixpk= 1869, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 418, 419,
 &end
#
#   35 ASN  HB-          35 ASN  HN          4.50    (#   1870:15  Unique         2.13, 2.58 A)
 &rst
  ixpk= 1870, nxpk= 15, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 521, 522,
 &end
#
#   34 CYS  HB-          35 ASN  HN          5.50    (#   1871:15  Unique         2.43, 3.09 A)
 &rst
  ixpk= 1871, nxpk= 15, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 510, 511,
 &end
#
#    0 AMB  15-2:1872    36 ARG  HN          5.50    (#   1872:15  Single Ambig)
 &rst
  ixpk= 1872, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 541, 542, 489, 490,
 &end
#
#    0 AMB  15-2:1873    37 VAL  HN          5.50    (#   1873:15  Single Ambig)
 &rst
  ixpk= 1873, nxpk= 15, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1318,1319, 541, 542,
 &end
#
#   39 GLN  HA           40 LEU  HN          5.50    (#   1874:15  Unique         3.59, 3.61 A)
 &rst
  ixpk= 1874, nxpk= 15, iat= 595, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 LEU  MDY          41 LEU  HN          4.50    (#   1875:15  Unique         3.19, 5.37 A)
 &rst
  ixpk= 1875, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   42 THR  HA           42 THR  HN          3.50    (#   1876:15  Unique         2.82, 2.84 A)
 &rst
  ixpk= 1876, nxpk= 15, iat= 650, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:1877    42 THR  HN          5.50    (#   1877:15  Single Ambig)
 &rst
  ixpk= 1877, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 612, 664,
 &end
#
#   45 GLY  HA+          44 VAL  HN          5.50    (#   1878:15  Unique         4.48, 5.01 A)
 &rst
  ixpk= 1878, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 697, 698,
 &end
#
#   45 GLY  HA-          44 VAL  HN          5.50    (#   1879:15  Unique         4.48, 5.01 A)
 &rst
  ixpk= 1879, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 697, 698,
 &end
#
#   42 THR  HA           44 VAL  HN          5.50    (#   1880:15  Unique         3.96, 4.54 A)
 &rst
  ixpk= 1880, nxpk= 15, iat= 650, 679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 VAL  HN           49 LYS  HN          5.50    (#   1881:15  Unique         4.39, 4.45 A)
 &rst
  ixpk= 1881, nxpk= 15, iat= 766, 744, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HG-          55 GLU  HN          4.50    (#   1882:15  Unique         2.36, 3.76 A)
 &rst
  ixpk= 1882, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 851, 852,
 &end
#
#   56 LEU  MDY          55 GLU  HN          5.50    (#   1883:15  Unique         4.86, 7.00 A)
 &rst
  ixpk= 1883, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 868, 869, 870, 872, 873, 874,
 &end
#
#    0 AMB  15-2:1884    56 LEU  HN          4.50    (#   1884:15  Single Ambig)
 &rst
  ixpk= 1884, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 848, 849, 802, 803,
 &end
#
#   56 LEU  MDY          56 LEU  HN          4.50    (#   1885:15  Unique         3.44, 5.16 A)
 &rst
  ixpk= 1885, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 868, 869, 870, 872, 873, 874,
 &end
#
#   57 SER  HN           58 ASP  HN          5.50    (#   1886:15  Unique         2.82, 2.97 A)
 &rst
  ixpk= 1886, nxpk= 15, iat= 878, 889, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 LEU  HG           58 ASP  HN          5.50    (#   1887:15  Unique         1.81, 2.28 A)
 &rst
  ixpk= 1887, nxpk= 15, iat= 866, 889, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1888    62 LEU  HN          5.50    (#   1888:15  Single Ambig)
 &rst
  ixpk= 1888, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 910, 976, 977,
 &end
#
#   61 GLN  HG-          62 LEU  HN          4.50    (#   1889:15  Unique         2.33, 4.51 A)
 &rst
  ixpk= 1889, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 926, 927,
 &end
#
#   61 GLN  HB-          62 LEU  HN          4.50    (#   1890:15  Unique         2.57, 3.42 A)
 &rst
  ixpk= 1890, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 923, 924,
 &end
#
#   61 GLN  HA           63 GLN  HN          5.50    (#   1891:15  Unique         4.22, 4.40 A)
 &rst
  ixpk= 1891, nxpk= 15, iat= 921, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 LEU  HG           63 GLN  HN          5.50    (#   1892:15  Unique         4.74, 5.05 A)
 &rst
  ixpk= 1892, nxpk= 15, iat= 943, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 SER  HB-          64 SER  HN          3.50    (#   1893:15  Unique         2.54, 3.09 A)
 &rst
  ixpk= 1893, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 976, 977,
 &end
#
#   61 GLN  HA           64 SER  HN          4.50    (#   1894:15  Unique         2.87, 3.12 A)
 &rst
  ixpk= 1894, nxpk= 15, iat= 921, 972, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  MDY          64 SER  HN          5.50    (#   1895:15  Unique         5.79, 7.87 A)
 &rst
  ixpk= 1895, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   65 ALA  HA           68 HIS  HN          4.50    (#   1896:15  Unique         3.36, 3.49 A)
 &rst
  ixpk= 1896, nxpk= 15, iat= 985,1022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 HIS  HB-          68 HIS  HN          3.50    (#   1897:15  Unique         2.06, 2.45 A)
 &rst
  ixpk= 1897, nxpk= 15, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1026,1027,
 &end
#
#   66 LEU  HA            0 AMB  15-1:1898   4.50    (#   1898:15  Single Ambig)
 &rst
  ixpk= 1898, nxpk= 15, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 993,1039,
 &end
#
#   70 THR  MG2          69 TRP  HN          4.50    (#   1899:15  Unique         4.15, 5.33 A)
 &rst
  ixpk= 1899, nxpk= 15, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1069,1070,1071,
 &end
#
#   68 HIS  HN           70 THR  HN          5.50    (#   1900:15  Unique         4.41, 4.52 A)
 &rst
  ixpk= 1900, nxpk= 15, iat=1022,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 TRP  HD1          70 THR  HN          5.50    (#   1901:15  Unique         4.78, 4.94 A)
 &rst
  ixpk= 1901, nxpk= 15, iat=1047,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 THR  HB           70 THR  HN          5.50    (#   1902:15  Unique         3.61, 3.67 A)
 &rst
  ixpk= 1902, nxpk= 15, iat=1067,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 THR  HB           71 GLY  HN          5.50    (#   1903:15  Unique         4.01, 4.20 A)
 &rst
  ixpk= 1903, nxpk= 15, iat=1067,1077, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1904    72 ARG  HN          5.50    (#   1904:15  Single Ambig)
 &rst
  ixpk= 1904, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1115, 967, 968,
 &end
#
#   72 ARG  HD+          72 ARG  HN          5.50    (#   1905:15  Unique         4.90, 5.37 A)
 &rst
  ixpk= 1905, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094,1095,
 &end
#
#   72 ARG  HD-          72 ARG  HN          5.50    (#   1906:15  Unique         4.90, 5.37 A)
 &rst
  ixpk= 1906, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094,1095,
 &end
#
#    0 AMB  15-2:1907    73 GLY  HN          5.50    (#   1907:15  Single Ambig)
 &rst
  ixpk= 1907, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1084,1168,1169,
 &end
#
#   75 VAL  MGY          75 VAL  HN          3.50    (#   1908:15  Unique         1.99, 3.47 A)
 &rst
  ixpk= 1908, nxpk= 15, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  15-2:1909    81 GLY  HN          5.50    (#   1909:15  Single Ambig)
 &rst
  ixpk= 1909, nxpk= 15, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1587,1588,1589,1591,1592,1593,1222,1223,1224,
 &end
#
#   87 GLY  HN           86 GLY  HN          5.50    (#   1910:15  Unique         3.99, 4.16 A)
 &rst
  ixpk= 1910, nxpk= 15, iat=1307,1300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89 ASP  HN           88 CYS  HN          4.50    (#   1911:15  Unique         2.85, 2.93 A)
 &rst
  ixpk= 1911, nxpk= 15, iat=1325,1314, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 VAL  HN           90 THR  HN          4.50    (#   1912:15  Unique         2.81, 2.83 A)
 &rst
  ixpk= 1912, nxpk= 15, iat=1351,1337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88 CYS  HA           90 THR  HN          5.50    (#   1913:15  Unique         4.34, 4.41 A)
 &rst
  ixpk= 1913, nxpk= 15, iat=1316,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1914    92 VAL  HN          4.50    (#   1914:15  Single Ambig)
 &rst
  ixpk= 1914, nxpk= 15, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1355,1387,1388,
 &end
#
#   92 VAL  MGX          92 VAL  HN          4.50    (#   1915:15  Unique         2.21, 3.81 A)
 &rst
  ixpk= 1915, nxpk= 15, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#   93 GLU  HB-          93 GLU  HN          3.50    (#   1916:15  Unique         2.30, 2.48 A)
 &rst
  ixpk= 1916, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1387,1388,
 &end
#
#   92 VAL  MGY          93 GLU  HN          4.50    (#   1917:15  Unique         2.58, 4.57 A)
 &rst
  ixpk= 1917, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#   94 LYS  HA           95 HIS  HN          5.50    (#   1918:15  Unique         3.58, 3.60 A)
 &rst
  ixpk= 1918, nxpk= 15, iat=1400,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96 GLN  HA           95 HIS  HN          5.50    (#   1919:15  Unique         5.25, 5.31 A)
 &rst
  ixpk= 1919, nxpk= 15, iat=1439,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 LEU  MDX          95 HIS  HN          5.50    (#   1920:15  Unique         3.74, 5.31 A)
 &rst
  ixpk= 1920, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   92 VAL  MGX          95 HIS  HN          5.50    (#   1921:15  Unique         5.40, 6.12 A)
 &rst
  ixpk= 1921, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#   92 VAL  HA           96 GLN  HN          5.50    (#   1922:15  Unique         3.82, 4.03 A)
 &rst
  ixpk= 1922, nxpk= 15, iat=1369,1437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 HIS  HA           99 GLU  HN          5.50    (#   1923:15  Unique         3.33, 3.59 A)
 &rst
  ixpk= 1923, nxpk= 15, iat=1422,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1924   100 LEU  HN          5.50    (#   1924:15  Single Ambig)
 &rst
  ixpk= 1924, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1528,1561,
 &end
#
#    0 AMB  15-2:1925   100 LEU  HN          5.50    (#   1925:15  Single Ambig)
 &rst
  ixpk= 1925, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1496,1497,1458,1459,
 &end
#
#    0 AMB  15-2:1926   101 LEU  HN          5.50    (#   1926:15  Single Ambig)
 &rst
  ixpk= 1926, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 685, 686, 687, 689, 690, 691,1516,1517,1518,1520,
      1521,1522,1516,1517,1518,1520,1521,1522,
 &end
#
#  101 LEU  MDY         101 LEU  HN          5.50    (#   1927:15  Unique         2.62, 4.97 A)
 &rst
  ixpk= 1927, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  15-2:1928   101 LEU  HN          5.50    (#   1928:15  Single Ambig)
 &rst
  ixpk= 1928, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1549,1550,1563,1564,1582,1583,1496,1497,
 &end
#
#    0 AMB  15-2:1929   105 GLN  HN          5.50    (#   1929:15  Single Ambig)
 &rst
  ixpk= 1929, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1618,1619,1706,1707,
 &end
#
#    0 AMB  15-2:1930   105 GLN  HN          5.50    (#   1930:15  Single Ambig)
 &rst
  ixpk= 1930, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1650,1651,1652,1563,1564,1630,1631,1632,
 &end
#
#    0 AMB  15-2:1931   108 ALA  HN          4.50    (#   1931:15  Single Ambig)
 &rst
  ixpk= 1931, nxpk= 15, iat=  -1,1636, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1628,1742,1672,
 &end
#
#  105 GLN  HB-         108 ALA  HN          5.50    (#   1932:15  Unique         4.70, 5.13 A)
 &rst
  ixpk= 1932, nxpk= 15, iat=  -1,1636, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1601,1602,
 &end
#
#  108 ALA  HN          110 THR  HN          5.50    (#   1935:15  Unique         3.94, 4.32 A)
 &rst
  ixpk= 1935, nxpk= 15, iat=1636,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1936   110 THR  HN          3.50    (#   1936:15  Single Ambig)
 &rst
  ixpk= 1936, nxpk= 15, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1660,1672,
 &end
#
#    0 AMB  15-2:1937   113 ASN  HN          5.50    (#   1937:15  Single Ambig)
 &rst
  ixpk= 1937, nxpk= 15, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1711,1712,1656,
 &end
#
#  114 PRO  HD-         115 ALA  HN          5.50    (#   1938:15  Unique         2.56, 3.69 A)
 &rst
  ixpk= 1938, nxpk= 15, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1717,1718,
 &end
#
#    0 AMB  15-2:1939   115 ALA  HN          5.50    (#   1939:15  Single Ambig)
 &rst
  ixpk= 1939, nxpk= 15, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1720,1721,1601,1602,
 &end
#
#   72 ARG  HD+          72 ARG  HE          5.50    (#   1940:15  Unique         2.29, 2.69 A)
 &rst
  ixpk= 1940, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094,1095,
 &end
#
#    0 AMB  15-2:1941    72 ARG  HE          5.50    (#   1941:15  Single Ambig)
 &rst
  ixpk= 1941, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1088,1089,1091,1092,
 &end
#
#   27 SER  HN           28 LYS  HN          5.50    (#   1942:15  Unique         4.33, 4.36 A)
 &rst
  ixpk= 1942, nxpk= 15, iat= 400, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end





  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1           H1       MET   1  23.332  10.608  -1.784
    2   2H    MET   1           H2       MET   1  22.100  10.858  -2.826
    3   3H    MET   1           H3       MET   1  22.888  12.133  -2.163
    4    HA   MET   1           HA       MET   1  22.195  11.569   0.009
    5   1HB   MET   1          2HB       MET   1  19.836  12.172  -0.062
    6   2HB   MET   1          3HB       MET   1  20.902  13.222  -0.968
    7   1HG   MET   1          2HG       MET   1  20.100  11.858  -3.063
    8   2HG   MET   1          3HG       MET   1  18.759  11.382  -2.020
    9   1HE   MET   1          1HE       MET   1  17.906  13.519  -0.319
   10   2HE   MET   1          2HE       MET   1  16.583  13.348  -1.496
   11   3HE   MET   1          3HE       MET   1  17.238  14.951  -1.130
   12    H    ALA   2           H        ALA   2  20.112   9.498  -2.101
   13    HA   ALA   2           HA       ALA   2  20.369   7.050  -1.752
   14   1HB   ALA   2          1HB       ALA   2  19.488   7.748   1.077
   15   2HB   ALA   2          2HB       ALA   2  20.997   6.920   0.590
   16   3HB   ALA   2          3HB       ALA   2  19.440   6.127   0.365
   17    H    SER   3           H        SER   3  18.136   9.659  -1.240
   18    HA   SER   3           HA       SER   3  15.794   8.446  -0.884
   19   1HB   SER   3          2HB       SER   3  16.226  10.901  -2.601
   20   2HB   SER   3          3HB       SER   3  14.770  10.493  -1.667
   21    HG   SER   3           HG       SER   3  15.889  10.781   0.213
   22    H    LYS   4           H        LYS   4  17.389   8.296  -4.072
   23    HA   LYS   4           HA       LYS   4  14.933   7.545  -5.434
   24   1HB   LYS   4          2HB       LYS   4  16.802   8.256  -6.739
   25   2HB   LYS   4          3HB       LYS   4  17.850   6.979  -6.098
   26   1HG   LYS   4          2HG       LYS   4  16.819   5.300  -7.350
   27   2HG   LYS   4          3HG       LYS   4  15.294   6.176  -7.496
   28   1HD   LYS   4          2HD       LYS   4  16.517   5.989  -9.638
   29   2HD   LYS   4          3HD       LYS   4  16.156   7.651  -9.159
   30   1HE   LYS   4          2HE       LYS   4  18.484   7.948  -8.366
   31   2HE   LYS   4          3HE       LYS   4  18.861   6.277  -8.812
   32   1HZ   LYS   4          1HZ       LYS   4  19.543   7.881 -10.509
   33   2HZ   LYS   4          2HZ       LYS   4  18.435   6.855 -11.117
   34   3HZ   LYS   4          3HZ       LYS   4  18.009   8.382 -10.721
   35    H    GLN   5           H        GLN   5  17.497   5.630  -3.764
   36    HA   GLN   5           HA       GLN   5  16.153   3.121  -4.249
   37   1HB   GLN   5          2HB       GLN   5  18.638   3.446  -3.733
   38   2HB   GLN   5          3HB       GLN   5  18.168   3.735  -2.048
   39   1HG   GLN   5          2HG       GLN   5  16.977   1.464  -2.124
   40   2HG   GLN   5          3HG       GLN   5  17.714   1.205  -3.702
   41   1HE2  GLN   5          2HE2      GLN   5  18.035   0.278  -0.594
   42   2HE2  GLN   5          1HE2      GLN   5  19.766   0.096  -0.478
   43    H    GLU   6           H        GLU   6  16.155   5.530  -1.533
   44    HA   GLU   6           HA       GLU   6  14.557   3.778   0.132
   45   1HB   GLU   6          2HB       GLU   6  15.258   6.722   0.344
   46   2HB   GLU   6          3HB       GLU   6  14.148   5.914   1.459
   47   1HG   GLU   6          2HG       GLU   6  15.947   4.191   1.906
   48   2HG   GLU   6          3HG       GLU   6  17.065   5.196   0.981
   49    H    LEU   7           H        LEU   7  13.717   6.289  -2.273
   50    HA   LEU   7           HA       LEU   7  10.916   6.320  -1.667
   51   1HB   LEU   7          2HB       LEU   7  12.124   8.028  -3.049
   52   2HB   LEU   7          3HB       LEU   7  12.356   6.805  -4.307
   53    HG   LEU   7           HG       LEU   7   9.784   6.670  -4.433
   54   1HD1  LEU   7          1HD1      LEU   7   8.620   8.725  -3.566
   55   2HD1  LEU   7          2HD1      LEU   7   9.223   7.681  -2.261
   56   3HD1  LEU   7          3HD1      LEU   7  10.094   9.168  -2.689
   57   1HD2  LEU   7          1HD2      LEU   7  11.171   9.317  -5.043
   58   2HD2  LEU   7          2HD2      LEU   7  11.156   7.875  -6.080
   59   3HD2  LEU   7          3HD2      LEU   7   9.649   8.748  -5.768
   60    H    ASP   8           H        ASP   8  12.985   4.326  -3.887
   61    HA   ASP   8           HA       ASP   8  10.802   2.763  -4.884
   62   1HB   ASP   8          2HB       ASP   8  12.964   2.810  -6.008
   63   2HB   ASP   8          3HB       ASP   8  13.758   2.103  -4.600
   64    H    ALA   9           H        ALA   9  12.924   2.308  -2.007
   65    HA   ALA   9           HA       ALA   9  11.770  -0.189  -1.250
   66   1HB   ALA   9          1HB       ALA   9  13.050   1.951   0.517
   67   2HB   ALA   9          2HB       ALA   9  12.776   0.255   0.954
   68   3HB   ALA   9          3HB       ALA   9  13.922   0.657  -0.340
   69    H    ALA  10           H        ALA  10  10.936   3.203  -0.381
   70    HA   ALA  10           HA       ALA  10   8.748   2.560   1.325
   71   1HB   ALA  10          1HB       ALA  10   9.382   5.046  -0.318
   72   2HB   ALA  10          2HB       ALA  10   8.119   4.936   0.919
   73   3HB   ALA  10          3HB       ALA  10   9.818   4.741   1.377
   74    H    LEU  11           H        LEU  11   8.947   3.012  -2.245
   75    HA   LEU  11           HA       LEU  11   6.148   2.759  -2.757
   76   1HB   LEU  11          2HB       LEU  11   7.726   3.564  -4.453
   77   2HB   LEU  11          3HB       LEU  11   8.599   2.040  -4.413
   78    HG   LEU  11           HG       LEU  11   6.586   0.849  -5.309
   79   1HD1  LEU  11          1HD1      LEU  11   4.793   2.346  -4.584
   80   2HD1  LEU  11          2HD1      LEU  11   5.517   3.686  -5.500
   81   3HD1  LEU  11          3HD1      LEU  11   4.804   2.301  -6.351
   82   1HD2  LEU  11          1HD2      LEU  11   6.830   1.733  -7.602
   83   2HD2  LEU  11          2HD2      LEU  11   7.639   3.177  -6.956
   84   3HD2  LEU  11          3HD2      LEU  11   8.394   1.581  -6.783
   85    H    LYS  12           H        LYS  12   8.760   0.276  -2.585
   86    HA   LYS  12           HA       LYS  12   7.036  -1.923  -3.064
   87   1HB   LYS  12          2HB       LYS  12   9.483  -1.957  -3.229
   88   2HB   LYS  12          3HB       LYS  12   9.647  -1.721  -1.489
   89   1HG   LYS  12          2HG       LYS  12   8.751  -3.914  -1.019
   90   2HG   LYS  12          3HG       LYS  12   8.284  -4.150  -2.720
   91   1HD   LYS  12          2HD       LYS  12  10.623  -4.082  -3.428
   92   2HD   LYS  12          3HD       LYS  12  11.157  -3.707  -1.777
   93   1HE   LYS  12          2HE       LYS  12  10.384  -5.884  -0.979
   94   2HE   LYS  12          3HE       LYS  12   9.696  -6.264  -2.565
   95   1HZ   LYS  12          1HZ       LYS  12  12.584  -5.842  -2.042
   96   2HZ   LYS  12          2HZ       LYS  12  11.868  -7.292  -2.241
   97   3HZ   LYS  12          3HZ       LYS  12  11.928  -6.244  -3.484
   98    H    LYS  13           H        LYS  13   7.995  -0.368   0.033
   99    HA   LYS  13           HA       LYS  13   6.438  -1.988   1.750
  100   1HB   LYS  13          2HB       LYS  13   8.187  -0.209   2.368
  101   2HB   LYS  13          3HB       LYS  13   6.964   1.002   2.029
  102   1HG   LYS  13          2HG       LYS  13   6.815   0.784   4.324
  103   2HG   LYS  13          3HG       LYS  13   5.499  -0.266   3.793
  104   1HD   LYS  13          2HD       LYS  13   7.010  -2.248   4.081
  105   2HD   LYS  13          3HD       LYS  13   8.316  -1.149   4.580
  106   1HE   LYS  13          2HE       LYS  13   6.795  -0.323   6.440
  107   2HE   LYS  13          3HE       LYS  13   5.658  -1.606   6.007
  108   1HZ   LYS  13          1HZ       LYS  13   8.447  -2.011   6.935
  109   2HZ   LYS  13          2HZ       LYS  13   7.103  -2.291   7.809
  110   3HZ   LYS  13          3HZ       LYS  13   7.429  -3.217   6.508
  111    H    ALA  14           H        ALA  14   5.510   1.076   0.026
  112    HA   ALA  14           HA       ALA  14   2.872   1.158   0.982
  113   1HB   ALA  14          1HB       ALA  14   3.905   2.170  -1.700
  114   2HB   ALA  14          2HB       ALA  14   2.420   2.668  -0.864
  115   3HB   ALA  14          3HB       ALA  14   4.000   3.048  -0.156
  116    H    LYS  15           H        LYS  15   4.146  -0.465  -1.996
  117    HA   LYS  15           HA       LYS  15   1.618  -1.373  -2.941
  118   1HB   LYS  15          2HB       LYS  15   4.450  -2.447  -3.263
  119   2HB   LYS  15          3HB       LYS  15   3.049  -3.216  -4.018
  120   1HG   LYS  15          2HG       LYS  15   2.502  -1.209  -5.254
  121   2HG   LYS  15          3HG       LYS  15   3.811  -0.299  -4.479
  122   1HD   LYS  15          2HD       LYS  15   5.481  -1.797  -5.507
  123   2HD   LYS  15          3HD       LYS  15   4.181  -2.783  -6.214
  124   1HE   LYS  15          2HE       LYS  15   3.377  -0.778  -7.475
  125   2HE   LYS  15          3HE       LYS  15   4.725   0.158  -6.822
  126   1HZ   LYS  15          1HZ       LYS  15   4.978  -2.230  -8.566
  127   2HZ   LYS  15          2HZ       LYS  15   6.241  -1.387  -7.962
  128   3HZ   LYS  15          3HZ       LYS  15   5.224  -0.692  -9.031
  129    H    GLU  16           H        GLU  16   3.965  -2.934  -0.693
  130    HA   GLU  16           HA       GLU  16   2.413  -5.296  -0.366
  131   1HB   GLU  16          2HB       GLU  16   4.802  -5.086   0.173
  132   2HB   GLU  16          3HB       GLU  16   4.432  -3.999   1.519
  133   1HG   GLU  16          2HG       GLU  16   3.275  -5.761   2.715
  134   2HG   GLU  16          3HG       GLU  16   3.295  -6.815   1.297
  135    H    LEU  17           H        LEU  17   2.517  -2.245   1.555
  136    HA   LEU  17           HA       LEU  17   0.556  -2.934   3.479
  137   1HB   LEU  17          2HB       LEU  17   1.364  -0.276   2.240
  138   2HB   LEU  17          3HB       LEU  17   0.152  -0.378   3.506
  139    HG   LEU  17           HG       LEU  17   2.980  -1.444   3.860
  140   1HD1  LEU  17          1HD1      LEU  17   3.078   0.967   3.406
  141   2HD1  LEU  17          2HD1      LEU  17   1.859   1.264   4.665
  142   3HD1  LEU  17          3HD1      LEU  17   3.458   0.630   5.100
  143   1HD2  LEU  17          1HD2      LEU  17   0.798  -0.745   5.873
  144   2HD2  LEU  17          2HD2      LEU  17   1.353  -2.385   5.455
  145   3HD2  LEU  17          3HD2      LEU  17   2.447  -1.269   6.271
  146    H    ALA  18           H        ALA  18   0.170  -1.347   0.286
  147    HA   ALA  18           HA       ALA  18  -2.624  -1.033   0.314
  148   1HB   ALA  18          1HB       ALA  18  -1.107   0.113  -1.263
  149   2HB   ALA  18          2HB       ALA  18  -0.743  -1.442  -2.044
  150   3HB   ALA  18          3HB       ALA  18  -2.382  -0.773  -2.118
  151    H    SER  19           H        SER  19  -0.780  -3.958  -0.002
  152    HA   SER  19           HA       SER  19  -3.074  -5.422  -1.213
  153   1HB   SER  19          2HB       SER  19  -0.158  -6.253  -0.975
  154   2HB   SER  19          3HB       SER  19  -1.432  -7.041  -1.922
  155    HG   SER  19           HG       SER  19  -0.155  -4.547  -2.330
  156    H    SER  20           H        SER  20  -1.813  -4.735   1.832
  157    HA   SER  20           HA       SER  20  -1.788  -7.398   2.965
  158   1HB   SER  20          2HB       SER  20  -1.800  -4.620   4.206
  159   2HB   SER  20          3HB       SER  20  -1.555  -6.126   5.104
  160    HG   SER  20           HG       SER  20   0.066  -5.340   2.888
  161    H    ALA  21           H        ALA  21  -4.402  -5.306   2.122
  162    HA   ALA  21           HA       ALA  21  -6.315  -7.055   3.461
  163   1HB   ALA  21          1HB       ALA  21  -5.958  -5.328   5.191
  164   2HB   ALA  21          2HB       ALA  21  -6.200  -4.043   3.984
  165   3HB   ALA  21          3HB       ALA  21  -7.548  -5.081   4.453
  166    HA   PRO  22           HA       PRO  22  -8.366  -6.139  -0.350
  167   1HB   PRO  22          2HB       PRO  22 -11.054  -6.207   0.213
  168   2HB   PRO  22          3HB       PRO  22 -10.002  -7.653   0.215
  169   1HG   PRO  22          2HG       PRO  22 -10.800  -5.947   2.602
  170   2HG   PRO  22          3HG       PRO  22 -10.910  -7.732   2.435
  171   1HD   PRO  22          2HD       PRO  22  -8.818  -6.598   3.681
  172   2HD   PRO  22          3HD       PRO  22  -8.546  -7.968   2.570
  173    H    VAL  23           H        VAL  23  -8.721  -3.864   2.276
  174    HA   VAL  23           HA       VAL  23  -9.093  -1.710   0.325
  175    HB   VAL  23           HB       VAL  23 -10.705  -1.922   2.896
  176   1HG1  VAL  23          1HG1      VAL  23 -10.129   0.402   2.474
  177   2HG1  VAL  23          2HG1      VAL  23 -10.636   0.271   0.786
  178   3HG1  VAL  23          3HG1      VAL  23 -11.834   0.161   2.091
  179   1HG2  VAL  23          1HG2      VAL  23 -11.703  -3.384   1.278
  180   2HG2  VAL  23          2HG2      VAL  23 -12.722  -1.968   1.509
  181   3HG2  VAL  23          3HG2      VAL  23 -11.711  -2.110   0.046
  182    H    VAL  24           H        VAL  24  -7.734   0.022   0.928
  183    HA   VAL  24           HA       VAL  24  -6.481  -0.060   3.605
  184    HB   VAL  24           HB       VAL  24  -4.849   0.084   1.039
  185   1HG1  VAL  24          1HG1      VAL  24  -4.018  -0.136   3.970
  186   2HG1  VAL  24          2HG1      VAL  24  -2.918  -0.185   2.580
  187   3HG1  VAL  24          3HG1      VAL  24  -3.815   1.290   2.924
  188   1HG2  VAL  24          1HG2      VAL  24  -3.964  -2.159   1.717
  189   2HG2  VAL  24          2HG2      VAL  24  -5.213  -2.253   2.954
  190   3HG2  VAL  24          3HG2      VAL  24  -5.644  -2.210   1.229
  191    H    VAL  25           H        VAL  25  -6.168   1.948   4.407
  192    HA   VAL  25           HA       VAL  25  -6.776   4.299   2.679
  193    HB   VAL  25           HB       VAL  25  -7.508   3.821   5.601
  194   1HG1  VAL  25          1HG1      VAL  25  -8.933   5.830   5.300
  195   2HG1  VAL  25          2HG1      VAL  25  -7.227   6.200   5.040
  196   3HG1  VAL  25          3HG1      VAL  25  -8.302   6.027   3.646
  197   1HG2  VAL  25          1HG2      VAL  25  -8.856   2.317   4.220
  198   2HG2  VAL  25          2HG2      VAL  25  -9.843   3.644   4.822
  199   3HG2  VAL  25          3HG2      VAL  25  -9.286   3.660   3.133
  200    H    PHE  26           H        PHE  26  -4.688   4.979   2.265
  201    HA   PHE  26           HA       PHE  26  -2.705   5.309   4.416
  202   1HB   PHE  26          2HB       PHE  26  -2.845   6.389   1.572
  203   2HB   PHE  26          3HB       PHE  26  -1.492   6.609   2.674
  204    HD1  PHE  26           HD1      PHE  26  -0.112   4.619   3.409
  205    HD2  PHE  26           HD2      PHE  26  -3.168   4.290   0.383
  206    HE1  PHE  26           HE1      PHE  26   0.809   2.414   2.714
  207    HE2  PHE  26           HE2      PHE  26  -2.235   2.097  -0.312
  208    HZ   PHE  26           HZ       PHE  26  -0.255   1.160   0.854
  209    H    SER  27           H        SER  27  -2.789   7.028   5.819
  210    HA   SER  27           HA       SER  27  -4.479   9.387   5.252
  211   1HB   SER  27          2HB       SER  27  -5.724   8.726   7.453
  212   2HB   SER  27          3HB       SER  27  -6.163   7.910   5.956
  213    HG   SER  27           HG       SER  27  -5.021   6.118   6.593
  214    H    LYS  28           H        LYS  28  -4.674  10.438   7.755
  215    HA   LYS  28           HA       LYS  28  -2.107  10.164   9.151
  216   1HB   LYS  28          2HB       LYS  28  -3.189  12.809   8.109
  217   2HB   LYS  28          3HB       LYS  28  -2.084  12.713   9.489
  218   1HG   LYS  28          2HG       LYS  28  -0.452  11.462   8.085
  219   2HG   LYS  28          3HG       LYS  28  -1.519  11.678   6.686
  220   1HD   LYS  28          2HD       LYS  28  -1.286  14.152   6.919
  221   2HD   LYS  28          3HD       LYS  28  -0.167  13.897   8.282
  222   1HE   LYS  28          2HE       LYS  28   1.301  12.525   6.782
  223   2HE   LYS  28          3HE       LYS  28   0.199  12.833   5.437
  224   1HZ   LYS  28          1HZ       LYS  28   2.046  14.293   5.331
  225   2HZ   LYS  28          2HZ       LYS  28   0.732  15.213   5.674
  226   3HZ   LYS  28          3HZ       LYS  28   1.818  14.870   6.851
  227    H    THR  29           H        THR  29  -2.327  11.432  11.307
  228    HA   THR  29           HA       THR  29  -4.204   9.909  12.729
  229    HB   THR  29           HB       THR  29  -3.157  11.444  14.608
  230    HG1  THR  29           1HG      THR  29  -1.300  12.503  13.906
  231   1HG2  THR  29          1HG2      THR  29  -1.034  10.230  14.519
  232   2HG2  THR  29          2HG2      THR  29  -2.386   9.146  14.187
  233   3HG2  THR  29          3HG2      THR  29  -1.360   9.710  12.848
  234    H    TYR  30           H        TYR  30  -4.585  13.216  11.506
  235    HA   TYR  30           HA       TYR  30  -6.821  13.612  13.460
  236   1HB   TYR  30          2HB       TYR  30  -6.120  15.937  13.582
  237   2HB   TYR  30          3HB       TYR  30  -4.830  14.853  14.066
  238    HD1  TYR  30           HD1      TYR  30  -2.772  14.619  12.705
  239    HD2  TYR  30           HD2      TYR  30  -5.984  17.218  11.453
  240    HE1  TYR  30           HE1      TYR  30  -1.287  15.626  11.008
  241    HE2  TYR  30           HE2      TYR  30  -4.528  18.192   9.717
  242    HH   TYR  30           HH       TYR  30  -2.387  18.222   8.774
  243    H    CYS  31           HN       CYS  31  -5.971  13.918  10.009
  244    HA   CYS  31           HA       CYS  31  -7.602  15.985   9.336
  245   1HB   CYS  31          2HB       CYS  31  -7.082  13.531   7.639
  246   2HB   CYS  31          3HB       CYS  31  -7.415  15.180   7.071
  247    H    GLY  32           H        GLY  32  -9.690  16.382   9.147
  248   1HA   GLY  32          1HA       GLY  32 -11.774  14.683   9.949
  249   2HA   GLY  32          2HA       GLY  32 -11.951  16.148   8.964
  250    H    TYR  33           H        TYR  33 -10.391  15.237   6.679
  251    HA   TYR  33           HA       TYR  33 -12.330  13.721   5.244
  252   1HB   TYR  33          2HB       TYR  33  -9.415  14.328   4.632
  253   2HB   TYR  33          3HB       TYR  33 -10.540  13.581   3.511
  254    HD1  TYR  33           HD1      TYR  33  -9.290  16.720   4.752
  255    HD2  TYR  33           HD2      TYR  33 -12.724  14.854   2.913
  256    HE1  TYR  33           HE1      TYR  33 -10.090  18.937   4.000
  257    HE2  TYR  33           HE2      TYR  33 -13.515  17.064   2.132
  258    HH   TYR  33           HH       TYR  33 -13.111  19.359   2.093
  259    H    CYS  34           H        CYS  34  -9.360  12.715   6.995
  260    HA   CYS  34           HA       CYS  34  -9.397   9.988   5.966
  261   1HB   CYS  34          2HB       CYS  34  -8.064  11.216   8.428
  262   2HB   CYS  34          3HB       CYS  34  -7.865   9.545   7.889
  263    HG   CYS  34           HG       CYS  34  -7.279  12.291   6.099
  264    H    ASN  35           H        ASN  35 -10.598  11.633   8.949
  265    HA   ASN  35           HA       ASN  35 -11.922   9.362  10.057
  266   1HB   ASN  35          2HB       ASN  35 -11.776  11.314  11.411
  267   2HB   ASN  35          3HB       ASN  35 -12.558  12.321  10.198
  268   1HD2  ASN  35          2HD2      ASN  35 -14.743  12.691  10.473
  269   2HD2  ASN  35          1HD2      ASN  35 -15.794  11.713  11.459
  270    H    ARG  36           H        ARG  36 -13.173  11.748   7.621
  271    HA   ARG  36           HA       ARG  36 -15.711  10.612   7.320
  272   1HB   ARG  36          2HB       ARG  36 -14.019  12.461   5.823
  273   2HB   ARG  36          3HB       ARG  36 -14.886  11.417   4.702
  274   1HG   ARG  36          2HG       ARG  36 -17.037  12.031   5.780
  275   2HG   ARG  36          3HG       ARG  36 -16.149  13.055   6.935
  276   1HD   ARG  36          2HD       ARG  36 -15.167  14.211   4.824
  277   2HD   ARG  36          3HD       ARG  36 -16.488  13.434   3.935
  278    HE   ARG  36           HE       ARG  36 -17.921  14.573   5.839
  279   1HH1  ARG  36          1HH2      ARG  36 -15.221  16.010   4.036
  280   2HH1  ARG  36          2HH2      ARG  36 -15.676  17.639   4.370
  281   1HH2  ARG  36          1HH1      ARG  36 -18.517  16.746   6.301
  282   2HH2  ARG  36          2HH1      ARG  36 -17.604  18.061   5.668
  283    H    VAL  37           H        VAL  37 -12.718   9.664   5.493
  284    HA   VAL  37           HA       VAL  37 -14.068   7.643   4.001
  285    HB   VAL  37           HB       VAL  37 -11.144   7.973   4.790
  286   1HG1  VAL  37          1HG1      VAL  37 -12.351   5.974   2.817
  287   2HG1  VAL  37          2HG1      VAL  37 -10.621   6.348   2.999
  288   3HG1  VAL  37          3HG1      VAL  37 -11.485   5.579   4.319
  289   1HG2  VAL  37          1HG2      VAL  37 -11.007   8.606   2.343
  290   2HG2  VAL  37          2HG2      VAL  37 -12.773   8.489   2.264
  291   3HG2  VAL  37          3HG2      VAL  37 -12.019   9.708   3.299
  292    H    LYS  38           H        LYS  38 -12.278   7.378   7.132
  293    HA   LYS  38           HA       LYS  38 -12.720   4.613   7.544
  294   1HB   LYS  38          2HB       LYS  38 -12.681   6.896   9.563
  295   2HB   LYS  38          3HB       LYS  38 -12.678   5.191   9.997
  296   1HG   LYS  38          2HG       LYS  38 -10.518   4.829   8.992
  297   2HG   LYS  38          3HG       LYS  38 -10.493   6.449   8.268
  298   1HD   LYS  38          2HD       LYS  38 -10.458   7.511  10.451
  299   2HD   LYS  38          3HD       LYS  38 -10.735   5.962  11.270
  300   1HE   LYS  38          2HE       LYS  38  -8.552   5.136  10.484
  301   2HE   LYS  38          3HE       LYS  38  -8.240   6.675   9.666
  302   1HZ   LYS  38          1HZ       LYS  38  -8.243   7.768  11.804
  303   2HZ   LYS  38          2HZ       LYS  38  -8.702   6.405  12.586
  304   3HZ   LYS  38          3HZ       LYS  38  -7.223   6.489  11.919
  305    H    GLN  39           H        GLN  39 -14.872   7.359   8.483
  306    HA   GLN  39           HA       GLN  39 -16.900   5.741   9.649
  307   1HB   GLN  39          2HB       GLN  39 -17.085   8.464   8.302
  308   2HB   GLN  39          3HB       GLN  39 -18.349   7.770   9.301
  309   1HG   GLN  39          2HG       GLN  39 -15.548   8.220  10.399
  310   2HG   GLN  39          3HG       GLN  39 -16.710   9.531  10.305
  311   1HE2  GLN  39          2HE2      GLN  39 -15.630   9.004  12.666
  312   2HE2  GLN  39          1HE2      GLN  39 -16.790   8.240  13.744
  313    H    LEU  40           H        LEU  40 -16.472   6.922   6.270
  314    HA   LEU  40           HA       LEU  40 -18.949   6.059   5.233
  315   1HB   LEU  40          2HB       LEU  40 -17.162   7.576   4.184
  316   2HB   LEU  40          3HB       LEU  40 -16.267   6.118   3.786
  317    HG   LEU  40           HG       LEU  40 -18.347   5.382   2.426
  318   1HD1  LEU  40          1HD1      LEU  40 -19.087   8.297   2.959
  319   2HD1  LEU  40          2HD1      LEU  40 -19.801   7.286   1.693
  320   3HD1  LEU  40          3HD1      LEU  40 -20.041   6.860   3.392
  321   1HD2  LEU  40          1HD2      LEU  40 -16.300   6.236   1.405
  322   2HD2  LEU  40          2HD2      LEU  40 -17.732   6.801   0.540
  323   3HD2  LEU  40          3HD2      LEU  40 -16.861   7.908   1.631
  324    H    LEU  41           H        LEU  41 -15.768   4.394   5.307
  325    HA   LEU  41           HA       LEU  41 -16.667   1.960   4.097
  326   1HB   LEU  41          2HB       LEU  41 -14.286   2.651   5.859
  327   2HB   LEU  41          3HB       LEU  41 -14.508   1.067   5.124
  328    HG   LEU  41           HG       LEU  41 -14.340   3.647   3.507
  329   1HD1  LEU  41          1HD1      LEU  41 -12.033   2.963   2.995
  330   2HD1  LEU  41          2HD1      LEU  41 -12.256   3.233   4.732
  331   3HD1  LEU  41          3HD1      LEU  41 -12.189   1.577   4.102
  332   1HD2  LEU  41          1HD2      LEU  41 -14.207   0.709   2.688
  333   2HD2  LEU  41          2HD2      LEU  41 -15.497   1.862   2.286
  334   3HD2  LEU  41          3HD2      LEU  41 -13.882   2.089   1.616
  335    H    THR  42           H        THR  42 -16.363   2.972   7.516
  336    HA   THR  42           HA       THR  42 -17.020   0.468   8.678
  337    HB   THR  42           HB       THR  42 -17.532   3.302   9.686
  338    HG1  THR  42           1HG      THR  42 -15.423   3.076   9.310
  339   1HG2  THR  42          1HG2      THR  42 -17.366   2.306  11.947
  340   2HG2  THR  42          2HG2      THR  42 -18.777   1.709  11.059
  341   3HG2  THR  42          3HG2      THR  42 -17.333   0.679  11.224
  342    H    GLN  43           H        GLN  43 -19.130   3.189   7.565
  343    HA   GLN  43           HA       GLN  43 -21.508   2.075   8.677
  344   1HB   GLN  43          2HB       GLN  43 -20.970   4.127   6.506
  345   2HB   GLN  43          3HB       GLN  43 -22.617   3.633   6.905
  346   1HG   GLN  43          2HG       GLN  43 -22.443   4.388   9.170
  347   2HG   GLN  43          3HG       GLN  43 -20.701   4.626   9.050
  348   1HE2  GLN  43          2HE2      GLN  43 -19.920   6.278   7.519
  349   2HE2  GLN  43          1HE2      GLN  43 -20.890   7.723   7.234
  350    H    VAL  44           H        VAL  44 -19.999   1.649   5.428
  351    HA   VAL  44           HA       VAL  44 -22.240   0.018   4.537
  352    HB   VAL  44           HB       VAL  44 -20.936  -0.374   2.524
  353   1HG1  VAL  44          1HG1      VAL  44 -20.872   1.928   1.723
  354   2HG1  VAL  44          2HG1      VAL  44 -22.275   1.699   2.784
  355   3HG1  VAL  44          3HG1      VAL  44 -20.837   2.558   3.375
  356   1HG2  VAL  44          1HG2      VAL  44 -18.644  -0.490   3.434
  357   2HG2  VAL  44          2HG2      VAL  44 -18.771   0.708   2.135
  358   3HG2  VAL  44          3HG2      VAL  44 -18.715   1.243   3.817
  359    H    GLY  45           H        GLY  45 -19.733  -0.642   6.714
  360   1HA   GLY  45          1HA       GLY  45 -19.243  -2.586   7.796
  361   2HA   GLY  45          2HA       GLY  45 -20.385  -3.460   6.761
  362    H    ALA  46           H        ALA  46 -17.638  -1.497   5.540
  363    HA   ALA  46           HA       ALA  46 -16.545  -3.824   4.118
  364   1HB   ALA  46          1HB       ALA  46 -16.540  -1.602   3.026
  365   2HB   ALA  46          2HB       ALA  46 -15.579  -0.938   4.364
  366   3HB   ALA  46          3HB       ALA  46 -14.885  -2.177   3.302
  367    H    SER  47           H        SER  47 -14.638  -4.801   4.624
  368    HA   SER  47           HA       SER  47 -13.362  -4.318   7.261
  369   1HB   SER  47          2HB       SER  47 -12.682  -6.371   5.104
  370   2HB   SER  47          3HB       SER  47 -12.189  -6.382   6.806
  371    HG   SER  47           HG       SER  47 -14.775  -6.763   5.691
  372    H    TYR  48           H        TYR  48 -11.434  -3.071   7.326
  373    HA   TYR  48           HA       TYR  48  -9.929  -2.642   4.844
  374   1HB   TYR  48          2HB       TYR  48 -10.097  -0.226   4.934
  375   2HB   TYR  48          3HB       TYR  48 -11.681  -0.937   4.715
  376    HD1  TYR  48           HD1      TYR  48  -9.556   1.067   6.941
  377    HD2  TYR  48           HD2      TYR  48 -13.400  -0.825   6.483
  378    HE1  TYR  48           HE1      TYR  48 -10.455   2.418   8.822
  379    HE2  TYR  48           HE2      TYR  48 -14.307   0.527   8.345
  380    HH   TYR  48           HH       TYR  48 -13.842   2.147   9.954
  381    H    LYS  49           H        LYS  49  -7.946  -1.510   5.175
  382    HA   LYS  49           HA       LYS  49  -6.818  -1.637   7.942
  383   1HB   LYS  49          2HB       LYS  49  -5.828  -3.260   6.385
  384   2HB   LYS  49          3HB       LYS  49  -5.534  -1.987   5.194
  385   1HG   LYS  49          2HG       LYS  49  -3.876  -0.943   6.698
  386   2HG   LYS  49          3HG       LYS  49  -4.216  -2.179   7.931
  387   1HD   LYS  49          2HD       LYS  49  -3.412  -3.935   6.334
  388   2HD   LYS  49          3HD       LYS  49  -3.135  -2.682   5.118
  389   1HE   LYS  49          2HE       LYS  49  -1.011  -3.186   6.091
  390   2HE   LYS  49          3HE       LYS  49  -1.485  -1.579   6.641
  391   1HZ   LYS  49          1HZ       LYS  49  -0.585  -2.934   8.440
  392   2HZ   LYS  49          2HZ       LYS  49  -2.137  -2.576   8.767
  393   3HZ   LYS  49          3HZ       LYS  49  -1.729  -4.071   8.242
  394    H    VAL  50           H        VAL  50  -5.300   0.111   8.416
  395    HA   VAL  50           HA       VAL  50  -5.697   2.584   6.818
  396    HB   VAL  50           HB       VAL  50  -5.788   2.371   9.858
  397   1HG1  VAL  50          1HG1      VAL  50  -6.485   4.693   9.809
  398   2HG1  VAL  50          2HG1      VAL  50  -5.009   4.566   8.866
  399   3HG1  VAL  50          3HG1      VAL  50  -6.565   4.689   8.030
  400   1HG2  VAL  50          1HG2      VAL  50  -7.868   1.371   9.036
  401   2HG2  VAL  50          2HG2      VAL  50  -8.200   2.968   9.690
  402   3HG2  VAL  50          3HG2      VAL  50  -8.116   2.744   7.927
  403    H    VAL  51           H        VAL  51  -3.832   3.867   6.775
  404    HA   VAL  51           HA       VAL  51  -1.443   2.958   8.296
  405    HB   VAL  51           HB       VAL  51  -1.441   3.756   5.354
  406   1HG1  VAL  51          1HG1      VAL  51   0.931   3.210   5.418
  407   2HG1  VAL  51          2HG1      VAL  51   0.598   4.406   6.666
  408   3HG1  VAL  51          3HG1      VAL  51   0.815   2.702   7.120
  409   1HG2  VAL  51          1HG2      VAL  51  -2.355   1.500   5.513
  410   2HG2  VAL  51          2HG2      VAL  51  -0.705   1.431   4.903
  411   3HG2  VAL  51          3HG2      VAL  51  -1.036   1.008   6.600
  412    H    GLU  52           H        GLU  52  -1.869   4.592   9.786
  413    HA   GLU  52           HA       GLU  52  -2.339   7.346   8.942
  414   1HB   GLU  52          2HB       GLU  52  -1.833   6.086  11.667
  415   2HB   GLU  52          3HB       GLU  52  -2.100   7.824  11.389
  416   1HG   GLU  52          2HG       GLU  52  -4.296   7.364  10.382
  417   2HG   GLU  52          3HG       GLU  52  -4.034   5.626  10.567
  418    H    LEU  53           H        LEU  53  -0.659   7.885   7.673
  419    HA   LEU  53           HA       LEU  53   1.973   7.059   7.834
  420   1HB   LEU  53          2HB       LEU  53   0.774   9.604   6.666
  421   2HB   LEU  53          3HB       LEU  53   2.419   9.072   6.335
  422    HG   LEU  53           HG       LEU  53  -0.020   7.344   5.708
  423   1HD1  LEU  53          1HD1      LEU  53   0.246   8.078   3.365
  424   2HD1  LEU  53          2HD1      LEU  53  -0.202   9.414   4.438
  425   3HD1  LEU  53          3HD1      LEU  53   1.475   9.251   3.878
  426   1HD2  LEU  53          1HD2      LEU  53   2.192   6.155   5.862
  427   2HD2  LEU  53          2HD2      LEU  53   1.511   6.143   4.235
  428   3HD2  LEU  53          3HD2      LEU  53   2.819   7.276   4.633
  429    H    ASP  54           H        ASP  54   0.522   9.851   9.518
  430    HA   ASP  54           HA       ASP  54   2.973  11.119  10.213
  431   1HB   ASP  54          2HB       ASP  54   0.753  12.198  10.385
  432   2HB   ASP  54          3HB       ASP  54   0.310  11.098  11.693
  433    H    GLU  55           H        GLU  55   1.425   8.244  11.561
  434    HA   GLU  55           HA       GLU  55   3.197   8.262  13.953
  435   1HB   GLU  55          2HB       GLU  55   0.694   6.780  13.113
  436   2HB   GLU  55          3HB       GLU  55   1.764   6.035  14.291
  437   1HG   GLU  55          2HG       GLU  55   0.738   8.867  14.640
  438   2HG   GLU  55          3HG       GLU  55  -0.171   7.458  15.187
  439    H    LEU  56           H        LEU  56   3.032   6.963  10.731
  440    HA   LEU  56           HA       LEU  56   4.284   4.437  11.259
  441   1HB   LEU  56          2HB       LEU  56   2.936   4.921   9.231
  442   2HB   LEU  56          3HB       LEU  56   4.153   6.089   8.707
  443    HG   LEU  56           HG       LEU  56   5.836   4.266   8.522
  444   1HD1  LEU  56          1HD1      LEU  56   3.503   2.416   9.201
  445   2HD1  LEU  56          2HD1      LEU  56   4.984   2.625  10.159
  446   3HD1  LEU  56          3HD1      LEU  56   5.074   1.895   8.559
  447   1HD2  LEU  56          1HD2      LEU  56   3.262   3.739   6.997
  448   2HD2  LEU  56          2HD2      LEU  56   4.493   4.957   6.593
  449   3HD2  LEU  56          3HD2      LEU  56   4.898   3.233   6.521
  450    H    SER  57           H        SER  57   6.429   3.862  11.308
  451    HA   SER  57           HA       SER  57   8.339   5.615  12.159
  452   1HB   SER  57          2HB       SER  57   8.908   2.981  10.761
  453   2HB   SER  57          3HB       SER  57   9.791   3.717  12.111
  454    HG   SER  57           HG       SER  57   8.390   2.042  12.806
  455    H    ASP  58           H        ASP  58   7.500   5.088   8.802
  456    HA   ASP  58           HA       ASP  58   9.854   6.696   7.941
  457   1HB   ASP  58          2HB       ASP  58  10.119   4.228   7.487
  458   2HB   ASP  58          3HB       ASP  58   8.679   4.308   6.468
  459    H    GLY  59           H        GLY  59   7.041   7.320   8.652
  460   1HA   GLY  59          1HA       GLY  59   5.081   7.406   6.843
  461   2HA   GLY  59          2HA       GLY  59   5.419   8.723   7.977
  462    H    SER  60           H        SER  60   7.452  10.156   7.063
  463    HA   SER  60           HA       SER  60   6.345  11.621   4.983
  464   1HB   SER  60          2HB       SER  60   9.294  11.576   5.716
  465   2HB   SER  60          3HB       SER  60   8.352  12.936   5.075
  466    HG   SER  60           HG       SER  60   8.661  13.072   7.351
  467    H    GLN  61           H        GLN  61   8.866   9.062   4.737
  468    HA   GLN  61           HA       GLN  61   9.300   9.620   1.889
  469   1HB   GLN  61          2HB       GLN  61  10.187   7.247   3.565
  470   2HB   GLN  61          3HB       GLN  61  10.682   7.604   1.907
  471   1HG   GLN  61          2HG       GLN  61  11.550   9.857   2.797
  472   2HG   GLN  61          3HG       GLN  61  11.340   9.187   4.419
  473   1HE2  GLN  61          2HE2      GLN  61  12.423   6.872   4.694
  474   2HE2  GLN  61          1HE2      GLN  61  14.041   6.728   3.983
  475    H    LEU  62           H        LEU  62   7.374   7.361   3.886
  476    HA   LEU  62           HA       LEU  62   6.369   5.770   1.757
  477   1HB   LEU  62          2HB       LEU  62   6.258   5.583   4.402
  478   2HB   LEU  62          3HB       LEU  62   4.785   6.493   4.224
  479    HG   LEU  62           HG       LEU  62   4.232   4.195   4.384
  480   1HD1  LEU  62          1HD1      LEU  62   2.973   5.432   2.584
  481   2HD1  LEU  62          2HD1      LEU  62   4.065   4.688   1.402
  482   3HD1  LEU  62          3HD1      LEU  62   3.009   3.670   2.397
  483   1HD2  LEU  62          1HD2      LEU  62   6.173   3.586   2.128
  484   2HD2  LEU  62          2HD2      LEU  62   6.448   3.272   3.852
  485   3HD2  LEU  62          3HD2      LEU  62   5.149   2.424   2.992
  486    H    GLN  63           H        GLN  63   5.118   8.844   3.206
  487    HA   GLN  63           HA       GLN  63   2.924   9.104   1.429
  488   1HB   GLN  63          2HB       GLN  63   3.376  10.455   3.571
  489   2HB   GLN  63          3HB       GLN  63   4.502  11.429   2.615
  490   1HG   GLN  63          2HG       GLN  63   2.621  11.880   0.980
  491   2HG   GLN  63          3HG       GLN  63   1.526  10.994   2.034
  492   1HE2  GLN  63          2HE2      GLN  63   0.853  13.458   1.302
  493   2HE2  GLN  63          1HE2      GLN  63   1.059  14.633   2.592
  494    H    SER  64           H        SER  64   6.352  10.174   1.145
  495    HA   SER  64           HA       SER  64   6.052  11.542  -1.330
  496   1HB   SER  64          2HB       SER  64   8.496  10.046  -0.292
  497   2HB   SER  64          3HB       SER  64   8.469  11.289  -1.547
  498    HG   SER  64           HG       SER  64   7.785  11.605   1.212
  499    H    ALA  65           H        ALA  65   6.645   8.047  -0.633
  500    HA   ALA  65           HA       ALA  65   6.897   7.262  -3.370
  501   1HB   ALA  65          1HB       ALA  65   6.422   5.014  -2.568
  502   2HB   ALA  65          2HB       ALA  65   7.593   5.820  -1.515
  503   3HB   ALA  65          3HB       ALA  65   5.896   5.641  -0.993
  504    H    LEU  66           H        LEU  66   4.034   7.480  -1.191
  505    HA   LEU  66           HA       LEU  66   2.101   6.626  -3.079
  506   1HB   LEU  66          2HB       LEU  66   2.085   8.216  -0.555
  507   2HB   LEU  66          3HB       LEU  66   0.781   8.610  -1.645
  508    HG   LEU  66           HG       LEU  66   0.140   6.958   0.024
  509   1HD1  LEU  66          1HD1      LEU  66  -0.966   5.370  -1.417
  510   2HD1  LEU  66          2HD1      LEU  66  -0.999   6.972  -2.175
  511   3HD1  LEU  66          3HD1      LEU  66   0.121   5.730  -2.766
  512   1HD2  LEU  66          1HD2      LEU  66   2.367   5.817   0.193
  513   2HD2  LEU  66          2HD2      LEU  66   0.981   4.719   0.098
  514   3HD2  LEU  66          3HD2      LEU  66   2.011   4.980  -1.330
  515    H    ALA  67           H        ALA  67   3.361   9.967  -2.488
  516    HA   ALA  67           HA       ALA  67   1.859  11.209  -4.499
  517   1HB   ALA  67          1HB       ALA  67   3.324  12.347  -2.738
  518   2HB   ALA  67          2HB       ALA  67   4.728  11.939  -3.733
  519   3HB   ALA  67          3HB       ALA  67   3.479  13.014  -4.379
  520    H    HIS  68           H        HIS  68   5.128   9.796  -4.791
  521    HA   HIS  68           HA       HIS  68   5.519  10.289  -7.545
  522   1HB   HIS  68          2HB       HIS  68   7.430   9.686  -6.411
  523   2HB   HIS  68          3HB       HIS  68   6.620   8.481  -5.425
  524    HD1  HIS  68           HD1      HIS  68   8.416   8.702  -8.802
  525    HD2  HIS  68           HD2      HIS  68   6.357   6.024  -6.288
  526    HE1  HIS  68           HE1      HIS  68   8.884   6.370  -9.713
  527    H    TRP  69           H        TRP  69   3.960   7.514  -5.902
  528    HA   TRP  69           HA       TRP  69   3.764   5.913  -8.260
  529   1HB   TRP  69          2HB       TRP  69   3.968   5.124  -5.928
  530   2HB   TRP  69          3HB       TRP  69   2.393   5.773  -5.544
  531    HD1  TRP  69           HD1      TRP  69   2.579   3.821  -8.804
  532    HE1  TRP  69           HE1      TRP  69   1.437   1.587  -8.537
  533    HE3  TRP  69           HE3      TRP  69   1.998   3.845  -3.714
  534    HZ2  TRP  69           HZ2      TRP  69   0.361  -0.041  -6.369
  535    HZ3  TRP  69           HZ3      TRP  69   0.909   1.922  -2.576
  536    HH2  TRP  69           HH2      TRP  69   0.085  -0.009  -3.894
  537    H    THR  70           H        THR  70   1.400   7.958  -6.483
  538    HA   THR  70           HA       THR  70  -0.715   7.109  -8.385
  539    HB   THR  70           HB       THR  70  -2.253   7.793  -6.662
  540    HG1  THR  70           1HG      THR  70  -0.017   8.568  -5.086
  541   1HG2  THR  70          1HG2      THR  70  -1.251   5.545  -6.357
  542   2HG2  THR  70          2HG2      THR  70   0.032   6.242  -5.350
  543   3HG2  THR  70          3HG2      THR  70  -1.641   6.318  -4.801
  544    H    GLY  71           H        GLY  71   1.281   9.889  -7.765
  545   1HA   GLY  71          1HA       GLY  71   1.225  12.019  -8.575
  546   2HA   GLY  71          2HA       GLY  71  -0.145  11.596  -9.621
  547    H    ARG  72           H        ARG  72  -0.537  10.785  -6.253
  548    HA   ARG  72           HA       ARG  72  -2.144  13.195  -5.639
  549   1HB   ARG  72          2HB       ARG  72  -3.542  11.501  -6.862
  550   2HB   ARG  72          3HB       ARG  72  -3.201  10.329  -5.586
  551   1HG   ARG  72          2HG       ARG  72  -4.283  11.868  -3.928
  552   2HG   ARG  72          3HG       ARG  72  -4.599  13.026  -5.232
  553   1HD   ARG  72          2HD       ARG  72  -6.037  11.355  -6.367
  554   2HD   ARG  72          3HD       ARG  72  -5.645  10.168  -5.119
  555    HE   ARG  72           HE       ARG  72  -6.970  11.249  -3.567
  556   1HH1  ARG  72          1HH2      ARG  72  -6.938  13.145  -6.575
  557   2HH1  ARG  72          2HH2      ARG  72  -8.199  14.211  -6.083
  558   1HH2  ARG  72          1HH1      ARG  72  -8.609  12.733  -2.889
  559   2HH2  ARG  72          2HH1      ARG  72  -9.193  13.936  -3.968
  560    H    GLY  73           H        GLY  73   0.019  13.268  -4.433
  561   1HA   GLY  73          1HA       GLY  73   0.582  11.434  -2.304
  562   2HA   GLY  73          2HA       GLY  73   1.259  13.057  -2.536
  563    H    THR  74           H        THR  74  -1.982  13.673  -2.479
  564    HA   THR  74           HA       THR  74  -2.051  14.716   0.184
  565    HB   THR  74           HB       THR  74  -4.549  14.947  -0.589
  566    HG1  THR  74           1HG      THR  74  -4.879  14.648  -2.755
  567   1HG2  THR  74          1HG2      THR  74  -3.980  16.855  -2.037
  568   2HG2  THR  74          2HG2      THR  74  -2.892  16.797  -0.643
  569   3HG2  THR  74          3HG2      THR  74  -2.321  16.245  -2.233
  570    H    VAL  75           H        VAL  75  -4.011  14.113   1.619
  571    HA   VAL  75           HA       VAL  75  -4.418  11.191   1.699
  572    HB   VAL  75           HB       VAL  75  -4.303  11.403   4.230
  573   1HG1  VAL  75          1HG1      VAL  75  -2.612  10.213   2.898
  574   2HG1  VAL  75          2HG1      VAL  75  -1.708  11.726   2.671
  575   3HG1  VAL  75          3HG1      VAL  75  -1.893  11.029   4.294
  576   1HG2  VAL  75          1HG2      VAL  75  -2.620  13.880   3.660
  577   2HG2  VAL  75          2HG2      VAL  75  -4.249  13.900   4.378
  578   3HG2  VAL  75          3HG2      VAL  75  -2.921  13.106   5.226
  579    HA   PRO  76           HA       PRO  76  -5.673   9.841   3.099
  580   1HB   PRO  76          2HB       PRO  76  -7.987   8.441   2.686
  581   2HB   PRO  76          3HB       PRO  76  -7.595   9.245   4.233
  582   1HG   PRO  76          2HG       PRO  76  -9.336  10.262   1.979
  583   2HG   PRO  76          3HG       PRO  76  -9.668  10.284   3.739
  584   1HD   PRO  76          2HD       PRO  76  -8.687  12.458   2.347
  585   2HD   PRO  76          3HD       PRO  76  -8.272  12.151   4.058
  586    H    ASN  77           H        ASN  77  -5.329   8.100   1.612
  587    HA   ASN  77           HA       ASN  77  -6.185   8.483  -1.215
  588   1HB   ASN  77          2HB       ASN  77  -3.785   9.205  -0.874
  589   2HB   ASN  77          3HB       ASN  77  -3.406   7.564  -0.353
  590   1HD2  ASN  77          2HD2      ASN  77  -2.738   9.378  -2.892
  591   2HD2  ASN  77          1HD2      ASN  77  -2.905   8.214  -4.155
  592    H    VAL  78           H        VAL  78  -7.245   6.644  -1.844
  593    HA   VAL  78           HA       VAL  78  -7.265   4.409   0.130
  594    HB   VAL  78           HB       VAL  78  -9.588   5.445  -1.538
  595   1HG1  VAL  78          1HG1      VAL  78  -9.901   3.101  -0.924
  596   2HG1  VAL  78          2HG1      VAL  78  -9.425   3.431   0.755
  597   3HG1  VAL  78          3HG1      VAL  78 -10.938   4.084   0.109
  598   1HG2  VAL  78          1HG2      VAL  78 -10.488   6.341   0.608
  599   2HG2  VAL  78          2HG2      VAL  78  -8.948   5.943   1.402
  600   3HG2  VAL  78          3HG2      VAL  78  -9.016   7.172   0.123
  601    H    PHE  79           H        PHE  79  -7.294   2.373  -0.552
  602    HA   PHE  79           HA       PHE  79  -7.096   1.749  -3.454
  603   1HB   PHE  79          2HB       PHE  79  -5.443   0.743  -1.094
  604   2HB   PHE  79          3HB       PHE  79  -5.573  -0.141  -2.599
  605    HD1  PHE  79           HD1      PHE  79  -3.877   0.110  -4.156
  606    HD2  PHE  79           HD2      PHE  79  -4.682   3.361  -1.430
  607    HE1  PHE  79           HE1      PHE  79  -1.975   1.381  -5.091
  608    HE2  PHE  79           HE2      PHE  79  -2.812   4.633  -2.402
  609    HZ   PHE  79           HZ       PHE  79  -1.415   3.635  -4.206
  610    H    ILE  80           H        ILE  80  -8.141  -0.175  -4.015
  611    HA   ILE  80           HA       ILE  80  -9.377  -1.821  -1.917
  612    HB   ILE  80           HB       ILE  80 -10.960  -0.612  -4.231
  613   1HG1  ILE  80          2HG1      ILE  80 -11.322  -0.302  -1.227
  614   2HG1  ILE  80          3HG1      ILE  80 -10.706   0.939  -2.307
  615   1HG2  ILE  80          1HG2      ILE  80 -11.601  -2.908  -3.995
  616   2HG2  ILE  80          2HG2      ILE  80 -11.689  -2.781  -2.221
  617   3HG2  ILE  80          3HG2      ILE  80 -12.871  -1.965  -3.251
  618   1HD1  ILE  80          1HD1      ILE  80 -12.899   0.956  -3.508
  619   2HD1  ILE  80          2HD1      ILE  80 -13.542  -0.137  -2.261
  620   3HD1  ILE  80          3HD1      ILE  80 -12.961   1.468  -1.812
  621    H    GLY  81           H        GLY  81  -9.286  -3.968  -2.531
  622   1HA   GLY  81          1HA       GLY  81  -8.556  -5.818  -3.653
  623   2HA   GLY  81          2HA       GLY  81  -9.110  -5.022  -5.137
  624    H    GLY  82           H        GLY  82  -6.523  -3.704  -3.053
  625   1HA   GLY  82          1HA       GLY  82  -4.294  -3.378  -3.401
  626   2HA   GLY  82          2HA       GLY  82  -4.298  -4.743  -4.523
  627    H    LYS  83           H        LYS  83  -6.503  -2.064  -5.240
  628    HA   LYS  83           HA       LYS  83  -4.577  -0.936  -7.221
  629   1HB   LYS  83          2HB       LYS  83  -6.190  -2.487  -8.288
  630   2HB   LYS  83          3HB       LYS  83  -7.540  -1.571  -7.599
  631   1HG   LYS  83          2HG       LYS  83  -6.928   0.404  -8.911
  632   2HG   LYS  83          3HG       LYS  83  -5.462  -0.404  -9.506
  633   1HD   LYS  83          2HD       LYS  83  -6.851  -2.100 -10.648
  634   2HD   LYS  83          3HD       LYS  83  -8.327  -1.324 -10.029
  635   1HE   LYS  83          2HE       LYS  83  -7.765   0.755 -11.237
  636   2HE   LYS  83          3HE       LYS  83  -6.253   0.038 -11.810
  637   1HZ   LYS  83          1HZ       LYS  83  -7.985  -0.079 -13.487
  638   2HZ   LYS  83          2HZ       LYS  83  -7.559  -1.586 -13.045
  639   3HZ   LYS  83          3HZ       LYS  83  -8.963  -0.939 -12.509
  640    H    GLN  84           H        GLN  84  -4.613   1.304  -7.344
  641    HA   GLN  84           HA       GLN  84  -5.723   2.687  -5.078
  642   1HB   GLN  84          2HB       GLN  84  -3.552   3.185  -6.339
  643   2HB   GLN  84          3HB       GLN  84  -4.513   3.919  -7.601
  644   1HG   GLN  84          2HG       GLN  84  -4.940   4.754  -4.705
  645   2HG   GLN  84          3HG       GLN  84  -3.487   5.272  -5.517
  646   1HE2  GLN  84          2HE2      GLN  84  -5.157   7.145  -4.529
  647   2HE2  GLN  84          1HE2      GLN  84  -5.884   8.032  -5.868
  648    H    ILE  85           H        ILE  85  -7.540   3.991  -4.971
  649    HA   ILE  85           HA       ILE  85  -9.375   3.887  -7.331
  650    HB   ILE  85           HB       ILE  85 -10.017   4.210  -4.376
  651   1HG1  ILE  85          2HG1      ILE  85  -9.212   1.979  -4.609
  652   2HG1  ILE  85          3HG1      ILE  85 -10.956   1.923  -4.503
  653   1HG2  ILE  85          1HG2      ILE  85 -11.844   3.796  -6.779
  654   2HG2  ILE  85          2HG2      ILE  85 -12.357   3.739  -5.077
  655   3HG2  ILE  85          3HG2      ILE  85 -11.735   5.243  -5.760
  656   1HD1  ILE  85          1HD1      ILE  85 -10.216   0.307  -6.144
  657   2HD1  ILE  85          2HD1      ILE  85 -11.060   1.605  -7.009
  658   3HD1  ILE  85          3HD1      ILE  85  -9.288   1.521  -7.021
  659    H    GLY  86           H        GLY  86  -8.213   6.044  -4.646
  660   1HA   GLY  86          1HA       GLY  86  -8.013   8.444  -5.987
  661   2HA   GLY  86          2HA       GLY  86  -9.740   8.268  -5.657
  662    H    GLY  87           H        GLY  87 -10.048   9.697  -4.007
  663   1HA   GLY  87          1HA       GLY  87  -8.800   9.035  -1.395
  664   2HA   GLY  87          2HA       GLY  87  -8.741  10.709  -1.951
  665    H    CYS  88           H        CYS  88 -10.045  11.244  -0.113
  666    HA   CYS  88           HA       CYS  88 -12.404  10.104   0.745
  667   1HB   CYS  88          2HB       CYS  88 -12.890  12.498   1.593
  668   2HB   CYS  88          3HB       CYS  88 -11.403  11.721   2.141
  669    HG   CYS  88           HG       CYS  88 -11.012  14.318   1.659
  670    H    ASP  89           H        ASP  89 -12.228  12.902  -1.507
  671    HA   ASP  89           HA       ASP  89 -15.016  13.058  -1.911
  672   1HB   ASP  89          2HB       ASP  89 -13.488  14.862  -2.549
  673   2HB   ASP  89          3HB       ASP  89 -12.718  13.830  -3.757
  674    H    THR  90           H        THR  90 -12.576  11.067  -3.632
  675    HA   THR  90           HA       THR  90 -14.281  10.202  -5.717
  676    HB   THR  90           HB       THR  90 -12.102   8.479  -4.511
  677    HG1  THR  90           1HG      THR  90 -11.678  10.826  -6.048
  678   1HG2  THR  90          1HG2      THR  90 -12.946   9.099  -7.371
  679   2HG2  THR  90          2HG2      THR  90 -11.638   7.994  -6.890
  680   3HG2  THR  90          3HG2      THR  90 -13.311   7.622  -6.455
  681    H    VAL  91           H        VAL  91 -13.507   8.658  -2.491
  682    HA   VAL  91           HA       VAL  91 -15.304   6.486  -3.118
  683    HB   VAL  91           HB       VAL  91 -15.019   5.776  -0.783
  684   1HG1  VAL  91          1HG1      VAL  91 -12.675   5.156  -1.030
  685   2HG1  VAL  91          2HG1      VAL  91 -13.480   5.076  -2.599
  686   3HG1  VAL  91          3HG1      VAL  91 -12.410   6.445  -2.221
  687   1HG2  VAL  91          1HG2      VAL  91 -14.681   7.965   0.350
  688   2HG2  VAL  91          2HG2      VAL  91 -13.380   6.811   0.678
  689   3HG2  VAL  91          3HG2      VAL  91 -13.118   8.133  -0.469
  690    H    VAL  92           H        VAL  92 -15.794   9.617  -1.400
  691    HA   VAL  92           HA       VAL  92 -18.407   8.904  -0.443
  692    HB   VAL  92           HB       VAL  92 -17.044  11.560  -1.063
  693   1HG1  VAL  92          1HG1      VAL  92 -19.446  11.987  -1.274
  694   2HG1  VAL  92          2HG1      VAL  92 -19.761  11.134   0.255
  695   3HG1  VAL  92          3HG1      VAL  92 -18.852  12.663   0.243
  696   1HG2  VAL  92          1HG2      VAL  92 -16.185  10.212   0.894
  697   2HG2  VAL  92          2HG2      VAL  92 -16.891  11.757   1.372
  698   3HG2  VAL  92          3HG2      VAL  92 -17.811  10.254   1.594
  699    H    GLU  93           H        GLU  93 -17.257  10.410  -3.557
  700    HA   GLU  93           HA       GLU  93 -19.854  10.759  -4.655
  701   1HB   GLU  93          2HB       GLU  93 -17.753  11.809  -5.507
  702   2HB   GLU  93          3HB       GLU  93 -17.210  10.226  -6.085
  703   1HG   GLU  93          2HG       GLU  93 -19.337  10.144  -7.508
  704   2HG   GLU  93          3HG       GLU  93 -19.652  11.808  -7.012
  705    H    LYS  94           H        LYS  94 -17.508   8.021  -4.988
  706    HA   LYS  94           HA       LYS  94 -19.238   6.427  -6.635
  707   1HB   LYS  94          2HB       LYS  94 -16.910   5.691  -4.816
  708   2HB   LYS  94          3HB       LYS  94 -17.738   4.535  -5.873
  709   1HG   LYS  94          2HG       LYS  94 -17.132   5.828  -7.866
  710   2HG   LYS  94          3HG       LYS  94 -16.422   7.094  -6.877
  711   1HD   LYS  94          2HD       LYS  94 -14.565   5.863  -7.622
  712   2HD   LYS  94          3HD       LYS  94 -14.801   5.368  -5.953
  713   1HE   LYS  94          2HE       LYS  94 -14.357   3.362  -7.084
  714   2HE   LYS  94          3HE       LYS  94 -16.111   3.339  -6.887
  715   1HZ   LYS  94          1HZ       LYS  94 -14.681   4.159  -9.362
  716   2HZ   LYS  94          2HZ       LYS  94 -15.406   2.721  -9.137
  717   3HZ   LYS  94          3HZ       LYS  94 -16.313   4.075  -9.213
  718    H    HIS  95           H        HIS  95 -19.075   6.775  -3.049
  719    HA   HIS  95           HA       HIS  95 -20.896   4.600  -2.586
  720   1HB   HIS  95          2HB       HIS  95 -19.495   5.539  -0.795
  721   2HB   HIS  95          3HB       HIS  95 -20.337   7.084  -0.915
  722    HD1  HIS  95           HD1      HIS  95 -21.570   3.398  -0.394
  723    HD2  HIS  95           HD2      HIS  95 -22.139   7.352   0.928
  724    HE1  HIS  95           HE1      HIS  95 -23.432   3.310   1.330
  725    H    GLN  96           H        GLN  96 -21.412   8.161  -3.048
  726    HA   GLN  96           HA       GLN  96 -24.243   8.037  -2.770
  727   1HB   GLN  96          2HB       GLN  96 -22.411   9.986  -4.224
  728   2HB   GLN  96          3HB       GLN  96 -24.165  10.197  -4.125
  729   1HG   GLN  96          2HG       GLN  96 -24.080  10.234  -1.670
  730   2HG   GLN  96          3HG       GLN  96 -22.346   9.939  -1.696
  731   1HE2  GLN  96          2HE2      GLN  96 -22.159  11.947  -0.410
  732   2HE2  GLN  96          1HE2      GLN  96 -22.204  13.491  -1.220
  733    H    ARG  97           H        ARG  97 -22.154   7.579  -5.658
  734    HA   ARG  97           HA       ARG  97 -24.417   7.131  -7.432
  735   1HB   ARG  97          2HB       ARG  97 -21.416   6.633  -7.737
  736   2HB   ARG  97          3HB       ARG  97 -22.606   6.290  -8.997
  737   1HG   ARG  97          2HG       ARG  97 -23.412   8.710  -8.723
  738   2HG   ARG  97          3HG       ARG  97 -21.926   9.017  -7.826
  739   1HD   ARG  97          2HD       ARG  97 -21.987   7.798 -10.620
  740   2HD   ARG  97          3HD       ARG  97 -22.000   9.539 -10.355
  741    HE   ARG  97           HE       ARG  97 -19.823   8.966  -8.960
  742   1HH1  ARG  97          1HH2      ARG  97 -20.754   7.637 -12.122
  743   2HH1  ARG  97          2HH2      ARG  97 -19.163   7.709 -12.780
  744   1HH2  ARG  97          1HH1      ARG  97 -17.740   9.297  -9.949
  745   2HH2  ARG  97          2HH1      ARG  97 -17.398   8.534 -11.463
  746    H    ASN  98           H        ASN  98 -23.500   5.264  -4.898
  747    HA   ASN  98           HA       ASN  98 -23.508   3.130  -4.312
  748   1HB   ASN  98          2HB       ASN  98 -25.940   3.510  -4.730
  749   2HB   ASN  98          3HB       ASN  98 -25.739   2.801  -6.337
  750   1HD2  ASN  98          2HD2      ASN  98 -26.889   0.836  -6.096
  751   2HD2  ASN  98          1HD2      ASN  98 -26.521  -0.349  -4.871
  752    H    GLU  99           H        GLU  99 -21.530   3.751  -6.092
  753    HA   GLU  99           HA       GLU  99 -21.180   1.372  -7.847
  754   1HB   GLU  99          2HB       GLU  99 -21.075   3.687  -8.814
  755   2HB   GLU  99          3HB       GLU  99 -19.685   4.025  -7.775
  756   1HG   GLU  99          2HG       GLU  99 -18.427   2.184  -8.875
  757   2HG   GLU  99          3HG       GLU  99 -19.836   1.814  -9.876
  758    H    LEU 100           H        LEU 100 -19.944   3.127  -5.029
  759    HA   LEU 100           HA       LEU 100 -17.484   1.710  -4.716
  760   1HB   LEU 100          2HB       LEU 100 -18.154   3.824  -3.492
  761   2HB   LEU 100          3HB       LEU 100 -19.292   2.862  -2.546
  762    HG   LEU 100           HG       LEU 100 -17.334   1.513  -1.695
  763   1HD1  LEU 100          1HD1      LEU 100 -15.712   3.645  -3.158
  764   2HD1  LEU 100          2HD1      LEU 100 -15.065   2.547  -1.923
  765   3HD1  LEU 100          3HD1      LEU 100 -15.671   1.886  -3.441
  766   1HD2  LEU 100          1HD2      LEU 100 -17.216   4.511  -1.193
  767   2HD2  LEU 100          2HD2      LEU 100 -18.284   3.349  -0.373
  768   3HD2  LEU 100          3HD2      LEU 100 -16.535   3.249  -0.143
  769    H    LEU 101           H        LEU 101 -20.847   0.944  -3.720
  770    HA   LEU 101           HA       LEU 101 -20.146  -1.230  -2.038
  771   1HB   LEU 101          2HB       LEU 101 -22.625  -0.086  -3.094
  772   2HB   LEU 101          3HB       LEU 101 -22.700  -1.837  -3.102
  773    HG   LEU 101           HG       LEU 101 -23.636  -0.898  -1.072
  774   1HD1  LEU 101          1HD1      LEU 101 -22.490  -2.318   0.563
  775   2HD1  LEU 101          2HD1      LEU 101 -22.649  -3.151  -0.992
  776   3HD1  LEU 101          3HD1      LEU 101 -21.082  -2.476  -0.502
  777   1HD2  LEU 101          1HD2      LEU 101 -22.161   1.110  -0.933
  778   2HD2  LEU 101          2HD2      LEU 101 -20.850   0.072  -0.318
  779   3HD2  LEU 101          3HD2      LEU 101 -22.367   0.240   0.594
  780    HA   PRO 102           HA       PRO 102 -20.797  -4.169  -5.916
  781   1HB   PRO 102          2HB       PRO 102 -19.951  -2.046  -7.920
  782   2HB   PRO 102          3HB       PRO 102 -20.874  -3.551  -8.215
  783   1HG   PRO 102          2HG       PRO 102 -22.181  -1.199  -7.954
  784   2HG   PRO 102          3HG       PRO 102 -22.810  -2.655  -7.115
  785   1HD   PRO 102          2HD       PRO 102 -21.239  -0.358  -5.966
  786   2HD   PRO 102          3HD       PRO 102 -22.600  -1.266  -5.269
  787    H    LEU 103           H        LEU 103 -18.324  -1.523  -6.076
  788    HA   LEU 103           HA       LEU 103 -16.167  -3.212  -6.840
  789   1HB   LEU 103          2HB       LEU 103 -16.146  -0.799  -7.142
  790   2HB   LEU 103          3HB       LEU 103 -16.276  -0.533  -5.405
  791    HG   LEU 103           HG       LEU 103 -14.050  -1.461  -5.037
  792   1HD1  LEU 103          1HD1      LEU 103 -13.909  -1.797  -8.067
  793   2HD1  LEU 103          2HD1      LEU 103 -12.527  -1.924  -6.955
  794   3HD1  LEU 103          3HD1      LEU 103 -13.840  -3.097  -6.856
  795   1HD2  LEU 103          1HD2      LEU 103 -12.782   0.351  -6.029
  796   2HD2  LEU 103          2HD2      LEU 103 -14.047   0.630  -7.247
  797   3HD2  LEU 103          3HD2      LEU 103 -14.366   0.953  -5.527
  798    H    LEU 104           H        LEU 104 -17.327  -2.182  -3.584
  799    HA   LEU 104           HA       LEU 104 -15.237  -3.518  -2.132
  800   1HB   LEU 104          2HB       LEU 104 -18.037  -2.599  -1.382
  801   2HB   LEU 104          3HB       LEU 104 -16.958  -3.378  -0.238
  802    HG   LEU 104           HG       LEU 104 -16.161  -0.837  -1.715
  803   1HD1  LEU 104          1HD1      LEU 104 -16.782   0.342   0.395
  804   2HD1  LEU 104          2HD1      LEU 104 -18.183  -0.373  -0.423
  805   3HD1  LEU 104          3HD1      LEU 104 -17.499  -1.167   1.004
  806   1HD2  LEU 104          1HD2      LEU 104 -15.103  -2.132   0.835
  807   2HD2  LEU 104          2HD2      LEU 104 -14.274  -2.109  -0.737
  808   3HD2  LEU 104          3HD2      LEU 104 -14.549  -0.600   0.135
  809    H    GLN 105           H        GLN 105 -18.525  -4.595  -3.193
  810    HA   GLN 105           HA       GLN 105 -18.324  -7.121  -1.855
  811   1HB   GLN 105          2HB       GLN 105 -19.954  -6.392  -4.336
  812   2HB   GLN 105          3HB       GLN 105 -20.073  -7.899  -3.417
  813   1HG   GLN 105          2HG       GLN 105 -20.511  -6.335  -1.363
  814   2HG   GLN 105          3HG       GLN 105 -20.891  -5.113  -2.570
  815   1HE2  GLN 105          2HE2      GLN 105 -22.836  -5.781  -0.779
  816   2HE2  GLN 105          1HE2      GLN 105 -24.066  -6.769  -1.529
  817    H    ASP 106           H        ASP 106 -17.327  -6.020  -5.095
  818    HA   ASP 106           HA       ASP 106 -16.512  -8.584  -6.057
  819   1HB   ASP 106          2HB       ASP 106 -16.869  -6.685  -7.538
  820   2HB   ASP 106          3HB       ASP 106 -15.527  -5.809  -6.791
  821    H    ALA 107           H        ALA 107 -14.771  -6.055  -4.208
  822    HA   ALA 107           HA       ALA 107 -12.304  -7.562  -4.007
  823   1HB   ALA 107          1HB       ALA 107 -13.385  -5.274  -2.300
  824   2HB   ALA 107          2HB       ALA 107 -11.704  -5.847  -2.352
  825   3HB   ALA 107          3HB       ALA 107 -12.425  -5.102  -3.789
  826    H    ALA 108           H        ALA 108 -15.317  -8.236  -2.733
  827    HA   ALA 108           HA       ALA 108 -16.235  -9.226  -0.986
  828   1HB   ALA 108          1HB       ALA 108 -13.617 -10.765  -0.826
  829   2HB   ALA 108          2HB       ALA 108 -15.167 -11.252  -0.111
  830   3HB   ALA 108          3HB       ALA 108 -15.004 -11.151  -1.873
  831    H    ALA 109           H        ALA 109 -14.830  -6.713  -0.464
  832    HA   ALA 109           HA       ALA 109 -13.544  -6.835   2.141
  833   1HB   ALA 109          1HB       ALA 109 -14.761  -4.509   0.574
  834   2HB   ALA 109          2HB       ALA 109 -13.705  -4.377   1.996
  835   3HB   ALA 109          3HB       ALA 109 -13.076  -5.052   0.472
  836    H    THR 110           H        THR 110 -16.806  -6.012   0.881
  837    HA   THR 110           HA       THR 110 -17.932  -5.640   3.564
  838    HB   THR 110           HB       THR 110 -20.059  -5.497   2.025
  839    HG1  THR 110           1HG      THR 110 -19.064  -6.359   0.183
  840   1HG2  THR 110          1HG2      THR 110 -19.110  -3.510   3.047
  841   2HG2  THR 110          2HG2      THR 110 -17.793  -3.468   1.860
  842   3HG2  THR 110          3HG2      THR 110 -19.468  -3.162   1.346
  843    H    ALA 111           H        ALA 111 -18.209  -7.468   4.731
  844    HA   ALA 111           HA       ALA 111 -18.258 -10.078   3.625
  845   1HB   ALA 111          1HB       ALA 111 -17.488  -9.536   5.908
  846   2HB   ALA 111          2HB       ALA 111 -19.157  -9.126   6.378
  847   3HB   ALA 111          3HB       ALA 111 -18.737 -10.792   5.926
  848    H    LYS 112           H        LYS 112 -20.777  -7.826   3.541
  849    HA   LYS 112           HA       LYS 112 -23.160  -9.215   3.954
  850   1HB   LYS 112          2HB       LYS 112 -22.350  -7.213   1.792
  851   2HB   LYS 112          3HB       LYS 112 -23.994  -7.823   1.968
  852   1HG   LYS 112          2HG       LYS 112 -24.158  -6.923   4.233
  853   2HG   LYS 112          3HG       LYS 112 -22.503  -6.284   4.137
  854   1HD   LYS 112          2HD       LYS 112 -23.084  -4.725   2.416
  855   2HD   LYS 112          3HD       LYS 112 -24.617  -5.553   2.071
  856   1HE   LYS 112          2HE       LYS 112 -25.443  -4.950   4.341
  857   2HE   LYS 112          3HE       LYS 112 -23.960  -4.029   4.628
  858   1HZ   LYS 112          1HZ       LYS 112 -25.814  -2.644   3.857
  859   2HZ   LYS 112          2HZ       LYS 112 -24.579  -2.578   2.795
  860   3HZ   LYS 112          3HZ       LYS 112 -25.910  -3.470   2.459
  861    H    ASN 113           H        ASN 113 -20.923  -9.468   1.207
  862    HA   ASN 113           HA       ASN 113 -22.411 -11.812   0.153
  863   1HB   ASN 113          2HB       ASN 113 -23.424  -9.980  -1.037
  864   2HB   ASN 113          3HB       ASN 113 -21.840  -9.268  -1.372
  865   1HD2  ASN 113          2HD2      ASN 113 -22.680  -9.334  -3.629
  866   2HD2  ASN 113          1HD2      ASN 113 -22.340 -10.796  -4.553
  867    HA   PRO 114           HA       PRO 114 -17.860 -12.330   0.148
  868   1HB   PRO 114          2HB       PRO 114 -17.726 -14.990   0.760
  869   2HB   PRO 114          3HB       PRO 114 -18.121 -13.740   1.975
  870   1HG   PRO 114          2HG       PRO 114 -20.054 -15.478   0.404
  871   2HG   PRO 114          3HG       PRO 114 -20.007 -15.199   2.176
  872   1HD   PRO 114          2HD       PRO 114 -21.652 -13.795   0.511
  873   2HD   PRO 114          3HD       PRO 114 -20.908 -13.035   1.951
  874    H    ALA 115           H        ALA 115 -20.174 -13.133  -2.144
  875    HA   ALA 115           HA       ALA 115 -18.332 -14.819  -3.767
  876   1HB   ALA 115          1HB       ALA 115 -21.373 -14.810  -3.683
  877   2HB   ALA 115          2HB       ALA 115 -20.337 -15.898  -4.632
  878   3HB   ALA 115          3HB       ALA 115 -20.318 -15.988  -2.865
  879    H    GLN 116           H        GLN 116 -18.770 -11.770  -3.654
  880    HA   GLN 116           HA       GLN 116 -18.468 -10.065  -5.050
  881   1HB   GLN 116          2HB       GLN 116 -18.431 -12.008  -7.383
  882   2HB   GLN 116          3HB       GLN 116 -17.901 -10.339  -7.400
  883   1HG   GLN 116          2HG       GLN 116 -16.023 -10.803  -5.963
  884   2HG   GLN 116          3HG       GLN 116 -16.607 -12.421  -5.591
  885   1HE2  GLN 116          2HE2      GLN 116 -15.322 -10.396  -8.320
  886   2HE2  GLN 116          1HE2      GLN 116 -14.738 -11.777  -9.222
  887    H    LEU 117           H        LEU 117 -19.573  -8.649  -6.580
  888    HA   LEU 117           HA       LEU 117 -22.416  -8.720  -6.265
  889   1HB   LEU 117          2HB       LEU 117 -20.827  -6.685  -6.613
  890   2HB   LEU 117          3HB       LEU 117 -20.873  -7.082  -8.316
  891    HG   LEU 117           HG       LEU 117 -22.384  -5.309  -7.898
  892   1HD1  LEU 117          1HD1      LEU 117 -24.481  -6.031  -8.739
  893   2HD1  LEU 117          2HD1      LEU 117 -23.245  -7.054  -9.485
  894   3HD1  LEU 117          3HD1      LEU 117 -24.250  -7.683  -8.154
  895   1HD2  LEU 117          1HD2      LEU 117 -24.210  -5.341  -6.298
  896   2HD2  LEU 117          2HD2      LEU 117 -23.785  -6.987  -5.786
  897   3HD2  LEU 117          3HD2      LEU 117 -22.674  -5.640  -5.475