NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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496393 |
2l31   |
17158 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# 3 LYS QB 4 ALA H &rst iat= -1,44, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 26,27, &end # # 4 ALA H 4 ALA QB &rst iat= 44, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 48,49,50, &end # # 4 ALA HA 5 GLU H &rst iat= 46,54, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 4 ALA HA 5 GLU QB &rst iat= 46, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 58,59, &end # # 4 ALA HA 5 GLU QG &rst iat= 46, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 61,62, &end # # 4 ALA QB 5 GLU H &rst iat= -1,54, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 48,49,50, &end # # 5 GLU H 5 GLU QB &rst iat= 54, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 58,59, &end # # 7 THR H 7 THR HB &rst iat= 91,95, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 THR H 7 THR QG2 &rst iat= 91, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 97,98,99, &end # # 7 THR HA 7 THR QG2 &rst iat= 93, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 97,98,99, &end # # 7 THR H 8 LEU H &rst iat= 91,105, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 THR HA 8 LEU H &rst iat= 93,105, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 THR HA 8 LEU QB &rst iat= 93, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 109,110, &end # # 7 THR HA 8 LEU QD &rst iat= 93, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 114,115,116,118,119,120, &end # # 7 THR HB 8 LEU H &rst iat= 95,105, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 THR HB 8 LEU HA &rst iat= 95,107, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 THR QG2 8 LEU H &rst iat= -1,105, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 97,98,99, &end # # 7 THR QG2 8 LEU HA &rst iat= -1,107, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 97,98,99, &end # # 7 THR QG2 8 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.91, r4= 9.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 97,98,99, igr2= 114,115,116,118,119,120, &end # # 7 THR HB 9 GLY H &rst iat= 95,124, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 THR QG2 9 GLY H &rst iat= -1,124, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 97,98,99, &end # # 7 THR QG2 10 ASP H &rst iat= -1,131, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 97,98,99, &end # # 7 THR QG2 11 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 97,98,99, igr2= 151,159, &end # # 7 THR QG2 12 ALA H &rst iat= -1,163, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 97,98,99, &end # # 7 THR QG2 12 ALA HA &rst iat= -1,165, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 97,98,99, &end # # 7 THR QG2 13 ALA H &rst iat= -1,173, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 97,98,99, &end # # 7 THR H 78 GLN HA &rst iat= 91,1220, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 THR H 78 GLN QB &rst iat= 91, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1222,1223, &end # # 7 THR HA 78 GLN H &rst iat= 93,1218, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 THR HA 78 GLN HA &rst iat= 93,1220, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 THR HA 78 GLN QB &rst iat= 93, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1222,1223, &end # # 7 THR QG2 78 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 97,98,99, igr2= 1222,1223, &end # # 7 THR HA 79 LEU H &rst iat= 93,1235, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 THR QG2 79 LEU HA &rst iat= -1,1237, r1= 0, r2= 0, r3= 3.48, r4= 4.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 97,98,99, &end # # 7 THR QG2 79 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 97,98,99, igr2= 1239,1240, &end # # 7 THR QG2 79 LEU HG &rst iat= -1,1242, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 97,98,99, &end # # 7 THR H 80 LYS HA &rst iat= 91,1256, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 THR H 80 LYS QG &rst iat= 91, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1261,1262, &end # # 7 THR HA 80 LYS H &rst iat= 93,1254, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 THR HB 80 LYS HA &rst iat= 95,1256, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 THR QG2 80 LYS H &rst iat= -1,1254, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 97,98,99, &end # # 7 THR QG2 80 LYS HA &rst iat= -1,1256, r1= 0, r2= 0, r3= 4.08, r4= 4.68, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 97,98,99, &end # # 7 THR QG2 80 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 97,98,99, igr2= 1258,1259, &end # # 7 THR QG2 80 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 97,98,99, igr2= 1261,1262, &end # # 7 THR QG2 80 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 97,98,99, igr2= 1267,1268, &end # # 7 THR QG2 81 GLY H &rst iat= -1,1276, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 97,98,99, &end # # 8 LEU H 8 LEU HG &rst iat= 105,112, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU H 8 LEU QD &rst iat= 105, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 114,115,116,118,119,120, &end # # 8 LEU HA 8 LEU QD &rst iat= 107, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 114,115,116,118,119,120, &end # # 8 LEU QB 8 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.292, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 109,110, igr2= 114,115,116,118,119,120, &end # # 8 LEU H 9 GLY H &rst iat= 105,124, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU HA 9 GLY H &rst iat= 107,124, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU HA 9 GLY QA &rst iat= 107, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 126,127, &end # # 8 LEU QB 9 GLY H &rst iat= -1,124, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 109,110, &end # # 8 LEU HG 9 GLY H &rst iat= 112,124, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU QD 9 GLY H &rst iat= -1,124, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 114,115,116,118,119,120, &end # # 8 LEU H 10 ASP H &rst iat= 105,131, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU QB 10 ASP H &rst iat= -1,131, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 109,110, &end # # 8 LEU QD 10 ASP H &rst iat= -1,131, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 114,115,116,118,119,120, &end # # 8 LEU QD 10 ASP HA &rst iat= -1,133, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 114,115,116,118,119,120, &end # # 8 LEU H 11 PHE H &rst iat= 105,143, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU QB 11 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 109,110, igr2= 153,157, &end # # 8 LEU HG 11 PHE H &rst iat= 112,143, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU QD 11 PHE H &rst iat= -1,143, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 114,115,116,118,119,120, &end # # 8 LEU QD 11 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 114,115,116,118,119,120, igr2= 147,148, &end # # 8 LEU QD 11 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 114,115,116,118,119,120, igr2= 151,159, &end # # 8 LEU QD 11 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 114,115,116,118,119,120, igr2= 153,157, &end # # 8 LEU QD 11 PHE HZ &rst iat= -1,155, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 114,115,116,118,119,120, &end # # 8 LEU QD 70 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 114,115,116,118,119,120, igr2= 1100,1108, &end # # 8 LEU QD 70 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 114,115,116,118,119,120, igr2= 1102,1106, &end # # 8 LEU QB 74 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 109,110, igr2= 1173,1182, &end # # 8 LEU QB 74 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 109,110, igr2= 1175,1180, &end # # 8 LEU QD 74 TYR H &rst iat= -1,1165, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 114,115,116,118,119,120, &end # # 8 LEU QD 74 TYR QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 114,115,116,118,119,120, igr2= 1169,1170, &end # # 8 LEU QD 74 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 114,115,116,118,119,120, igr2= 1173,1182, &end # # 8 LEU QD 74 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 114,115,116,118,119,120, igr2= 1175,1180, &end # # 8 LEU H 78 GLN H &rst iat= 105,1218, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU H 78 GLN HA &rst iat= 105,1220, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU H 78 GLN QB &rst iat= 105, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1222,1223, &end # # 8 LEU QD 78 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 114,115,116,118,119,120, igr2= 1222,1223, &end # # 8 LEU H 79 LEU H &rst iat= 105,1235, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU H 79 LEU HA &rst iat= 105,1237, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU QD 79 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.10775, r4= 8.019, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 114,115,116,118,119,120, igr2= 1244,1245,1246,1248,1249,1250, &end # # 8 LEU H 80 LYS H &rst iat= 105,1254, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 LEU QD 80 LYS H &rst iat= -1,1254, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 114,115,116,118,119,120, &end # # 9 GLY H 10 ASP H &rst iat= 124,131, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 GLY H 10 ASP HA &rst iat= 124,133, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 GLY H 10 ASP QB &rst iat= 124, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 135,136, &end # # 9 GLY H 11 PHE H &rst iat= 124,143, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 GLY H 11 PHE QD &rst iat= 124, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 151,159, &end # # 9 GLY QA 11 PHE H &rst iat= -1,143, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 126,127, &end # # 10 ASP H 10 ASP QB &rst iat= 131, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 135,136, &end # # 10 ASP H 11 PHE H &rst iat= 131,143, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 ASP H 11 PHE HA &rst iat= 131,145, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 ASP H 11 PHE QB &rst iat= 131, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 147,148, &end # # 10 ASP H 11 PHE QD &rst iat= 131, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 151,159, &end # # 10 ASP H 11 PHE QE &rst iat= 131, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 153,157, &end # # 10 ASP QB 11 PHE H &rst iat= -1,143, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 135,136, &end # # 10 ASP QB 11 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 135,136, igr2= 147,148, &end # # 10 ASP QB 11 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 135,136, igr2= 151,159, &end # # 10 ASP QB 39 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 135,136, igr2= 585,586, &end # # 10 ASP QB 39 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 135,136, igr2= 588,589, &end # # 10 ASP H 40 LYS H &rst iat= 131,600, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 ASP H 40 LYS QB &rst iat= 131, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 604,605, &end # # 10 ASP H 40 LYS QE &rst iat= 131, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 613,614, &end # # 10 ASP HA 40 LYS H &rst iat= 133,600, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 ASP HA 40 LYS QB &rst iat= 133, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 604,605, &end # # 10 ASP HA 40 LYS QE &rst iat= 133, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 613,614, &end # # 10 ASP QB 40 LYS H &rst iat= -1,600, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 135,136, &end # # 10 ASP QB 40 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 135,136, igr2= 604,605, &end # # 10 ASP QB 40 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 135,136, igr2= 613,614, &end # # 10 ASP H 79 LEU QD &rst iat= 131, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1244,1245,1246,1248,1249,1250, &end # # 11 PHE H 11 PHE QD &rst iat= 143, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 151,159, &end # # 11 PHE H 11 PHE QE &rst iat= 143, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 153,157, &end # # 11 PHE HA 11 PHE QD &rst iat= 145, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 151,159, &end # # 11 PHE H 12 ALA H &rst iat= 143,163, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 PHE H 12 ALA HA &rst iat= 143,165, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 PHE H 12 ALA QB &rst iat= 143, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 167,168,169, &end # # 11 PHE HA 12 ALA H &rst iat= 145,163, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 PHE HA 12 ALA HA &rst iat= 145,165, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 PHE HA 12 ALA QB &rst iat= 145, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 167,168,169, &end # # 11 PHE QB 12 ALA H &rst iat= -1,163, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 147,148, &end # # 11 PHE QB 12 ALA HA &rst iat= -1,165, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 147,148, &end # # 11 PHE QD 12 ALA H &rst iat= -1,163, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 151,159, &end # # 11 PHE QD 13 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 151,159, igr2= 177,178,179, &end # # 11 PHE HA 38 SER H &rst iat= 145,567, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 PHE QB 38 SER H &rst iat= -1,567, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 147,148, &end # # 11 PHE HA 39 LYS H &rst iat= 145,578, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 PHE HA 39 LYS HA &rst iat= 145,580, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 PHE QB 39 LYS H &rst iat= -1,578, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 147,148, &end # # 11 PHE QB 39 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 147,148, igr2= 588,589, &end # # 11 PHE QD 39 LYS HA &rst iat= -1,580, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 151,159, &end # # 11 PHE H 40 LYS H &rst iat= 143,600, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 PHE HA 40 LYS H &rst iat= 145,600, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 PHE QB 40 LYS H &rst iat= -1,600, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 147,148, &end # # 11 PHE QB 70 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 147,148, igr2= 1100,1108, &end # # 11 PHE QD 70 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 151,159, igr2= 1102,1106, &end # # 11 PHE QE 70 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 153,157, igr2= 1100,1108, &end # # 11 PHE QE 70 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 153,157, igr2= 1102,1106, &end # # 11 PHE HZ 70 PHE QD &rst iat= 155, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1100,1108, &end # # 11 PHE QE 78 GLN HA &rst iat= -1,1220, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 153,157, &end # # 11 PHE HZ 78 GLN QB &rst iat= 155, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1222,1223, &end # # 11 PHE H 79 LEU QD &rst iat= 143, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1244,1245,1246,1248,1249,1250, &end # # 11 PHE HA 79 LEU QD &rst iat= 145, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1244,1245,1246,1248,1249,1250, &end # # 11 PHE QB 79 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 147,148, igr2= 1244,1245,1246,1248,1249,1250, &end # # 11 PHE QD 79 LEU HG &rst iat= -1,1242, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 151,159, &end # # 11 PHE QD 79 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 151,159, igr2= 1244,1245,1246,1248,1249,1250, &end # # 11 PHE QE 79 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 153,157, igr2= 1239,1240, &end # # 11 PHE QE 79 LEU HG &rst iat= -1,1242, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 153,157, &end # # 11 PHE QE 79 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 153,157, igr2= 1244,1245,1246,1248,1249,1250, &end # # 11 PHE HZ 79 LEU HG &rst iat= 155,1242, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 PHE HZ 79 LEU QD &rst iat= 155, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1244,1245,1246,1248,1249,1250, &end # # 11 PHE H 80 LYS H &rst iat= 143,1254, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 PHE H 80 LYS QE &rst iat= 143, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1267,1268, &end # # 11 PHE QB 80 LYS H &rst iat= -1,1254, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 147,148, &end # # 11 PHE QD 80 LYS H &rst iat= -1,1254, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 151,159, &end # # 12 ALA H 12 ALA QB &rst iat= 163, -1, r1= 0, r2= 0, r3= 4.08, r4= 4.68, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 167,168,169, &end # # 12 ALA H 13 ALA H &rst iat= 163,173, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 ALA HA 13 ALA H &rst iat= 165,173, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 ALA HA 13 ALA QB &rst iat= 165, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 177,178,179, &end # # 12 ALA QB 13 ALA H &rst iat= -1,173, r1= 0, r2= 0, r3= 3.72, r4= 4.32, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 167,168,169, &end # # 12 ALA QB 13 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.768, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 167,168,169, igr2= 177,178,179, &end # # 12 ALA H 37 LEU HA &rst iat= 163,550, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 ALA H 37 LEU QB &rst iat= 163, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 552,553, &end # # 12 ALA H 37 LEU QD &rst iat= 163, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 557,558,559,561,562,563, &end # # 12 ALA H 38 SER H &rst iat= 163,567, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 ALA H 38 SER QB &rst iat= 163, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 571,572, &end # # 12 ALA QB 38 SER H &rst iat= -1,567, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 167,168,169, &end # # 12 ALA QB 38 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 167,168,169, igr2= 571,572, &end # # 12 ALA H 39 LYS HA &rst iat= 163,580, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 ALA H 40 LYS H &rst iat= 163,600, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 ALA QB 55 TRP HZ2 &rst iat= -1,860, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 167,168,169, &end # # 12 ALA QB 55 TRP HH2 &rst iat= -1,862, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 167,168,169, &end # # 12 ALA H 79 LEU HA &rst iat= 163,1237, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 ALA H 79 LEU QD &rst iat= 163, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1244,1245,1246,1248,1249,1250, &end # # 12 ALA HA 79 LEU HA &rst iat= 165,1237, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 ALA HA 79 LEU QB &rst iat= 165, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1239,1240, &end # # 12 ALA HA 79 LEU QD &rst iat= 165, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1244,1245,1246,1248,1249,1250, &end # # 12 ALA QB 79 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.614, r4= 8.424, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 167,168,169, igr2= 1244,1245,1246,1248,1249,1250, &end # # 12 ALA H 80 LYS H &rst iat= 163,1254, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 ALA H 80 LYS QG &rst iat= 163, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1261,1262, &end # # 12 ALA H 80 LYS QE &rst iat= 163, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1267,1268, &end # # 12 ALA HA 80 LYS H &rst iat= 165,1254, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 ALA HA 80 LYS HA &rst iat= 165,1256, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 ALA HA 80 LYS QB &rst iat= 165, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1258,1259, &end # # 12 ALA HA 80 LYS QG &rst iat= 165, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1261,1262, &end # # 12 ALA HA 80 LYS QE &rst iat= 165, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1267,1268, &end # # 12 ALA QB 80 LYS H &rst iat= -1,1254, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 167,168,169, &end # # 12 ALA QB 80 LYS HA &rst iat= -1,1256, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 167,168,169, &end # # 12 ALA QB 80 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 167,168,169, igr2= 1258,1259, &end # # 12 ALA QB 80 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 167,168,169, igr2= 1261,1262, &end # # 12 ALA QB 80 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 167,168,169, igr2= 1267,1268, &end # # 12 ALA QB 81 GLY H &rst iat= -1,1276, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 167,168,169, &end # # 13 ALA H 13 ALA QB &rst iat= 173, -1, r1= 0, r2= 0, r3= 3.72, r4= 4.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 177,178,179, &end # # 13 ALA H 14 GLU HA &rst iat= 173,185, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 ALA HA 14 GLU H &rst iat= 175,183, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 ALA QB 14 GLU H &rst iat= -1,183, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, &end # # 13 ALA QB 14 GLU HA &rst iat= -1,185, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, &end # # 13 ALA HA 35 VAL QG &rst iat= 175, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 514,515,516,518,519,520, &end # # 13 ALA QB 35 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, igr2= 514,515,516,518,519,520, &end # # 13 ALA HA 36 ARG H &rst iat= 175,524, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 ALA QB 36 ARG H &rst iat= -1,524, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, &end # # 13 ALA H 37 LEU HA &rst iat= 173,550, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 ALA H 37 LEU QB &rst iat= 173, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 552,553, &end # # 13 ALA H 37 LEU QD &rst iat= 173, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 557,558,559,561,562,563, &end # # 13 ALA HA 37 LEU H &rst iat= 175,548, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 ALA HA 37 LEU HA &rst iat= 175,550, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 ALA HA 37 LEU QB &rst iat= 175, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 552,553, &end # # 13 ALA HA 37 LEU QD &rst iat= 175, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 557,558,559,561,562,563, &end # # 13 ALA QB 37 LEU HA &rst iat= -1,550, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, &end # # 13 ALA QB 37 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, igr2= 552,553, &end # # 13 ALA QB 37 LEU HG &rst iat= -1,555, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, &end # # 13 ALA QB 37 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.184, r4= 5.994, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, igr2= 557,558,559,561,562,563, &end # # 13 ALA H 38 SER H &rst iat= 173,567, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 ALA HA 38 SER H &rst iat= 175,567, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 ALA QB 38 SER H &rst iat= -1,567, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, &end # # 13 ALA HA 55 TRP HZ3 &rst iat= 175,864, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 ALA H 79 LEU HA &rst iat= 173,1237, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 ALA H 79 LEU QB &rst iat= 173, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1239,1240, &end # # 13 ALA H 79 LEU QD &rst iat= 173, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1244,1245,1246,1248,1249,1250, &end # # 13 ALA HA 79 LEU QD &rst iat= 175, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1244,1245,1246,1248,1249,1250, &end # # 13 ALA QB 79 LEU H &rst iat= -1,1235, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, &end # # 13 ALA QB 79 LEU HA &rst iat= -1,1237, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, &end # # 13 ALA QB 79 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.508, r4= 6.318, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, igr2= 1244,1245,1246,1248,1249,1250, &end # # 13 ALA H 80 LYS H &rst iat= 173,1254, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 ALA H 80 LYS HA &rst iat= 173,1256, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 ALA H 80 LYS QB &rst iat= 173, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1258,1259, &end # # 13 ALA H 80 LYS QE &rst iat= 173, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1267,1268, &end # # 13 ALA QB 80 LYS H &rst iat= -1,1254, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, &end # # 13 ALA QB 80 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, igr2= 1258,1259, &end # # 13 ALA H 81 GLY H &rst iat= 173,1276, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 ALA H 81 GLY QA &rst iat= 173, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1278,1279, &end # # 13 ALA H 82 PHE H &rst iat= 173,1283, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 ALA H 82 PHE HA &rst iat= 173,1285, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 ALA H 82 PHE QB &rst iat= 173, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1287,1288, &end # # 13 ALA QB 82 PHE H &rst iat= -1,1283, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, &end # # 13 ALA QB 82 PHE HA &rst iat= -1,1285, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, &end # # 13 ALA QB 82 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, igr2= 1287,1288, &end # # 13 ALA QB 82 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, igr2= 1291,1299, &end # # 13 ALA H 85 LEU QD &rst iat= 173, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1342,1343,1344,1346,1347,1348, &end # # 13 ALA HA 85 LEU QD &rst iat= 175, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1342,1343,1344,1346,1347,1348, &end # # 13 ALA QB 85 LEU HG &rst iat= -1,1340, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, &end # # 13 ALA QB 85 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.318, r4= 7.128, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, igr2= 1342,1343,1344,1346,1347,1348, &end # # 13 ALA QB 93 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.318, r4= 7.128, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 177,178,179, igr2= 1459,1460,1461,1463,1464,1465, &end # # 14 GLU H 14 GLU QG &rst iat= 183, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 190,191, &end # # 14 GLU H 15 TYR H &rst iat= 183,198, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 GLU H 15 TYR HA &rst iat= 183,200, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 GLU H 15 TYR QD &rst iat= 183, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 206,215, &end # # 14 GLU HA 15 TYR H &rst iat= 185,198, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 GLU HA 15 TYR QD &rst iat= 185, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 206,215, &end # # 14 GLU QB 15 TYR H &rst iat= -1,198, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 187,188, &end # # 14 GLU QG 15 TYR H &rst iat= -1,198, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 190,191, &end # # 14 GLU H 35 VAL HA &rst iat= 183,510, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 GLU H 35 VAL QG &rst iat= 183, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 514,515,516,518,519,520, &end # # 14 GLU H 36 ARG H &rst iat= 183,524, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 GLU H 36 ARG HA &rst iat= 183,526, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 GLU H 36 ARG QG &rst iat= 183, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 531,532, &end # # 14 GLU HA 36 ARG H &rst iat= 185,524, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 GLU QG 36 ARG H &rst iat= -1,524, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 190,191, &end # # 14 GLU H 37 LEU H &rst iat= 183,548, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 GLU H 37 LEU HA &rst iat= 183,550, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 GLU H 37 LEU QB &rst iat= 183, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 552,553, &end # # 14 GLU H 37 LEU QD &rst iat= 183, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 557,558,559,561,562,563, &end # # 14 GLU HA 37 LEU QD &rst iat= 185, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 557,558,559,561,562,563, &end # # 14 GLU H 55 TRP HE3 &rst iat= 183,866, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 GLU H 55 TRP HZ3 &rst iat= 183,864, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 GLU QB 55 TRP HZ3 &rst iat= -1,864, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 187,188, &end # # 14 GLU QB 55 TRP HH2 &rst iat= -1,862, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 187,188, &end # # 14 GLU QG 55 TRP HH2 &rst iat= -1,862, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 190,191, &end # # 14 GLU H 85 LEU QD &rst iat= 183, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1342,1343,1344,1346,1347,1348, &end # # 14 GLU HA 85 LEU QD &rst iat= 185, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1342,1343,1344,1346,1347,1348, &end # # 14 GLU QB 85 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 187,188, igr2= 1342,1343,1344,1346,1347,1348, &end # # 15 TYR H 15 TYR QB &rst iat= 198, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 202,203, &end # # 15 TYR H 15 TYR QD &rst iat= 198, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 206,215, &end # # 15 TYR H 15 TYR QE &rst iat= 198, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 208,213, &end # # 15 TYR HA 15 TYR QD &rst iat= 200, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 206,215, &end # # 15 TYR HA 15 TYR QE &rst iat= 200, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 208,213, &end # # 15 TYR QB 15 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 202,203, igr2= 206,215, &end # # 15 TYR H 16 ALA H &rst iat= 198,219, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 TYR HA 16 ALA H &rst iat= 200,219, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 TYR HA 16 ALA HA &rst iat= 200,221, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 TYR HA 16 ALA QB &rst iat= 200, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 223,224,225, &end # # 15 TYR QB 16 ALA H &rst iat= -1,219, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 202,203, &end # # 15 TYR QD 16 ALA H &rst iat= -1,219, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 206,215, &end # # 15 TYR HA 33 GLY H &rst iat= 200,484, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 TYR QB 33 GLY H &rst iat= -1,484, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 202,203, &end # # 15 TYR QB 33 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 202,203, igr2= 486,487, &end # # 15 TYR HA 34 GLN H &rst iat= 200,491, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 TYR HA 34 GLN 1HE2 &rst iat= 200,503, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 TYR QD 34 GLN HA &rst iat= -1,493, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 206,215, &end # # 15 TYR H 35 VAL QG &rst iat= 198, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 514,515,516,518,519,520, &end # # 15 TYR HA 35 VAL HA &rst iat= 200,510, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 TYR HA 35 VAL QG &rst iat= 200, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 514,515,516,518,519,520, &end # # 15 TYR QB 35 VAL HA &rst iat= -1,510, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 202,203, &end # # 15 TYR QD 35 VAL H &rst iat= -1,508, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 206,215, &end # # 15 TYR QD 35 VAL HA &rst iat= -1,510, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 206,215, &end # # 15 TYR QD 35 VAL HB &rst iat= -1,512, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 206,215, &end # # 15 TYR QD 35 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.292, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 206,215, igr2= 514,515,516,518,519,520, &end # # 15 TYR QE 35 VAL H &rst iat= -1,508, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 208,213, &end # # 15 TYR QE 35 VAL HA &rst iat= -1,510, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 208,213, &end # # 15 TYR QE 35 VAL HB &rst iat= -1,512, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 208,213, &end # # 15 TYR QE 35 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9896, r4= 5.7456, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 208,213, igr2= 514,515,516,518,519,520, &end # # 15 TYR H 36 ARG H &rst iat= 198,524, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 TYR H 36 ARG QG &rst iat= 198, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 531,532, &end # # 15 TYR HA 36 ARG H &rst iat= 200,524, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 TYR QD 36 ARG H &rst iat= -1,524, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 206,215, &end # # 15 TYR H 85 LEU HG &rst iat= 198,1340, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 TYR H 85 LEU QD &rst iat= 198, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1342,1343,1344,1346,1347,1348, &end # # 15 TYR QB 85 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 202,203, igr2= 1342,1343,1344,1346,1347,1348, &end # # 15 TYR QD 85 LEU HA &rst iat= -1,1335, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 206,215, &end # # 15 TYR QD 85 LEU HG &rst iat= -1,1340, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 206,215, &end # # 15 TYR QD 85 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 206,215, igr2= 1342,1343,1344,1346,1347,1348, &end # # 15 TYR QE 85 LEU HA &rst iat= -1,1335, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 208,213, &end # # 15 TYR QE 85 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 208,213, igr2= 1337,1338, &end # # 15 TYR QE 85 LEU HG &rst iat= -1,1340, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 208,213, &end # # 15 TYR QE 85 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 208,213, igr2= 1342,1343,1344,1346,1347,1348, &end # # 15 TYR QD 86 ALA H &rst iat= -1,1352, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 206,215, &end # # 15 TYR QD 86 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 206,215, igr2= 1356,1357,1358, &end # # 15 TYR QE 86 ALA H &rst iat= -1,1352, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 208,213, &end # # 15 TYR QE 86 ALA HA &rst iat= -1,1354, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 208,213, &end # # 15 TYR QE 86 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 208,213, igr2= 1356,1357,1358, &end # # 15 TYR QE 89 ASP H &rst iat= -1,1391, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 208,213, &end # # 16 ALA H 16 ALA QB &rst iat= 219, -1, r1= 0, r2= 0, r3= 3.72, r4= 4.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 223,224,225, &end # # 16 ALA H 17 LYS HA &rst iat= 219,231, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 ALA QB 17 LYS HA &rst iat= -1,231, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225, &end # # 16 ALA QB 18 SER H &rst iat= -1,251, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225, &end # # 16 ALA H 30 ILE QG2 &rst iat= 219, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 434,435,436, &end # # 16 ALA HA 30 ILE QG2 &rst iat= 221, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 434,435,436, &end # # 16 ALA QB 30 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.752, r4= 5.472, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225, igr2= 434,435,436, &end # # 16 ALA QB 30 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225, igr2= 441,442,443, &end # # 16 ALA QB 31 GLU H &rst iat= -1,447, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225, &end # # 16 ALA H 32 LYS HA &rst iat= 219,464, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 ALA QB 32 LYS H &rst iat= -1,462, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225, &end # # 16 ALA QB 32 LYS HA &rst iat= -1,464, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225, &end # # 16 ALA QB 32 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225, igr2= 475,476, &end # # 16 ALA H 33 GLY H &rst iat= 219,484, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 ALA H 33 GLY QA &rst iat= 219, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 486,487, &end # # 16 ALA HA 33 GLY H &rst iat= 221,484, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 ALA QB 33 GLY H &rst iat= -1,484, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225, &end # # 16 ALA H 34 GLN H &rst iat= 219,491, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 ALA H 34 GLN HA &rst iat= 219,493, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 ALA H 34 GLN QB &rst iat= 219, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 495,496, &end # # 16 ALA H 34 GLN QG &rst iat= 219, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 498,499, &end # # 16 ALA HA 34 GLN 1HE2 &rst iat= 221,503, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 ALA QB 34 GLN H &rst iat= -1,491, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225, &end # # 16 ALA QB 34 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225, igr2= 495,496, &end # # 16 ALA QB 34 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225, igr2= 498,499, &end # # 16 ALA QB 34 GLN 1HE2 &rst iat= -1,503, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225, &end # # 16 ALA QB 34 GLN 2HE2 &rst iat= -1,504, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225, &end # # 16 ALA H 35 VAL H &rst iat= 219,508, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 ALA H 35 VAL HA &rst iat= 219,510, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 ALA H 35 VAL QG &rst iat= 219, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 514,515,516,518,519,520, &end # # 16 ALA QB 35 VAL H &rst iat= -1,508, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225, &end # # 16 ALA QB 35 VAL HA &rst iat= -1,510, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225, &end # # 16 ALA H 36 ARG HA &rst iat= 219,526, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 ALA H 36 ARG QG &rst iat= 219, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 531,532, &end # # 16 ALA H 36 ARG QD &rst iat= 219, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 534,535, &end # # 16 ALA HA 36 ARG QG &rst iat= 221, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 531,532, &end # # 16 ALA HA 36 ARG QD &rst iat= 221, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 534,535, &end # # 16 ALA QB 36 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 223,224,225, igr2= 534,535, &end # # 17 LYS HA 18 SER HA &rst iat= 231,253, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 LYS QB 18 SER H &rst iat= -1,251, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 233,234, &end # # 17 LYS QB 18 SER HA &rst iat= -1,253, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 233,234, &end # # 17 LYS HA 32 LYS QG &rst iat= 231, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 469,470, &end # # 17 LYS HA 32 LYS QD &rst iat= 231, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 472,473, &end # # 17 LYS HA 32 LYS QE &rst iat= 231, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 475,476, &end # # 17 LYS QB 32 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 233,234, igr2= 475,476, &end # # 18 SER H 20 ARG H &rst iat= 251,276, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 SER H 20 ARG QB &rst iat= 251, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 280,281, &end # # 18 SER HA 20 ARG H &rst iat= 253,276, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 SER HA 20 ARG QG &rst iat= 253, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 283,284, &end # # 18 SER QB 20 ARG H &rst iat= -1,276, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 255,256, &end # # 18 SER QB 20 ARG HA &rst iat= -1,278, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 255,256, &end # # 18 SER QB 20 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 255,256, igr2= 280,281, &end # # 18 SER QB 20 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 255,256, igr2= 283,284, &end # # 18 SER QB 20 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 255,256, igr2= 286,287, &end # # 18 SER H 30 ILE QG2 &rst iat= 251, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 434,435,436, &end # # 18 SER H 32 LYS HA &rst iat= 251,464, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 SER H 32 LYS QG &rst iat= 251, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 469,470, &end # # 18 SER H 32 LYS QE &rst iat= 251, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 475,476, &end # # 18 SER HA 32 LYS QB &rst iat= 253, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 466,467, &end # # 18 SER HA 32 LYS QG &rst iat= 253, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 469,470, &end # # 18 SER HA 32 LYS QE &rst iat= 253, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 475,476, &end # # 18 SER H 33 GLY H &rst iat= 251,484, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 ASN HA 19 ASN 1HD2 &rst iat= 264,271, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 ASN HA 19 ASN 2HD2 &rst iat= 264,272, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 ASN QB 20 ARG H &rst iat= -1,276, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 266,267, &end # # 19 ASN QB 20 ARG HA &rst iat= -1,278, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 266,267, &end # # 19 ASN QB 20 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 266,267, igr2= 283,284, &end # # 19 ASN HA 21 SER H &rst iat= 264,300, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 ASN HA 31 GLU H &rst iat= 264,447, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 ASN HA 31 GLU HA &rst iat= 264,449, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 ASN QB 31 GLU HA &rst iat= -1,449, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 266,267, &end # # 19 ASN 1HD2 31 GLU HA &rst iat= 271,449, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 ASN 2HD2 31 GLU HA &rst iat= 272,449, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 ASN 1HD2 31 GLU QB &rst iat= 271, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 451,452, &end # # 19 ASN 2HD2 31 GLU QG &rst iat= 272, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 454,455, &end # # 19 ASN HA 32 LYS H &rst iat= 264,462, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 ASN QB 32 LYS H &rst iat= -1,462, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 266,267, &end # # 19 ASN QB 32 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 266,267, igr2= 466,467, &end # # 19 ASN 1HD2 32 LYS H &rst iat= 271,462, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 ASN 2HD2 32 LYS H &rst iat= 272,462, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 ASN 2HD2 32 LYS HA &rst iat= 272,464, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 ASN 1HD2 32 LYS QB &rst iat= 271, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 466,467, &end # # 19 ASN 2HD2 32 LYS QB &rst iat= 272, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 466,467, &end # # 20 ARG H 20 ARG QB &rst iat= 276, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 280,281, &end # # 20 ARG H 20 ARG QG &rst iat= 276, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 283,284, &end # # 20 ARG H 20 ARG QD &rst iat= 276, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 286,287, &end # # 20 ARG HA 20 ARG QG &rst iat= 278, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 283,284, &end # # 20 ARG HA 20 ARG QD &rst iat= 278, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 286,287, &end # # 20 ARG QB 20 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 280,281, igr2= 286,287, &end # # 20 ARG H 21 SER H &rst iat= 276,300, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 20 ARG QB 21 SER H &rst iat= -1,300, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 280,281, &end # # 20 ARG QG 21 SER H &rst iat= -1,300, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 283,284, &end # # 20 ARG QD 21 SER H &rst iat= -1,300, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 286,287, &end # # 21 SER H 22 THR H &rst iat= 300,311, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 SER HA 22 THR H &rst iat= 302,311, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 SER QB 22 THR H &rst iat= -1,311, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 304,305, &end # # 21 SER H 30 ILE H &rst iat= 300,428, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 SER H 30 ILE HB &rst iat= 300,432, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 SER H 30 ILE QG2 &rst iat= 300, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 434,435,436, &end # # 21 SER H 30 ILE QD1 &rst iat= 300, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 441,442,443, &end # # 21 SER QB 30 ILE H &rst iat= -1,428, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 304,305, &end # # 21 SER QB 30 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 304,305, igr2= 434,435,436, &end # # 21 SER QB 30 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 304,305, igr2= 441,442,443, &end # # 21 SER QB 55 TRP HD1 &rst iat= -1,855, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 304,305, &end # # 21 SER QB 55 TRP HE1 &rst iat= -1,857, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 304,305, &end # # 21 SER QB 55 TRP HE3 &rst iat= -1,866, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 304,305, &end # # 22 THR H 22 THR HB &rst iat= 311,315, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 THR H 22 THR QG2 &rst iat= 311, -1, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 317,318,319, &end # # 22 THR HA 22 THR QG2 &rst iat= 313, -1, r1= 0, r2= 0, r3= 3.48, r4= 4.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 317,318,319, &end # # 22 THR H 23 CYS H &rst iat= 311,325, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 THR HA 23 CYS H &rst iat= 313,325, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 THR HA 23 CYS QB &rst iat= 313, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 330,329, &end # # 22 THR HB 23 CYS H &rst iat= 315,325, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 THR QG2 23 CYS H &rst iat= -1,325, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 317,318,319, &end # # 22 THR QG2 23 CYS HA &rst iat= -1,327, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 317,318,319, &end # # 22 THR QG2 23 CYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 317,318,319, igr2= 330,329, &end # # 22 THR H 24 LYS H &rst iat= 311,335, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 THR HB 24 LYS H &rst iat= 315,335, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 THR QG2 24 LYS H &rst iat= -1,335, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 317,318,319, &end # # 22 THR QG2 24 LYS HA &rst iat= -1,337, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 317,318,319, &end # # 22 THR QG2 26 CYS H &rst iat= -1,364, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 317,318,319, &end # # 22 THR HB 27 MET QE &rst iat= 315, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 385,386,387, &end # # 22 THR QG2 27 MET H &rst iat= -1,374, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 317,318,319, &end # # 22 THR QG2 27 MET QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 317,318,319, igr2= 378,379, &end # # 22 THR QG2 27 MET QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 317,318,319, igr2= 381,382, &end # # 22 THR QG2 27 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.608, r4= 5.328, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 317,318,319, igr2= 385,386,387, &end # # 22 THR HA 28 GLU H &rst iat= 313,391, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 THR QG2 28 GLU H &rst iat= -1,391, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 317,318,319, &end # # 22 THR QG2 28 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 317,318,319, igr2= 395,396, &end # # 22 THR HA 29 LYS H &rst iat= 313,406, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 THR HA 29 LYS QB &rst iat= 313, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 410,411, &end # # 22 THR HB 29 LYS HA &rst iat= 315,408, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 THR HB 29 LYS QB &rst iat= 315, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 410,411, &end # # 22 THR QG2 29 LYS H &rst iat= -1,406, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 317,318,319, &end # # 22 THR QG2 29 LYS HA &rst iat= -1,408, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 317,318,319, &end # # 22 THR QG2 29 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 317,318,319, igr2= 410,411, &end # # 22 THR H 30 ILE H &rst iat= 311,428, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 THR H 30 ILE HB &rst iat= 311,432, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 THR H 30 ILE QG2 &rst iat= 311, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 434,435,436, &end # # 22 THR H 30 ILE QD1 &rst iat= 311, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 441,442,443, &end # # 22 THR HA 30 ILE H &rst iat= 313,428, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 THR HA 30 ILE HB &rst iat= 313,432, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 THR HA 30 ILE QG1 &rst iat= 313, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 438,439, &end # # 22 THR HA 30 ILE QG2 &rst iat= 313, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 434,435,436, &end # # 22 THR HA 30 ILE QD1 &rst iat= 313, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 441,442,443, &end # # 22 THR HB 30 ILE H &rst iat= 315,428, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 THR QG2 30 ILE H &rst iat= -1,428, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 317,318,319, &end # # 22 THR H 55 TRP QB &rst iat= 311, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 851,852, &end # # 22 THR H 55 TRP HD1 &rst iat= 311,855, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 THR QG2 57 HIS HE1 &rst iat= -1,901, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 317,318,319, &end # # 23 CYS H 23 CYS QB &rst iat= 325, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 330,329, &end # # 23 CYS H 24 LYS H &rst iat= 325,335, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 CYS HA 24 LYS H &rst iat= 327,335, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 CYS QB 24 LYS H &rst iat= -1,335, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,329, &end # # 23 CYS H 25 GLY H &rst iat= 325,357, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 CYS HA 25 GLY H &rst iat= 327,357, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 CYS QB 25 GLY H &rst iat= -1,357, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,329, &end # # 23 CYS QB 26 CYS H &rst iat= -1,364, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,329, &end # # 23 CYS H 27 MET QE &rst iat= 325, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 385,386,387, &end # # 23 CYS QB 27 MET H &rst iat= -1,374, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,329, &end # # 23 CYS H 28 GLU H &rst iat= 325,391, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 CYS H 28 GLU HA &rst iat= 325,393, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 CYS H 28 GLU QB &rst iat= 325, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 395,396, &end # # 23 CYS HA 28 GLU H &rst iat= 327,391, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 CYS QB 28 GLU H &rst iat= -1,391, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,329, &end # # 23 CYS QB 28 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,329, igr2= 395,396, &end # # 23 CYS QB 28 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,329, igr2= 398,399, &end # # 23 CYS H 30 ILE H &rst iat= 325,428, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 CYS H 30 ILE HA &rst iat= 325,430, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 CYS H 30 ILE HB &rst iat= 325,432, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 CYS H 30 ILE QG1 &rst iat= 325, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 438,439, &end # # 23 CYS H 30 ILE QG2 &rst iat= 325, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 434,435,436, &end # # 23 CYS H 30 ILE QD1 &rst iat= 325, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 441,442,443, &end # # 23 CYS HA 30 ILE H &rst iat= 327,428, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 CYS HA 30 ILE QD1 &rst iat= 327, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 441,442,443, &end # # 23 CYS QB 30 ILE H &rst iat= -1,428, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,329, &end # # 23 CYS QB 30 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,329, igr2= 438,439, &end # # 23 CYS QB 30 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,329, igr2= 441,442,443, &end # # 23 CYS HA 55 TRP H &rst iat= 327,847, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 CYS H 56 TYR HA &rst iat= 325,873, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 CYS HA 56 TYR HA &rst iat= 327,873, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 CYS HA 56 TYR QD &rst iat= 327, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 879,888, &end # # 23 CYS QB 56 TYR HA &rst iat= -1,873, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,329, &end # # 23 CYS H 57 HIS H &rst iat= 325,892, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 CYS H 57 HIS HE1 &rst iat= 325,901, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 CYS HA 57 HIS H &rst iat= 327,892, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 CYS HA 57 HIS HE1 &rst iat= 327,901, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 CYS QB 57 HIS H &rst iat= -1,892, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,329, &end # # 23 CYS QB 57 HIS HA &rst iat= -1,894, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,329, &end # # 23 CYS QB 57 HIS HE1 &rst iat= -1,901, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 330,329, &end # # 24 LYS H 24 LYS QB &rst iat= 335, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 339,340, &end # # 24 LYS H 24 LYS QG &rst iat= 335, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 342,343, &end # # 24 LYS H 24 LYS QE &rst iat= 335, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 348,349, &end # # 24 LYS QB 24 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 339,340, igr2= 348,349, &end # # 24 LYS H 25 GLY H &rst iat= 335,357, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 LYS HA 25 GLY QA &rst iat= 337, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 359,360, &end # # 24 LYS QB 25 GLY H &rst iat= -1,357, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 339,340, &end # # 24 LYS QB 25 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 339,340, igr2= 359,360, &end # # 24 LYS QG 25 GLY H &rst iat= -1,357, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 342,343, &end # # 24 LYS H 26 CYS H &rst iat= 335,364, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 LYS HA 26 CYS H &rst iat= 337,364, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 LYS HA 27 MET H &rst iat= 337,374, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 LYS HA 27 MET QG &rst iat= 337, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 381,382, &end # # 24 LYS HA 27 MET QE &rst iat= 337, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 385,386,387, &end # # 24 LYS QB 27 MET H &rst iat= -1,374, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 339,340, &end # # 24 LYS QB 27 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 339,340, igr2= 385,386,387, &end # # 24 LYS QG 27 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 342,343, igr2= 385,386,387, &end # # 24 LYS H 30 ILE QD1 &rst iat= 335, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 441,442,443, &end # # 24 LYS H 54 ARG QB &rst iat= 335, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 827,828, &end # # 24 LYS QB 54 ARG HA &rst iat= -1,825, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 339,340, &end # # 24 LYS QB 54 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 339,340, igr2= 830,831, &end # # 24 LYS QG 54 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 342,343, igr2= 830,831, &end # # 24 LYS QG 54 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 342,343, igr2= 833,834, &end # # 24 LYS QE 54 ARG HA &rst iat= -1,825, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 348,349, &end # # 24 LYS H 55 TRP H &rst iat= 335,847, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 LYS H 55 TRP HA &rst iat= 335,849, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 LYS H 55 TRP QB &rst iat= 335, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 851,852, &end # # 24 LYS QB 55 TRP H &rst iat= -1,847, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 339,340, &end # # 24 LYS QG 55 TRP H &rst iat= -1,847, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 342,343, &end # # 24 LYS QE 55 TRP HD1 &rst iat= -1,855, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 348,349, &end # # 24 LYS H 56 TYR H &rst iat= 335,871, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 LYS H 56 TYR HA &rst iat= 335,873, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 LYS H 56 TYR QD &rst iat= 335, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 879,888, &end # # 24 LYS H 56 TYR QE &rst iat= 335, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 881,886, &end # # 24 LYS HA 56 TYR QD &rst iat= 337, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 879,888, &end # # 24 LYS HA 56 TYR QE &rst iat= 337, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 881,886, &end # # 24 LYS QB 56 TYR H &rst iat= -1,871, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 339,340, &end # # 24 LYS QB 56 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 339,340, igr2= 881,886, &end # # 24 LYS QG 56 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 342,343, igr2= 879,888, &end # # 24 LYS H 57 HIS H &rst iat= 335,892, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 GLY H 26 CYS H &rst iat= 357,364, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 GLY H 26 CYS HA &rst iat= 357,366, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 GLY QA 26 CYS HA &rst iat= -1,366, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 359,360, &end # # 25 GLY H 27 MET H &rst iat= 357,374, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 GLY H 27 MET QE &rst iat= 357, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 385,386,387, &end # # 25 GLY QA 27 MET H &rst iat= -1,374, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 359,360, &end # # 25 GLY H 28 GLU H &rst iat= 357,391, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 GLY H 54 ARG QG &rst iat= 357, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 830,831, &end # # 25 GLY H 56 TYR H &rst iat= 357,871, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 GLY H 56 TYR HA &rst iat= 357,873, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 GLY H 56 TYR QB &rst iat= 357, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 875,876, &end # # 25 GLY H 56 TYR QD &rst iat= 357, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 879,888, &end # # 25 GLY H 56 TYR QE &rst iat= 357, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 881,886, &end # # 25 GLY QA 56 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 359,360, igr2= 879,888, &end # # 25 GLY QA 56 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 359,360, igr2= 881,886, &end # # 25 GLY H 57 HIS H &rst iat= 357,892, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 GLY QA 57 HIS H &rst iat= -1,892, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 359,360, &end # # 25 GLY H 60 CYS QB &rst iat= 357, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 935,934, &end # # 25 GLY QA 60 CYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 359,360, igr2= 935,934, &end # # 25 GLY H 64 ASN 2HD2 &rst iat= 357,1008, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 GLY QA 64 ASN 2HD2 &rst iat= -1,1008, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 359,360, &end # # 25 GLY H 68 LEU QD &rst iat= 357, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1075,1076,1077,1079,1080,1081, &end # # 25 GLY QA 68 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 359,360, igr2= 1075,1076,1077,1079,1080,1081, &end # # 26 CYS H 27 MET H &rst iat= 364,374, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 CYS H 27 MET QE &rst iat= 364, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 385,386,387, &end # # 26 CYS HA 27 MET HA &rst iat= 366,376, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 CYS QB 27 MET H &rst iat= -1,374, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 369,368, &end # # 26 CYS H 28 GLU H &rst iat= 364,391, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 CYS H 28 GLU QG &rst iat= 364, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 398,399, &end # # 26 CYS HA 28 GLU H &rst iat= 366,391, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 CYS QB 28 GLU H &rst iat= -1,391, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 369,368, &end # # 26 CYS QB 28 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 369,368, igr2= 395,396, &end # # 26 CYS QB 28 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 369,368, igr2= 398,399, &end # # 26 CYS H 56 TYR HA &rst iat= 364,873, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 CYS H 56 TYR QD &rst iat= 364, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 879,888, &end # # 26 CYS H 57 HIS H &rst iat= 364,892, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 CYS H 60 CYS QB &rst iat= 364, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 935,934, &end # # 26 CYS HA 60 CYS QB &rst iat= 366, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 935,934, &end # # 26 CYS QB 63 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 369,368, igr2= 989,990, &end # # 26 CYS H 64 ASN 2HD2 &rst iat= 364,1008, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 MET H 27 MET QB &rst iat= 374, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 378,379, &end # # 27 MET H 27 MET QE &rst iat= 374, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 385,386,387, &end # # 27 MET HA 27 MET QG &rst iat= 376, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 381,382, &end # # 27 MET HA 27 MET QE &rst iat= 376, -1, r1= 0, r2= 0, r3= 4.08, r4= 4.68, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 385,386,387, &end # # 27 MET QB 27 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3008, r4= 4.9728, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 378,379, igr2= 385,386,387, &end # # 27 MET QG 27 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.4352, r4= 5.1072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 381,382, igr2= 385,386,387, &end # # 27 MET H 28 GLU H &rst iat= 374,391, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 MET H 28 GLU HA &rst iat= 374,393, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 MET QG 28 GLU H &rst iat= -1,391, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 381,382, &end # # 28 GLU H 28 GLU QB &rst iat= 391, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 395,396, &end # # 28 GLU H 28 GLU QG &rst iat= 391, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 398,399, &end # # 28 GLU H 29 LYS H &rst iat= 391,406, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 28 GLU HA 29 LYS H &rst iat= 393,406, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 28 GLU HA 29 LYS QG &rst iat= 393, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 413,414, &end # # 28 GLU QG 29 LYS H &rst iat= -1,406, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 398,399, &end # # 28 GLU H 30 ILE QD1 &rst iat= 391, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 441,442,443, &end # # 28 GLU H 57 HIS HE1 &rst iat= 391,901, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 28 GLU QG 57 HIS HE1 &rst iat= -1,901, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 398,399, &end # # 29 LYS H 29 LYS QB &rst iat= 406, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 410,411, &end # # 29 LYS H 29 LYS QG &rst iat= 406, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 413,414, &end # # 29 LYS HA 29 LYS QG &rst iat= 408, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 413,414, &end # # 29 LYS H 30 ILE H &rst iat= 406,428, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 29 LYS H 30 ILE HA &rst iat= 406,430, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 29 LYS H 30 ILE QG1 &rst iat= 406, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 438,439, &end # # 29 LYS HA 30 ILE HB &rst iat= 408,432, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 29 LYS HA 30 ILE QD1 &rst iat= 408, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 441,442,443, &end # # 29 LYS QB 30 ILE H &rst iat= -1,428, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 410,411, &end # # 29 LYS QB 30 ILE HB &rst iat= -1,432, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 410,411, &end # # 29 LYS QG 30 ILE H &rst iat= -1,428, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 413,414, &end # # 29 LYS H 57 HIS HE1 &rst iat= 406,901, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 29 LYS HA 57 HIS HE1 &rst iat= 408,901, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 30 ILE H 30 ILE HB &rst iat= 428,432, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 30 ILE H 30 ILE QG1 &rst iat= 428, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 438,439, &end # # 30 ILE H 30 ILE QG2 &rst iat= 428, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 434,435,436, &end # # 30 ILE H 30 ILE QD1 &rst iat= 428, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 441,442,443, &end # # 30 ILE HA 30 ILE QG2 &rst iat= 430, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 434,435,436, &end # # 30 ILE HA 30 ILE QD1 &rst iat= 430, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 441,442,443, &end # # 30 ILE QG2 30 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 434,435,436, igr2= 438,439, &end # # 30 ILE QG2 30 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.896, r4= 5.616, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 434,435,436, igr2= 441,442,443, &end # # 30 ILE H 31 GLU H &rst iat= 428,447, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 30 ILE HA 31 GLU H &rst iat= 430,447, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 30 ILE HA 31 GLU QB &rst iat= 430, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 451,452, &end # # 30 ILE HA 31 GLU QG &rst iat= 430, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 454,455, &end # # 30 ILE HB 31 GLU H &rst iat= 432,447, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 30 ILE QG1 31 GLU H &rst iat= -1,447, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 438,439, &end # # 30 ILE QG2 31 GLU H &rst iat= -1,447, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 434,435,436, &end # # 30 ILE QG2 31 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 434,435,436, igr2= 454,455, &end # # 30 ILE QD1 31 GLU H &rst iat= -1,447, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 441,442,443, &end # # 30 ILE QG2 32 LYS H &rst iat= -1,462, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 434,435,436, &end # # 30 ILE QG2 33 GLY H &rst iat= -1,484, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 434,435,436, &end # # 30 ILE HB 34 GLN 1HE2 &rst iat= 432,503, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 30 ILE QG2 34 GLN H &rst iat= -1,491, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 434,435,436, &end # # 30 ILE QG2 34 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 434,435,436, igr2= 495,496, &end # # 30 ILE QG2 34 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 434,435,436, igr2= 498,499, &end # # 30 ILE QG2 34 GLN 1HE2 &rst iat= -1,503, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 434,435,436, &end # # 30 ILE QG2 34 GLN 2HE2 &rst iat= -1,504, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 434,435,436, &end # # 30 ILE QD1 34 GLN 2HE2 &rst iat= -1,504, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 441,442,443, &end # # 30 ILE QG2 36 ARG HA &rst iat= -1,526, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 434,435,436, &end # # 30 ILE QG2 36 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 434,435,436, igr2= 528,529, &end # # 30 ILE QG2 36 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 434,435,436, igr2= 534,535, &end # # 30 ILE QD1 36 ARG HA &rst iat= -1,526, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 441,442,443, &end # # 30 ILE QD1 36 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 441,442,443, igr2= 528,529, &end # # 30 ILE QD1 36 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 441,442,443, igr2= 534,535, &end # # 30 ILE QG2 55 TRP HE3 &rst iat= -1,866, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 434,435,436, &end # # 30 ILE QD1 55 TRP H &rst iat= -1,847, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 441,442,443, &end # # 30 ILE QD1 55 TRP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 441,442,443, igr2= 851,852, &end # # 30 ILE QD1 55 TRP HD1 &rst iat= -1,855, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 441,442,443, &end # # 30 ILE QD1 55 TRP HE3 &rst iat= -1,866, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 441,442,443, &end # # 30 ILE QD1 56 TYR H &rst iat= -1,871, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 441,442,443, &end # # 30 ILE QD1 56 TYR HA &rst iat= -1,873, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 441,442,443, &end # # 30 ILE HA 57 HIS HD2 &rst iat= 430,905, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 30 ILE HA 57 HIS HE1 &rst iat= 430,901, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 30 ILE QG1 57 HIS H &rst iat= -1,892, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 438,439, &end # # 30 ILE QG1 57 HIS HD2 &rst iat= -1,905, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 438,439, &end # # 30 ILE QG2 57 HIS HD2 &rst iat= -1,905, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 434,435,436, &end # # 30 ILE QG1 57 HIS HE1 &rst iat= -1,901, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 438,439, &end # # 30 ILE QG2 57 HIS HE1 &rst iat= -1,901, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 434,435,436, &end # # 30 ILE QD1 57 HIS H &rst iat= -1,892, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 441,442,443, &end # # 30 ILE QD1 57 HIS HA &rst iat= -1,894, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 441,442,443, &end # # 30 ILE QD1 57 HIS HD2 &rst iat= -1,905, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 441,442,443, &end # # 30 ILE QD1 57 HIS HE1 &rst iat= -1,901, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 441,442,443, &end # # 31 GLU H 31 GLU QB &rst iat= 447, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 451,452, &end # # 31 GLU H 31 GLU QG &rst iat= 447, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 454,455, &end # # 31 GLU HA 31 GLU QG &rst iat= 449, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 454,455, &end # # 31 GLU H 32 LYS H &rst iat= 447,462, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 31 GLU HA 32 LYS H &rst iat= 449,462, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 31 GLU HA 32 LYS HA &rst iat= 449,464, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 31 GLU QB 32 LYS H &rst iat= -1,462, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 451,452, &end # # 31 GLU QG 32 LYS H &rst iat= -1,462, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 454,455, &end # # 31 GLU H 34 GLN QG &rst iat= 447, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 498,499, &end # # 31 GLU H 34 GLN 1HE2 &rst iat= 447,503, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 31 GLU H 34 GLN 2HE2 &rst iat= 447,504, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 31 GLU QB 34 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 451,452, igr2= 498,499, &end # # 31 GLU QB 34 GLN 1HE2 &rst iat= -1,503, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 451,452, &end # # 31 GLU QG 34 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 454,455, igr2= 498,499, &end # # 31 GLU H 57 HIS HE1 &rst iat= 447,901, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 32 LYS H 32 LYS QB &rst iat= 462, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 466,467, &end # # 32 LYS H 32 LYS QG &rst iat= 462, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 469,470, &end # # 32 LYS H 32 LYS QD &rst iat= 462, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 472,473, &end # # 32 LYS HA 32 LYS QG &rst iat= 464, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 469,470, &end # # 32 LYS HA 32 LYS QD &rst iat= 464, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 472,473, &end # # 32 LYS HA 32 LYS QE &rst iat= 464, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 475,476, &end # # 32 LYS QB 32 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 466,467, igr2= 475,476, &end # # 32 LYS QG 32 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 469,470, igr2= 475,476, &end # # 32 LYS QD 32 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 472,473, igr2= 475,476, &end # # 32 LYS H 33 GLY H &rst iat= 462,484, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 32 LYS HA 33 GLY H &rst iat= 464,484, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 32 LYS HA 33 GLY QA &rst iat= 464, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 486,487, &end # # 32 LYS QB 33 GLY H &rst iat= -1,484, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 466,467, &end # # 32 LYS QG 33 GLY H &rst iat= -1,484, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 469,470, &end # # 32 LYS QD 33 GLY H &rst iat= -1,484, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 472,473, &end # # 32 LYS QD 33 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 472,473, igr2= 486,487, &end # # 32 LYS QE 33 GLY H &rst iat= -1,484, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 475,476, &end # # 32 LYS H 34 GLN QG &rst iat= 462, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 498,499, &end # # 32 LYS HA 34 GLN H &rst iat= 464,491, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 33 GLY H 34 GLN H &rst iat= 484,491, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 33 GLY H 34 GLN HA &rst iat= 484,493, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 33 GLY QA 34 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 486,487, igr2= 498,499, &end # # 34 GLN H 34 GLN QB &rst iat= 491, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 495,496, &end # # 34 GLN H 34 GLN QG &rst iat= 491, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 498,499, &end # # 34 GLN H 34 GLN 1HE2 &rst iat= 491,503, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 GLN H 34 GLN 2HE2 &rst iat= 491,504, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 GLN HA 34 GLN QG &rst iat= 493, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 498,499, &end # # 34 GLN HA 34 GLN 1HE2 &rst iat= 493,503, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 GLN HA 34 GLN 2HE2 &rst iat= 493,504, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 GLN QG 34 GLN 1HE2 &rst iat= -1,503, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 498,499, &end # # 34 GLN H 35 VAL H &rst iat= 491,508, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 GLN H 35 VAL QG &rst iat= 491, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 514,515,516,518,519,520, &end # # 34 GLN HA 35 VAL H &rst iat= 493,508, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 GLN HA 35 VAL HA &rst iat= 493,510, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 GLN HA 35 VAL HB &rst iat= 493,512, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 GLN HA 35 VAL QG &rst iat= 493, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 514,515,516,518,519,520, &end # # 34 GLN QB 35 VAL H &rst iat= -1,508, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 495,496, &end # # 34 GLN 2HE2 35 VAL QG &rst iat= 504, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 514,515,516,518,519,520, &end # # 34 GLN 1HE2 36 ARG QB &rst iat= 503, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 528,529, &end # # 34 GLN 2HE2 36 ARG QB &rst iat= 504, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 528,529, &end # # 34 GLN 2HE2 36 ARG QD &rst iat= 504, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 534,535, &end # # 34 GLN QG 57 HIS HD2 &rst iat= -1,905, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 498,499, &end # # 34 GLN 2HE2 57 HIS HA &rst iat= 504,894, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 GLN 2HE2 57 HIS HD2 &rst iat= 504,905, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 35 VAL H 35 VAL HB &rst iat= 508,512, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 35 VAL H 35 VAL QG &rst iat= 508, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 514,515,516,518,519,520, &end # # 35 VAL HA 35 VAL QG &rst iat= 510, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 514,515,516,518,519,520, &end # # 35 VAL HA 36 ARG H &rst iat= 510,524, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 35 VAL HA 36 ARG QG &rst iat= 510, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 531,532, &end # # 35 VAL QG 36 ARG H &rst iat= -1,524, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 514,515,516,518,519,520, &end # # 35 VAL QG 36 ARG HA &rst iat= -1,526, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 514,515,516,518,519,520, &end # # 35 VAL QG 37 LEU H &rst iat= -1,548, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 514,515,516,518,519,520, &end # # 35 VAL QG 37 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 514,515,516,518,519,520, igr2= 552,553, &end # # 35 VAL QG 37 LEU HG &rst iat= -1,555, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 514,515,516,518,519,520, &end # # 35 VAL QG 37 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4675, r4= 6.37875, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 514,515,516,518,519,520, igr2= 557,558,559,561,562,563, &end # # 35 VAL QG 58 PRO QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 514,515,516,518,519,520, igr2= 916,917, &end # # 35 VAL QG 58 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 514,515,516,518,519,520, igr2= 913,914, &end # # 35 VAL QG 58 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 514,515,516,518,519,520, igr2= 910,911, &end # # 35 VAL H 85 LEU QD &rst iat= 508, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1342,1343,1344,1346,1347,1348, &end # # 35 VAL HA 85 LEU QD &rst iat= 510, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1342,1343,1344,1346,1347,1348, &end # # 35 VAL QG 85 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.561, r4= 7.47225, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 514,515,516,518,519,520, igr2= 1342,1343,1344,1346,1347,1348, &end # # 35 VAL QG 86 ALA H &rst iat= -1,1352, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 514,515,516,518,519,520, &end # # 35 VAL QG 86 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.614, r4= 8.424, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 514,515,516,518,519,520, igr2= 1356,1357,1358, &end # # 35 VAL QG 89 ASP H &rst iat= -1,1391, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 514,515,516,518,519,520, &end # # 35 VAL QG 89 ASP HA &rst iat= -1,1393, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 514,515,516,518,519,520, &end # # 35 VAL QG 89 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 514,515,516,518,519,520, igr2= 1395,1396, &end # # 35 VAL QG 92 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.91, r4= 9.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 514,515,516,518,519,520, igr2= 1444,1445,1446, &end # # 35 VAL H 93 LEU QD &rst iat= 508, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1459,1460,1461,1463,1464,1465, &end # # 35 VAL QG 93 LEU H &rst iat= -1,1450, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 514,515,516,518,519,520, &end # # 35 VAL QG 93 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4675, r4= 6.37875, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 514,515,516,518,519,520, igr2= 1459,1460,1461,1463,1464,1465, &end # # 36 ARG H 36 ARG QG &rst iat= 524, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 531,532, &end # # 36 ARG H 36 ARG QD &rst iat= 524, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 534,535, &end # # 36 ARG QB 36 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 528,529, igr2= 531,532, &end # # 36 ARG H 37 LEU QD &rst iat= 524, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 557,558,559,561,562,563, &end # # 36 ARG HA 37 LEU H &rst iat= 526,548, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 ARG HA 37 LEU QD &rst iat= 526, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 557,558,559,561,562,563, &end # # 36 ARG QB 37 LEU H &rst iat= -1,548, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 528,529, &end # # 36 ARG HA 55 TRP HE3 &rst iat= 526,866, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 ARG QB 55 TRP HZ3 &rst iat= -1,864, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 528,529, &end # # 36 ARG QG 55 TRP HE3 &rst iat= -1,866, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 531,532, &end # # 36 ARG QG 55 TRP HZ3 &rst iat= -1,864, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 531,532, &end # # 36 ARG QG 55 TRP HH2 &rst iat= -1,862, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 531,532, &end # # 36 ARG QD 55 TRP HE3 &rst iat= -1,866, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 534,535, &end # # 36 ARG HA 57 HIS HA &rst iat= 526,894, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 ARG HA 57 HIS HD2 &rst iat= 526,905, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 ARG QB 57 HIS HD2 &rst iat= -1,905, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 528,529, &end # # 36 ARG HA 58 PRO QG &rst iat= 526, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 913,914, &end # # 36 ARG HA 58 PRO QD &rst iat= 526, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 910,911, &end # # 36 ARG H 85 LEU QD &rst iat= 524, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1342,1343,1344,1346,1347,1348, &end # # 37 LEU H 37 LEU HG &rst iat= 548,555, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 LEU H 37 LEU QD &rst iat= 548, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 557,558,559,561,562,563, &end # # 37 LEU HA 37 LEU QD &rst iat= 550, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 557,558,559,561,562,563, &end # # 37 LEU QB 37 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.292, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 552,553, igr2= 557,558,559,561,562,563, &end # # 37 LEU H 38 SER H &rst iat= 548,567, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 LEU HA 38 SER H &rst iat= 550,567, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 LEU QB 38 SER H &rst iat= -1,567, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 552,553, &end # # 37 LEU QD 38 SER H &rst iat= -1,567, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, &end # # 37 LEU H 55 TRP QB &rst iat= 548, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 851,852, &end # # 37 LEU H 55 TRP HE3 &rst iat= 548,866, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 LEU H 55 TRP HZ3 &rst iat= 548,864, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 LEU HA 55 TRP HE3 &rst iat= 550,866, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 LEU HA 55 TRP HZ3 &rst iat= 550,864, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 LEU QD 55 TRP HZ3 &rst iat= -1,864, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, &end # # 37 LEU H 56 TYR H &rst iat= 548,871, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 LEU H 56 TYR QB &rst iat= 548, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 875,876, &end # # 37 LEU QB 56 TYR H &rst iat= -1,871, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 552,553, &end # # 37 LEU H 57 HIS H &rst iat= 548,892, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 LEU H 57 HIS HA &rst iat= 548,894, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 LEU QB 57 HIS H &rst iat= -1,892, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 552,553, &end # # 37 LEU QD 57 HIS H &rst iat= -1,892, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, &end # # 37 LEU H 58 PRO HA &rst iat= 548,919, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 LEU H 58 PRO QD &rst iat= 548, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 910,911, &end # # 37 LEU HG 58 PRO HA &rst iat= 555,919, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 LEU QD 58 PRO HA &rst iat= -1,919, r1= 0, r2= 0, r3= 4.32, r4= 4.995, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, &end # # 37 LEU QD 58 PRO QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, igr2= 916,917, &end # # 37 LEU QD 58 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, igr2= 913,914, &end # # 37 LEU QD 58 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, igr2= 910,911, &end # # 37 LEU QD 59 GLY H &rst iat= -1,923, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, &end # # 37 LEU QD 60 CYS H &rst iat= -1,930, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, &end # # 37 LEU H 61 PHE QB &rst iat= 548, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 944,945, &end # # 37 LEU H 61 PHE QD &rst iat= 548, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 948,956, &end # # 37 LEU QB 61 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 552,553, igr2= 948,956, &end # # 37 LEU HG 61 PHE QD &rst iat= 555, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 948,956, &end # # 37 LEU HG 61 PHE QE &rst iat= 555, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 950,954, &end # # 37 LEU QD 61 PHE H &rst iat= -1,940, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, &end # # 37 LEU QD 61 PHE HA &rst iat= -1,942, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, &end # # 37 LEU QD 61 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, igr2= 944,945, &end # # 37 LEU QD 61 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, igr2= 948,956, &end # # 37 LEU QD 61 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, igr2= 950,954, &end # # 37 LEU QD 62 VAL H &rst iat= -1,960, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, &end # # 37 LEU QD 62 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.56575, r4= 9.477, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, igr2= 966,967,968,970,971,972, &end # # 37 LEU QD 76 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.938, r4= 8.748, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, igr2= 1201,1202,1203, &end # # 37 LEU HA 79 LEU QD &rst iat= 550, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1244,1245,1246,1248,1249,1250, &end # # 37 LEU QB 79 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 552,553, igr2= 1239,1240, &end # # 37 LEU HG 79 LEU HG &rst iat= 555,1242, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 LEU QD 79 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, igr2= 1239,1240, &end # # 37 LEU QD 79 LEU HG &rst iat= -1,1242, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, &end # # 37 LEU QD 79 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.561, r4= 7.47225, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, igr2= 1244,1245,1246,1248,1249,1250, &end # # 37 LEU QD 93 LEU HA &rst iat= -1,1452, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, &end # # 37 LEU QD 93 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1965, r4= 7.10775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 557,558,559,561,562,563, igr2= 1459,1460,1461,1463,1464,1465, &end # # 38 SER H 38 SER QB &rst iat= 567, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 571,572, &end # # 38 SER H 39 LYS H &rst iat= 567,578, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 SER HA 39 LYS H &rst iat= 569,578, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 SER HA 39 LYS QB &rst iat= 569, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 582,583, &end # # 38 SER QB 39 LYS H &rst iat= -1,578, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 571,572, &end # # 38 SER QB 39 LYS HA &rst iat= -1,580, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 571,572, &end # # 38 SER HA 53 ASP HA &rst iat= 569,813, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 SER QB 53 ASP HA &rst iat= -1,813, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 571,572, &end # # 38 SER QB 53 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 571,572, igr2= 815,816, &end # # 38 SER HA 54 ARG H &rst iat= 569,823, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 SER HA 54 ARG QB &rst iat= 569, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 827,828, &end # # 38 SER QB 54 ARG H &rst iat= -1,823, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 571,572, &end # # 38 SER H 55 TRP HA &rst iat= 567,849, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 SER H 55 TRP HE3 &rst iat= 567,866, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 SER H 55 TRP HZ3 &rst iat= 567,864, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 SER HA 55 TRP H &rst iat= 569,847, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 SER HA 55 TRP HA &rst iat= 569,849, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 SER HA 55 TRP HE3 &rst iat= 569,866, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 SER QB 55 TRP H &rst iat= -1,847, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 571,572, &end # # 38 SER QB 55 TRP HA &rst iat= -1,849, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 571,572, &end # # 38 SER QB 55 TRP HD1 &rst iat= -1,855, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 571,572, &end # # 38 SER QB 55 TRP HE1 &rst iat= -1,857, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 571,572, &end # # 38 SER QB 55 TRP HE3 &rst iat= -1,866, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 571,572, &end # # 38 SER QB 55 TRP HZ2 &rst iat= -1,860, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 571,572, &end # # 38 SER QB 55 TRP HZ3 &rst iat= -1,864, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 571,572, &end # # 38 SER H 56 TYR H &rst iat= 567,871, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 SER HA 56 TYR H &rst iat= 569,871, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 SER QB 56 TYR H &rst iat= -1,871, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 571,572, &end # # 38 SER H 79 LEU QD &rst iat= 567, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1244,1245,1246,1248,1249,1250, &end # # 39 LYS H 39 LYS QG &rst iat= 578, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 585,586, &end # # 39 LYS HA 39 LYS QD &rst iat= 580, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 588,589, &end # # 39 LYS QB 39 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.38688, r4= 4.01408, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583, igr2= 588,589, &end # # 39 LYS QB 39 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 582,583, igr2= 591,592, &end # # 39 LYS QG 39 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 585,586, igr2= 591,592, &end # # 39 LYS H 40 LYS H &rst iat= 578,600, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 LYS HA 40 LYS H &rst iat= 580,600, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 LYS HA 40 LYS QB &rst iat= 580, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 604,605, &end # # 39 LYS QG 40 LYS H &rst iat= -1,600, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 585,586, &end # # 39 LYS QG 40 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 585,586, igr2= 604,605, &end # # 39 LYS QD 40 LYS H &rst iat= -1,600, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 588,589, &end # # 39 LYS QE 40 LYS H &rst iat= -1,600, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 591,592, &end # # 39 LYS H 41 MET QG &rst iat= 578, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 629,630, &end # # 39 LYS QG 41 MET H &rst iat= -1,622, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 585,586, &end # # 39 LYS QG 41 MET QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 585,586, igr2= 626,627, &end # # 39 LYS QG 41 MET QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 585,586, igr2= 629,630, &end # # 39 LYS QG 41 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 585,586, igr2= 633,634,635, &end # # 39 LYS QE 41 MET QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 591,592, igr2= 626,627, &end # # 39 LYS QE 41 MET QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 591,592, igr2= 629,630, &end # # 39 LYS QE 41 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 591,592, igr2= 633,634,635, &end # # 39 LYS H 53 ASP HA &rst iat= 578,813, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 LYS H 53 ASP QB &rst iat= 578, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 815,816, &end # # 39 LYS H 54 ARG H &rst iat= 578,823, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 LYS H 54 ARG HA &rst iat= 578,825, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 LYS H 54 ARG QB &rst iat= 578, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 827,828, &end # # 39 LYS H 54 ARG QG &rst iat= 578, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 830,831, &end # # 39 LYS HA 54 ARG H &rst iat= 580,823, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 LYS QG 54 ARG H &rst iat= -1,823, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 585,586, &end # # 39 LYS H 55 TRP H &rst iat= 578,847, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 LYS H 55 TRP HA &rst iat= 578,849, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 LYS H 56 TYR H &rst iat= 578,871, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 LYS H 56 TYR QD &rst iat= 578, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 879,888, &end # # 39 LYS QG 68 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 585,586, igr2= 1075,1076,1077,1079,1080,1081, &end # # 39 LYS QD 68 LEU HA &rst iat= -1,1068, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 588,589, &end # # 39 LYS QD 68 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 588,589, igr2= 1075,1076,1077,1079,1080,1081, &end # # 39 LYS QE 68 LEU HA &rst iat= -1,1068, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 591,592, &end # # 39 LYS QE 68 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 591,592, igr2= 1075,1076,1077,1079,1080,1081, &end # # 39 LYS QE 69 GLY H &rst iat= -1,1085, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 591,592, &end # # 40 LYS H 40 LYS QB &rst iat= 600, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 604,605, &end # # 40 LYS H 40 LYS QD &rst iat= 600, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 610,611, &end # # 40 LYS H 40 LYS QE &rst iat= 600, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 613,614, &end # # 40 LYS QB 40 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.88864, r4= 4.51584, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605, igr2= 613,614, &end # # 40 LYS QG 40 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 607,608, igr2= 610,611, &end # # 40 LYS QG 40 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 607,608, igr2= 613,614, &end # # 40 LYS H 41 MET H &rst iat= 600,622, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 40 LYS QB 41 MET H &rst iat= -1,622, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605, &end # # 40 LYS QB 41 MET HA &rst iat= -1,624, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605, &end # # 40 LYS QG 41 MET H &rst iat= -1,622, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 607,608, &end # # 40 LYS QD 41 MET H &rst iat= -1,622, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 610,611, &end # # 40 LYS QE 41 MET H &rst iat= -1,622, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 613,614, &end # # 40 LYS QE 41 MET HA &rst iat= -1,624, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 613,614, &end # # 40 LYS QB 51 MET QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605, igr2= 779,780, &end # # 40 LYS QB 51 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605, igr2= 786,787,788, &end # # 40 LYS QG 51 MET H &rst iat= -1,775, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 607,608, &end # # 40 LYS QG 51 MET QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 607,608, igr2= 779,780, &end # # 40 LYS QG 51 MET QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 607,608, igr2= 782,783, &end # # 40 LYS QD 51 MET QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 610,611, igr2= 779,780, &end # # 40 LYS QD 51 MET QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 610,611, igr2= 782,783, &end # # 40 LYS QD 51 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.4352, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 610,611, igr2= 786,787,788, &end # # 40 LYS QE 51 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 613,614, igr2= 786,787,788, &end # # 40 LYS QG 52 ILE H &rst iat= -1,792, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 607,608, &end # # 40 LYS QD 52 ILE H &rst iat= -1,792, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 610,611, &end # # 40 LYS H 53 ASP HA &rst iat= 600,813, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 40 LYS QG 53 ASP HA &rst iat= -1,813, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 607,608, &end # # 40 LYS H 54 ARG H &rst iat= 600,823, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 MET H 41 MET QB &rst iat= 622, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 626,627, &end # # 41 MET H 41 MET QG &rst iat= 622, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 629,630, &end # # 41 MET QG 41 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3008, r4= 4.9728, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 629,630, igr2= 633,634,635, &end # # 41 MET H 42 VAL H &rst iat= 622,639, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 MET H 42 VAL HA &rst iat= 622,641, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 MET HA 42 VAL H &rst iat= 624,639, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 MET HA 42 VAL HA &rst iat= 624,641, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 MET HA 42 VAL HB &rst iat= 624,643, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 MET HA 42 VAL QG &rst iat= 624, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 645,646,647,649,650,651, &end # # 41 MET QB 42 VAL H &rst iat= -1,639, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 626,627, &end # # 41 MET QG 42 VAL H &rst iat= -1,639, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 629,630, &end # # 41 MET QG 42 VAL HA &rst iat= -1,641, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 629,630, &end # # 41 MET QG 43 ASP H &rst iat= -1,655, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 629,630, &end # # 41 MET QE 43 ASP HA &rst iat= -1,657, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635, &end # # 41 MET QE 44 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635, igr2= 668,669, &end # # 41 MET H 51 MET HA &rst iat= 622,777, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 MET H 51 MET QE &rst iat= 622, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 786,787,788, &end # # 41 MET HA 51 MET HA &rst iat= 624,777, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 MET HA 51 MET QG &rst iat= 624, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 782,783, &end # # 41 MET HA 51 MET QE &rst iat= 624, -1, r1= 0, r2= 0, r3= 3.6, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 786,787,788, &end # # 41 MET H 52 ILE H &rst iat= 622,792, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 MET H 52 ILE HA &rst iat= 622,794, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 MET H 52 ILE QG1 &rst iat= 622, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 802,803, &end # # 41 MET H 52 ILE QD1 &rst iat= 622, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 805,806,807, &end # # 41 MET HA 52 ILE H &rst iat= 624,792, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 MET QG 52 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 629,630, igr2= 805,806,807, &end # # 41 MET QE 52 ILE H &rst iat= -1,792, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635, &end # # 41 MET QE 52 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635, igr2= 805,806,807, &end # # 41 MET H 53 ASP H &rst iat= 622,811, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 MET H 53 ASP HA &rst iat= 622,813, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 MET H 54 ARG H &rst iat= 622,823, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 MET H 54 ARG QB &rst iat= 622, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 827,828, &end # # 41 MET H 54 ARG QD &rst iat= 622, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 833,834, &end # # 41 MET QG 54 ARG H &rst iat= -1,823, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 629,630, &end # # 41 MET QG 54 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 629,630, igr2= 827,828, &end # # 41 MET QG 54 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 629,630, igr2= 833,834, &end # # 41 MET QE 54 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635, igr2= 827,828, &end # # 41 MET QE 54 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635, igr2= 830,831, &end # # 41 MET QE 54 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635, igr2= 833,834, &end # # 42 VAL H 42 VAL HB &rst iat= 639,643, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 VAL H 42 VAL QG &rst iat= 639, -1, r1= 0, r2= 0, r3= 4.05, r4= 4.725, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 645,646,647,649,650,651, &end # # 42 VAL HA 42 VAL QG &rst iat= 641, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 645,646,647,649,650,651, &end # # 42 VAL H 43 ASP H &rst iat= 639,655, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 VAL HA 43 ASP H &rst iat= 641,655, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 VAL HA 43 ASP HA &rst iat= 641,657, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 VAL HA 43 ASP QB &rst iat= 641, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 659,660, &end # # 42 VAL HB 43 ASP H &rst iat= 643,655, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 VAL QG 43 ASP H &rst iat= -1,655, r1= 0, r2= 0, r3= 4.455, r4= 5.13, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646,647,649,650,651, &end # # 42 VAL QG 43 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646,647,649,650,651, igr2= 659,660, &end # # 42 VAL QG 44 PRO HA &rst iat= -1,677, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646,647,649,650,651, &end # # 42 VAL QG 46 LYS H &rst iat= -1,696, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646,647,649,650,651, &end # # 42 VAL HB 47 PRO QB &rst iat= 643, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 725,726, &end # # 42 VAL QG 47 PRO HA &rst iat= -1,728, r1= 0, r2= 0, r3= 4.05, r4= 4.725, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646,647,649,650,651, &end # # 42 VAL QG 47 PRO QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9896, r4= 5.7456, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646,647,649,650,651, igr2= 725,726, &end # # 42 VAL QG 47 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646,647,649,650,651, igr2= 722,723, &end # # 42 VAL QG 47 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646,647,649,650,651, igr2= 719,720, &end # # 42 VAL QG 48 GLN H &rst iat= -1,732, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646,647,649,650,651, &end # # 42 VAL QG 49 LEU H &rst iat= -1,749, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646,647,649,650,651, &end # # 42 VAL HA 50 GLY H &rst iat= 641,768, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 VAL QG 50 GLY H &rst iat= -1,768, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646,647,649,650,651, &end # # 42 VAL QG 50 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646,647,649,650,651, igr2= 770,771, &end # # 42 VAL H 51 MET H &rst iat= 639,775, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 VAL H 51 MET HA &rst iat= 639,777, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 VAL H 51 MET QG &rst iat= 639, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 782,783, &end # # 42 VAL H 51 MET QE &rst iat= 639, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 786,787,788, &end # # 42 VAL HA 51 MET HA &rst iat= 641,777, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 VAL HA 51 MET QG &rst iat= 641, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 782,783, &end # # 42 VAL HA 51 MET QE &rst iat= 641, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 786,787,788, &end # # 42 VAL QG 51 MET H &rst iat= -1,775, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646,647,649,650,651, &end # # 42 VAL QG 51 MET HA &rst iat= -1,777, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646,647,649,650,651, &end # # 42 VAL QG 51 MET QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646,647,649,650,651, igr2= 782,783, &end # # 42 VAL QG 51 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.698, r4= 5.508, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 645,646,647,649,650,651, igr2= 786,787,788, &end # # 42 VAL H 52 ILE H &rst iat= 639,792, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 VAL HA 52 ILE H &rst iat= 641,792, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 VAL HA 52 ILE QG1 &rst iat= 641, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 802,803, &end # # 42 VAL HA 52 ILE QG2 &rst iat= 641, -1, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 798,799,800, &end # # 43 ASP H 43 ASP QB &rst iat= 655, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 659,660, &end # # 43 ASP H 44 PRO QD &rst iat= 655, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 668,669, &end # # 43 ASP HA 44 PRO HA &rst iat= 657,677, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 ASP HA 44 PRO QG &rst iat= 657, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 671,672, &end # # 43 ASP HA 44 PRO QD &rst iat= 657, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 668,669, &end # # 43 ASP QB 44 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 659,660, igr2= 668,669, &end # # 43 ASP H 45 GLU H &rst iat= 655,681, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 ASP HA 45 GLU H &rst iat= 657,681, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 ASP QB 45 GLU H &rst iat= -1,681, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 659,660, &end # # 43 ASP H 46 LYS H &rst iat= 655,696, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 ASP QB 46 LYS H &rst iat= -1,696, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 659,660, &end # # 43 ASP QB 46 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 659,660, igr2= 700,701, &end # # 43 ASP QB 46 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 659,660, igr2= 703,704, &end # # 43 ASP H 47 PRO HA &rst iat= 655,728, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 ASP H 49 LEU H &rst iat= 655,749, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 ASP H 49 LEU QD &rst iat= 655, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 758,759,760,762,763,764, &end # # 43 ASP QB 49 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 659,660, igr2= 758,759,760,762,763,764, &end # # 43 ASP H 50 GLY H &rst iat= 655,768, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 ASP QB 50 GLY H &rst iat= -1,768, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 659,660, &end # # 43 ASP H 51 MET H &rst iat= 655,775, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 ASP H 51 MET HA &rst iat= 655,777, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 ASP H 52 ILE H &rst iat= 655,792, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 ASP H 52 ILE QG1 &rst iat= 655, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 802,803, &end # # 43 ASP H 52 ILE QG2 &rst iat= 655, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 798,799,800, &end # # 43 ASP H 52 ILE QD1 &rst iat= 655, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 805,806,807, &end # # 43 ASP HA 52 ILE QD1 &rst iat= 657, -1, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 805,806,807, &end # # 43 ASP QB 52 ILE H &rst iat= -1,792, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 659,660, &end # # 43 ASP QB 52 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 659,660, igr2= 802,803, &end # # 43 ASP QB 52 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 659,660, igr2= 798,799,800, &end # # 43 ASP QB 52 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 659,660, igr2= 805,806,807, &end # # 44 PRO QB 45 GLU H &rst iat= -1,681, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 674,675, &end # # 44 PRO QB 45 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 674,675, igr2= 688,689, &end # # 44 PRO QG 45 GLU H &rst iat= -1,681, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 671,672, &end # # 44 PRO QG 45 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 671,672, igr2= 688,689, &end # # 44 PRO QD 45 GLU H &rst iat= -1,681, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 668,669, &end # # 44 PRO QD 45 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 668,669, igr2= 685,686, &end # # 44 PRO QD 45 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 668,669, igr2= 688,689, &end # # 44 PRO HA 46 LYS H &rst iat= 677,696, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 PRO QB 46 LYS H &rst iat= -1,696, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 674,675, &end # # 44 PRO QD 46 LYS H &rst iat= -1,696, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 668,669, &end # # 44 PRO HA 47 PRO QB &rst iat= 677, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 725,726, &end # # 44 PRO HA 47 PRO QD &rst iat= 677, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 719,720, &end # # 44 PRO QD 52 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 668,669, igr2= 805,806,807, &end # # 45 GLU H 45 GLU QB &rst iat= 681, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 685,686, &end # # 45 GLU H 45 GLU QG &rst iat= 681, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 688,689, &end # # 45 GLU HA 45 GLU QG &rst iat= 683, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 688,689, &end # # 45 GLU QB 45 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.38688, r4= 4.01408, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 685,686, igr2= 688,689, &end # # 45 GLU H 46 LYS H &rst iat= 681,696, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 45 GLU H 46 LYS HA &rst iat= 681,698, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 45 GLU H 46 LYS QG &rst iat= 681, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 703,704, &end # # 45 GLU HA 46 LYS HA &rst iat= 683,698, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 45 GLU HA 46 LYS QG &rst iat= 683, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 703,704, &end # # 45 GLU QB 46 LYS H &rst iat= -1,696, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 685,686, &end # # 45 GLU QB 46 LYS HA &rst iat= -1,698, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 685,686, &end # # 45 GLU QB 46 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 685,686, igr2= 703,704, &end # # 45 GLU QG 46 LYS H &rst iat= -1,696, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 688,689, &end # # 45 GLU QG 46 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 688,689, igr2= 703,704, &end # # 45 GLU H 47 PRO QD &rst iat= 681, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 719,720, &end # # 45 GLU HA 47 PRO QD &rst iat= 683, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 719,720, &end # # 46 LYS H 46 LYS QB &rst iat= 696, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 700,701, &end # # 46 LYS H 46 LYS QG &rst iat= 696, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 703,704, &end # # 46 LYS H 46 LYS QD &rst iat= 696, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 706,707, &end # # 46 LYS H 46 LYS QE &rst iat= 696, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 709,710, &end # # 46 LYS HA 46 LYS QG &rst iat= 698, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 703,704, &end # # 46 LYS QB 46 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 700,701, igr2= 703,704, &end # # 46 LYS QB 46 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 700,701, igr2= 709,710, &end # # 46 LYS QG 46 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 703,704, igr2= 709,710, &end # # 46 LYS H 47 PRO HA &rst iat= 696,728, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 LYS H 47 PRO QG &rst iat= 696, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 722,723, &end # # 46 LYS H 47 PRO QD &rst iat= 696, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 719,720, &end # # 46 LYS HA 47 PRO QD &rst iat= 698, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 719,720, &end # # 46 LYS QB 47 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 700,701, igr2= 719,720, &end # # 46 LYS QG 47 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 703,704, igr2= 719,720, &end # # 46 LYS H 48 GLN H &rst iat= 696,732, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 LYS HA 48 GLN H &rst iat= 698,732, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 LYS QB 48 GLN H &rst iat= -1,732, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 700,701, &end # # 46 LYS H 49 LEU QD &rst iat= 696, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 758,759,760,762,763,764, &end # # 46 LYS HA 49 LEU H &rst iat= 698,749, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 LYS HA 49 LEU QD &rst iat= 698, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 758,759,760,762,763,764, &end # # 46 LYS QB 49 LEU H &rst iat= -1,749, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 700,701, &end # # 46 LYS QB 49 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 700,701, igr2= 758,759,760,762,763,764, &end # # 46 LYS QG 49 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 703,704, igr2= 758,759,760,762,763,764, &end # # 46 LYS QD 49 LEU H &rst iat= -1,749, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 706,707, &end # # 46 LYS QD 49 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 706,707, igr2= 758,759,760,762,763,764, &end # # 46 LYS QE 49 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 709,710, igr2= 758,759,760,762,763,764, &end # # 46 LYS QB 50 GLY H &rst iat= -1,768, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 700,701, &end # # 47 PRO QB 48 GLN H &rst iat= -1,732, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 725,726, &end # # 47 PRO QG 48 GLN H &rst iat= -1,732, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 722,723, &end # # 47 PRO QD 48 GLN H &rst iat= -1,732, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 719,720, &end # # 47 PRO HA 49 LEU H &rst iat= 728,749, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 47 PRO HA 50 GLY H &rst iat= 728,768, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 GLN H 48 GLN QB &rst iat= 732, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 736,737, &end # # 48 GLN HA 48 GLN QG &rst iat= 734, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 739,740, &end # # 48 GLN H 49 LEU H &rst iat= 732,749, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 GLN H 49 LEU QD &rst iat= 732, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 758,759,760,762,763,764, &end # # 48 GLN QB 49 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 736,737, igr2= 758,759,760,762,763,764, &end # # 48 GLN H 50 GLY H &rst iat= 732,768, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 GLN HA 50 GLY H &rst iat= 734,768, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 LEU H 49 LEU QB &rst iat= 749, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 753,754, &end # # 49 LEU H 49 LEU HG &rst iat= 749,756, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 LEU H 49 LEU QD &rst iat= 749, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 758,759,760,762,763,764, &end # # 49 LEU HA 49 LEU QD &rst iat= 751, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 758,759,760,762,763,764, &end # # 49 LEU QB 49 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 753,754, igr2= 758,759,760,762,763,764, &end # # 49 LEU H 50 GLY H &rst iat= 749,768, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 LEU H 50 GLY QA &rst iat= 749, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 770,771, &end # # 49 LEU HA 50 GLY QA &rst iat= 751, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 770,771, &end # # 49 LEU QB 50 GLY H &rst iat= -1,768, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 753,754, &end # # 49 LEU QD 50 GLY H &rst iat= -1,768, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 758,759,760,762,763,764, &end # # 49 LEU QD 51 MET H &rst iat= -1,775, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 758,759,760,762,763,764, &end # # 49 LEU H 52 ILE QG2 &rst iat= 749, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 798,799,800, &end # # 49 LEU QB 52 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 753,754, igr2= 798,799,800, &end # # 49 LEU QD 52 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.374, r4= 5.184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 758,759,760,762,763,764, igr2= 798,799,800, &end # # 50 GLY H 51 MET H &rst iat= 768,775, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 GLY QA 51 MET H &rst iat= -1,775, r1= 0, r2= 0, r3= 3.584, r4= 4.144, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 770,771, &end # # 50 GLY QA 51 MET QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 770,771, igr2= 779,780, &end # # 50 GLY QA 51 MET QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 770,771, igr2= 782,783, &end # # 51 MET H 51 MET QB &rst iat= 775, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 779,780, &end # # 51 MET H 51 MET QG &rst iat= 775, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 782,783, &end # # 51 MET HA 51 MET QG &rst iat= 777, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 782,783, &end # # 51 MET HA 51 MET QE &rst iat= 777, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 786,787,788, &end # # 51 MET QB 51 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 779,780, igr2= 786,787,788, &end # # 51 MET QG 51 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3008, r4= 4.9728, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 782,783, igr2= 786,787,788, &end # # 51 MET H 52 ILE H &rst iat= 775,792, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 MET H 52 ILE HA &rst iat= 775,794, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 MET HA 52 ILE H &rst iat= 777,792, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 MET HA 52 ILE HA &rst iat= 777,794, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 MET HA 52 ILE QG1 &rst iat= 777, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 802,803, &end # # 51 MET HA 52 ILE QG2 &rst iat= 777, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 798,799,800, &end # # 51 MET QB 52 ILE H &rst iat= -1,792, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 779,780, &end # # 51 MET QG 52 ILE H &rst iat= -1,792, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 782,783, &end # # 52 ILE H 52 ILE HB &rst iat= 792,796, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 ILE H 52 ILE QG1 &rst iat= 792, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 802,803, &end # # 52 ILE H 52 ILE QG2 &rst iat= 792, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 798,799,800, &end # # 52 ILE H 52 ILE QD1 &rst iat= 792, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 805,806,807, &end # # 52 ILE HA 52 ILE QG1 &rst iat= 794, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 802,803, &end # # 52 ILE HA 52 ILE QG2 &rst iat= 794, -1, r1= 0, r2= 0, r3= 3.48, r4= 4.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 798,799,800, &end # # 52 ILE HB 52 ILE QD1 &rst iat= 796, -1, r1= 0, r2= 0, r3= 3.48, r4= 4.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 805,806,807, &end # # 52 ILE QG2 52 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 798,799,800, igr2= 802,803, &end # # 52 ILE H 53 ASP H &rst iat= 792,811, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 ILE HA 53 ASP H &rst iat= 794,811, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 ILE HA 53 ASP HA &rst iat= 794,813, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 ILE HA 53 ASP QB &rst iat= 794, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 815,816, &end # # 52 ILE HB 53 ASP H &rst iat= 796,811, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 ILE QG1 53 ASP H &rst iat= -1,811, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,803, &end # # 52 ILE QG2 53 ASP H &rst iat= -1,811, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 798,799,800, &end # # 52 ILE QD1 53 ASP H &rst iat= -1,811, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 805,806,807, &end # # 52 ILE HA 54 ARG H &rst iat= 794,823, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 ILE QG1 54 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,803, igr2= 833,834, &end # # 52 ILE QG2 54 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 798,799,800, igr2= 833,834, &end # # 52 ILE QD1 54 ARG H &rst iat= -1,823, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 805,806,807, &end # # 52 ILE QD1 54 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 805,806,807, igr2= 830,831, &end # # 52 ILE QD1 54 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 805,806,807, igr2= 833,834, &end # # 52 ILE QD1 55 TRP H &rst iat= -1,847, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 805,806,807, &end # # 53 ASP H 53 ASP QB &rst iat= 811, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 815,816, &end # # 53 ASP H 54 ARG H &rst iat= 811,823, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ASP HA 54 ARG H &rst iat= 813,823, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ASP QB 54 ARG H &rst iat= -1,823, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 815,816, &end # # 53 ASP QB 55 TRP HD1 &rst iat= -1,855, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 815,816, &end # # 53 ASP QB 55 TRP HE1 &rst iat= -1,857, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 815,816, &end # # 53 ASP QB 55 TRP HZ2 &rst iat= -1,860, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 815,816, &end # # 54 ARG H 54 ARG QB &rst iat= 823, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 827,828, &end # # 54 ARG H 54 ARG QG &rst iat= 823, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 830,831, &end # # 54 ARG H 54 ARG QD &rst iat= 823, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 833,834, &end # # 54 ARG HA 54 ARG QG &rst iat= 825, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 830,831, &end # # 54 ARG HA 54 ARG QD &rst iat= 825, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 833,834, &end # # 54 ARG QB 54 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.01408, r4= 4.64128, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 827,828, igr2= 833,834, &end # # 54 ARG H 55 TRP HA &rst iat= 823,849, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 ARG HA 55 TRP H &rst iat= 825,847, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 ARG HA 55 TRP HA &rst iat= 825,849, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 ARG HA 55 TRP QB &rst iat= 825, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 851,852, &end # # 54 ARG HA 55 TRP HD1 &rst iat= 825,855, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 ARG QB 55 TRP H &rst iat= -1,847, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 827,828, &end # # 54 ARG QG 55 TRP H &rst iat= -1,847, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 830,831, &end # # 54 ARG HA 56 TYR QE &rst iat= 825, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 881,886, &end # # 54 ARG QB 56 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 827,828, igr2= 881,886, &end # # 54 ARG QG 56 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 830,831, igr2= 881,886, &end # # 54 ARG QD 56 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 833,834, igr2= 881,886, &end # # 55 TRP H 55 TRP HD1 &rst iat= 847,855, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 TRP H 55 TRP HE1 &rst iat= 847,857, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 TRP HA 55 TRP HD1 &rst iat= 849,855, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 TRP HA 55 TRP HE1 &rst iat= 849,857, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 TRP HA 55 TRP HE3 &rst iat= 849,866, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 TRP QB 55 TRP HE1 &rst iat= -1,857, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 851,852, &end # # 55 TRP QB 55 TRP HZ3 &rst iat= -1,864, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 851,852, &end # # 55 TRP H 56 TYR H &rst iat= 847,871, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 TRP H 56 TYR QE &rst iat= 847, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 881,886, &end # # 55 TRP HA 56 TYR QD &rst iat= 849, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 879,888, &end # # 55 TRP QB 56 TYR H &rst iat= -1,871, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 851,852, &end # # 55 TRP HE3 56 TYR H &rst iat= 866,871, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 TRP HZ3 56 TYR H &rst iat= 864,871, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 TYR H 56 TYR QD &rst iat= 871, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 879,888, &end # # 56 TYR HA 56 TYR QD &rst iat= 873, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 879,888, &end # # 56 TYR HA 56 TYR QE &rst iat= 873, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 881,886, &end # # 56 TYR H 57 HIS H &rst iat= 871,892, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 TYR HA 57 HIS H &rst iat= 873,892, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 TYR HA 57 HIS QB &rst iat= 873, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 896,897, &end # # 56 TYR QB 57 HIS H &rst iat= -1,892, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 875,876, &end # # 56 TYR QD 57 HIS H &rst iat= -1,892, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 879,888, &end # # 56 TYR HA 60 CYS QB &rst iat= 873, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 935,934, &end # # 56 TYR QB 60 CYS H &rst iat= -1,930, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 875,876, &end # # 56 TYR HA 61 PHE H &rst iat= 873,940, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 TYR QB 61 PHE H &rst iat= -1,940, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 875,876, &end # # 56 TYR QB 61 PHE HA &rst iat= -1,942, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 875,876, &end # # 56 TYR QB 61 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 875,876, igr2= 944,945, &end # # 56 TYR QB 61 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 875,876, igr2= 948,956, &end # # 56 TYR QD 61 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 879,888, igr2= 944,945, &end # # 56 TYR QB 62 VAL H &rst iat= -1,960, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 875,876, &end # # 56 TYR QD 64 ASN 2HD2 &rst iat= -1,1008, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 879,888, &end # # 56 TYR QD 68 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 879,888, igr2= 1075,1076,1077,1079,1080,1081, &end # # 56 TYR QE 68 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 881,886, igr2= 1075,1076,1077,1079,1080,1081, &end # # 57 HIS H 57 HIS QB &rst iat= 892, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 896,897, &end # # 57 HIS H 57 HIS HD2 &rst iat= 892,905, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 HIS HA 57 HIS HD2 &rst iat= 894,905, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 HIS HA 57 HIS HE1 &rst iat= 894,901, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 HIS H 58 PRO QD &rst iat= 892, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 910,911, &end # # 57 HIS HA 58 PRO QG &rst iat= 894, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 913,914, &end # # 57 HIS HA 58 PRO QD &rst iat= 894, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 910,911, &end # # 57 HIS QB 58 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 896,897, igr2= 910,911, &end # # 57 HIS HD2 58 PRO QG &rst iat= 905, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 913,914, &end # # 57 HIS HD2 58 PRO QD &rst iat= 905, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 910,911, &end # # 57 HIS H 59 GLY H &rst iat= 892,923, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 HIS HA 59 GLY H &rst iat= 894,923, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 HIS QB 59 GLY H &rst iat= -1,923, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 896,897, &end # # 57 HIS HD2 59 GLY H &rst iat= 905,923, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 HIS H 60 CYS H &rst iat= 892,930, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 HIS H 60 CYS HA &rst iat= 892,932, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 HIS H 60 CYS QB &rst iat= 892, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 935,934, &end # # 57 HIS HA 60 CYS H &rst iat= 894,930, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 HIS QB 60 CYS H &rst iat= -1,930, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 896,897, &end # # 57 HIS QB 60 CYS HA &rst iat= -1,932, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 896,897, &end # # 57 HIS QB 60 CYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 896,897, igr2= 935,934, &end # # 57 HIS H 61 PHE H &rst iat= 892,940, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 HIS H 61 PHE QB &rst iat= 892, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 944,945, &end # # 57 HIS H 61 PHE QD &rst iat= 892, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 948,956, &end # # 57 HIS HA 61 PHE H &rst iat= 894,940, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 HIS QB 61 PHE H &rst iat= -1,940, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 896,897, &end # # 58 PRO QB 59 GLY H &rst iat= -1,923, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 916,917, &end # # 58 PRO QG 59 GLY H &rst iat= -1,923, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 913,914, &end # # 58 PRO QD 59 GLY H &rst iat= -1,923, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 910,911, &end # # 58 PRO HA 60 CYS H &rst iat= 919,930, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 PRO QB 60 CYS H &rst iat= -1,930, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 916,917, &end # # 58 PRO QD 60 CYS H &rst iat= -1,930, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 910,911, &end # # 58 PRO HA 61 PHE H &rst iat= 919,940, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 PRO HA 61 PHE QB &rst iat= 919, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 944,945, &end # # 58 PRO HA 61 PHE QD &rst iat= 919, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 948,956, &end # # 58 PRO HA 61 PHE QE &rst iat= 919, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 950,954, &end # # 58 PRO HA 62 VAL H &rst iat= 919,960, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 PRO HA 62 VAL QG &rst iat= 919, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 966,967,968,970,971,972, &end # # 58 PRO HA 93 LEU QD &rst iat= 919, -1, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1459,1460,1461,1463,1464,1465, &end # # 58 PRO QB 93 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 916,917, igr2= 1459,1460,1461,1463,1464,1465, &end # # 58 PRO QG 93 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 913,914, igr2= 1459,1460,1461,1463,1464,1465, &end # # 59 GLY H 60 CYS H &rst iat= 923,930, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 GLY H 60 CYS HA &rst iat= 923,932, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 GLY H 61 PHE H &rst iat= 923,940, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 GLY H 61 PHE QB &rst iat= 923, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 944,945, &end # # 59 GLY H 61 PHE QE &rst iat= 923, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 950,954, &end # # 59 GLY QA 61 PHE H &rst iat= -1,940, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 925,926, &end # # 59 GLY QA 61 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 925,926, igr2= 950,954, &end # # 59 GLY H 62 VAL H &rst iat= 923,960, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 GLY H 62 VAL QG &rst iat= 923, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 966,967,968,970,971,972, &end # # 59 GLY QA 62 VAL H &rst iat= -1,960, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 925,926, &end # # 59 GLY QA 62 VAL HB &rst iat= -1,964, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 925,926, &end # # 59 GLY QA 62 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 925,926, igr2= 966,967,968,970,971,972, &end # # 59 GLY QA 63 LYS H &rst iat= -1,976, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 925,926, &end # # 60 CYS H 60 CYS QB &rst iat= 930, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 935,934, &end # # 60 CYS H 61 PHE H &rst iat= 930,940, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 CYS H 61 PHE QB &rst iat= 930, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 944,945, &end # # 60 CYS H 61 PHE QD &rst iat= 930, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 948,956, &end # # 60 CYS HA 61 PHE QD &rst iat= 932, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 948,956, &end # # 60 CYS QB 61 PHE H &rst iat= -1,940, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 935,934, &end # # 60 CYS QB 61 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 935,934, igr2= 948,956, &end # # 60 CYS H 62 VAL H &rst iat= 930,960, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 CYS H 62 VAL QG &rst iat= 930, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 966,967,968,970,971,972, &end # # 60 CYS HA 62 VAL H &rst iat= 932,960, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 CYS H 63 LYS H &rst iat= 930,976, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 CYS H 63 LYS QB &rst iat= 930, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 980,981, &end # # 60 CYS HA 63 LYS H &rst iat= 932,976, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 CYS HA 63 LYS QB &rst iat= 932, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 980,981, &end # # 60 CYS HA 63 LYS QE &rst iat= 932, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 989,990, &end # # 60 CYS QB 63 LYS H &rst iat= -1,976, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 935,934, &end # # 60 CYS QB 63 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 935,934, igr2= 980,981, &end # # 60 CYS HA 64 ASN H &rst iat= 932,998, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 CYS HA 64 ASN 2HD2 &rst iat= 932,1008, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 CYS QB 64 ASN 1HD2 &rst iat= -1,1007, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 935,934, &end # # 60 CYS QB 64 ASN 2HD2 &rst iat= -1,1008, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 935,934, &end # # 61 PHE H 61 PHE QD &rst iat= 940, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 948,956, &end # # 61 PHE HA 61 PHE QD &rst iat= 942, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 948,956, &end # # 61 PHE QB 61 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945, igr2= 950,954, &end # # 61 PHE QD 61 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.13952, r4= 4.76672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 948,956, igr2= 950,954, &end # # 61 PHE H 62 VAL H &rst iat= 940,960, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 61 PHE H 62 VAL QG &rst iat= 940, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 966,967,968,970,971,972, &end # # 61 PHE HA 62 VAL QG &rst iat= 942, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 966,967,968,970,971,972, &end # # 61 PHE QB 62 VAL H &rst iat= -1,960, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945, &end # # 61 PHE QB 62 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945, igr2= 966,967,968,970,971,972, &end # # 61 PHE QD 62 VAL H &rst iat= -1,960, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 948,956, &end # # 61 PHE QD 62 VAL HA &rst iat= -1,962, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 948,956, &end # # 61 PHE QD 62 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 948,956, igr2= 966,967,968,970,971,972, &end # # 61 PHE QE 62 VAL H &rst iat= -1,960, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 950,954, &end # # 61 PHE QE 62 VAL HA &rst iat= -1,962, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 950,954, &end # # 61 PHE H 63 LYS H &rst iat= 940,976, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 61 PHE H 63 LYS QB &rst iat= 940, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 980,981, &end # # 61 PHE HA 63 LYS QB &rst iat= 942, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 980,981, &end # # 61 PHE QD 63 LYS H &rst iat= -1,976, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 948,956, &end # # 61 PHE H 64 ASN H &rst iat= 940,998, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 61 PHE H 64 ASN 2HD2 &rst iat= 940,1008, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 61 PHE HA 64 ASN H &rst iat= 942,998, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 61 PHE HA 64 ASN 1HD2 &rst iat= 942,1007, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 61 PHE HA 64 ASN 2HD2 &rst iat= 942,1008, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 61 PHE QD 64 ASN 1HD2 &rst iat= -1,1007, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 948,956, &end # # 61 PHE QD 65 ARG H &rst iat= -1,1012, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 948,956, &end # # 61 PHE H 68 LEU QD &rst iat= 940, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1075,1076,1077,1079,1080,1081, &end # # 61 PHE QB 68 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 944,945, igr2= 1075,1076,1077,1079,1080,1081, &end # # 61 PHE QD 68 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 948,956, igr2= 1075,1076,1077,1079,1080,1081, &end # # 61 PHE QD 79 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 948,956, igr2= 1244,1245,1246,1248,1249,1250, &end # # 61 PHE QD 97 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 948,956, igr2= 1539,1540,1541,1543,1544,1545, &end # # 61 PHE QE 97 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 950,954, igr2= 1539,1540,1541,1543,1544,1545, &end # # 62 VAL H 62 VAL HB &rst iat= 960,964, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 VAL H 62 VAL QG &rst iat= 960, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 966,967,968,970,971,972, &end # # 62 VAL HA 62 VAL QG &rst iat= 962, -1, r1= 0, r2= 0, r3= 4.05, r4= 4.725, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 966,967,968,970,971,972, &end # # 62 VAL H 63 LYS H &rst iat= 960,976, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 VAL HA 63 LYS HA &rst iat= 962,978, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 VAL HB 63 LYS H &rst iat= 964,976, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 VAL QG 63 LYS H &rst iat= -1,976, r1= 0, r2= 0, r3= 4.725, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967,968,970,971,972, &end # # 62 VAL QG 63 LYS HA &rst iat= -1,978, r1= 0, r2= 0, r3= 4.995, r4= 5.67, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967,968,970,971,972, &end # # 62 VAL QG 63 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967,968,970,971,972, igr2= 980,981, &end # # 62 VAL H 64 ASN H &rst iat= 960,998, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 VAL QG 64 ASN H &rst iat= -1,998, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967,968,970,971,972, &end # # 62 VAL HA 65 ARG H &rst iat= 962,1012, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 VAL HA 65 ARG QB &rst iat= 962, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1016,1017, &end # # 62 VAL QG 65 ARG H &rst iat= -1,1012, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967,968,970,971,972, &end # # 62 VAL H 68 LEU QD &rst iat= 960, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1075,1076,1077,1079,1080,1081, &end # # 62 VAL QG 96 GLN H &rst iat= -1,1513, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967,968,970,971,972, &end # # 62 VAL QG 96 GLN HA &rst iat= -1,1515, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967,968,970,971,972, &end # # 62 VAL QG 96 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967,968,970,971,972, igr2= 1517,1518, &end # # 62 VAL H 97 LEU QD &rst iat= 960, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1539,1540,1541,1543,1544,1545, &end # # 62 VAL HA 97 LEU QB &rst iat= 962, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1534,1535, &end # # 62 VAL HA 97 LEU QD &rst iat= 962, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1539,1540,1541,1543,1544,1545, &end # # 62 VAL QG 97 LEU H &rst iat= -1,1530, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967,968,970,971,972, &end # # 62 VAL QG 97 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967,968,970,971,972, igr2= 1534,1535, &end # # 62 VAL QG 97 LEU HG &rst iat= -1,1537, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967,968,970,971,972, &end # # 62 VAL QG 97 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.37875, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967,968,970,971,972, igr2= 1539,1540,1541,1543,1544,1545, &end # # 63 LYS H 63 LYS QB &rst iat= 976, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 980,981, &end # # 63 LYS H 63 LYS QE &rst iat= 976, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 989,990, &end # # 63 LYS QB 63 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 980,981, igr2= 989,990, &end # # 63 LYS H 64 ASN H &rst iat= 976,998, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 LYS H 64 ASN HA &rst iat= 976,1000, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 LYS HA 64 ASN HA &rst iat= 978,1000, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 LYS QB 64 ASN H &rst iat= -1,998, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 980,981, &end # # 63 LYS QB 64 ASN 2HD2 &rst iat= -1,1008, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 980,981, &end # # 63 LYS QE 64 ASN H &rst iat= -1,998, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990, &end # # 63 LYS QE 64 ASN 2HD2 &rst iat= -1,1008, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 989,990, &end # # 63 LYS H 65 ARG H &rst iat= 976,1012, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 LYS H 65 ARG QB &rst iat= 976, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1016,1017, &end # # 63 LYS HA 65 ARG H &rst iat= 978,1012, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 LYS H 68 LEU QD &rst iat= 976, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1075,1076,1077,1079,1080,1081, &end # # 64 ASN H 64 ASN QB &rst iat= 998, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1002,1003, &end # # 64 ASN H 64 ASN 1HD2 &rst iat= 998,1007, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ASN H 64 ASN 2HD2 &rst iat= 998,1008, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ASN HA 64 ASN 1HD2 &rst iat= 1000,1007, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ASN HA 64 ASN 2HD2 &rst iat= 1000,1008, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ASN H 65 ARG QB &rst iat= 998, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1016,1017, &end # # 64 ASN HA 65 ARG HA &rst iat= 1000,1014, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ASN QB 65 ARG H &rst iat= -1,1012, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1002,1003, &end # # 64 ASN QB 65 ARG HA &rst iat= -1,1014, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1002,1003, &end # # 64 ASN 1HD2 65 ARG HA &rst iat= 1007,1014, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ASN H 66 GLU H &rst iat= 998,1036, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ASN HA 66 GLU H &rst iat= 1000,1036, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ASN HA 66 GLU QG &rst iat= 1000, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1043,1044, &end # # 64 ASN QB 66 GLU H &rst iat= -1,1036, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1002,1003, &end # # 64 ASN HA 67 GLU H &rst iat= 1000,1051, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ASN HA 67 GLU HA &rst iat= 1000,1053, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ASN HA 67 GLU QB &rst iat= 1000, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1055,1056, &end # # 64 ASN QB 67 GLU H &rst iat= -1,1051, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1002,1003, &end # # 64 ASN QB 67 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1002,1003, igr2= 1055,1056, &end # # 64 ASN QB 67 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1002,1003, igr2= 1058,1059, &end # # 64 ASN H 68 LEU H &rst iat= 998,1066, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ASN H 68 LEU QD &rst iat= 998, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1075,1076,1077,1079,1080,1081, &end # # 64 ASN HA 68 LEU H &rst iat= 1000,1066, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ASN HA 68 LEU HG &rst iat= 1000,1073, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ASN HA 68 LEU QD &rst iat= 1000, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1075,1076,1077,1079,1080,1081, &end # # 64 ASN QB 68 LEU H &rst iat= -1,1066, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1002,1003, &end # # 64 ASN QB 68 LEU HG &rst iat= -1,1073, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1002,1003, &end # # 64 ASN QB 68 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1002,1003, igr2= 1075,1076,1077,1079,1080,1081, &end # # 64 ASN 1HD2 68 LEU H &rst iat= 1007,1066, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ASN 1HD2 68 LEU QB &rst iat= 1007, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1070,1071, &end # # 64 ASN 2HD2 68 LEU HG &rst iat= 1008,1073, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ASN 1HD2 68 LEU QD &rst iat= 1007, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1075,1076,1077,1079,1080,1081, &end # # 64 ASN 2HD2 68 LEU QD &rst iat= 1008, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1075,1076,1077,1079,1080,1081, &end # # 65 ARG H 65 ARG QB &rst iat= 1012, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1016,1017, &end # # 65 ARG H 65 ARG QG &rst iat= 1012, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1019,1020, &end # # 65 ARG H 65 ARG &rst iat= 1012, -1, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1019,1020, &end # # 65 ARG QB 65 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1016,1017, igr2= 1022,1023, &end # # 65 ARG H 66 GLU H &rst iat= 1012,1036, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 ARG H 66 GLU HA &rst iat= 1012,1038, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 ARG QB 66 GLU H &rst iat= -1,1036, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1016,1017, &end # # 65 ARG QG 66 GLU H &rst iat= -1,1036, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1019,1020, &end # # 65 ARG QD 66 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1022,1023, igr2= 1040,1041, &end # # 65 ARG 66 GLU H &rst iat= -1,1036, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1022,1023, &end # # 65 ARG 66 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1022,1023, igr2= 1043,1044, &end # # 65 ARG H 67 GLU H &rst iat= 1012,1051, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 ARG HA 67 GLU H &rst iat= 1014,1051, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 ARG H 68 LEU H &rst iat= 1012,1066, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 ARG H 68 LEU HG &rst iat= 1012,1073, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 ARG H 68 LEU QD &rst iat= 1012, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1075,1076,1077,1079,1080,1081, &end # # 65 ARG HA 68 LEU H &rst iat= 1014,1066, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 ARG HA 68 LEU QB &rst iat= 1014, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1070,1071, &end # # 65 ARG HA 68 LEU HG &rst iat= 1014,1073, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 ARG HA 68 LEU QD &rst iat= 1014, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1075,1076,1077,1079,1080,1081, &end # # 65 ARG HA 69 GLY H &rst iat= 1014,1085, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 ARG QG 69 GLY H &rst iat= -1,1085, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1019,1020, &end # # 65 ARG 69 GLY H &rst iat= -1,1085, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1019,1020, &end # # 65 ARG H 70 PHE QB &rst iat= 1012, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1096,1097, &end # # 65 ARG HA 70 PHE H &rst iat= 1014,1092, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 ARG HA 70 PHE QB &rst iat= 1014, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1096,1097, &end # # 65 ARG HA 70 PHE QD &rst iat= 1014, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1100,1108, &end # # 65 ARG QB 70 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1016,1017, igr2= 1096,1097, &end # # 65 ARG QB 70 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1016,1017, igr2= 1100,1108, &end # # 65 ARG QG 70 PHE H &rst iat= -1,1092, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1019,1020, &end # # 65 ARG QG 70 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1019,1020, igr2= 1096,1097, &end # # 65 ARG QG 70 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1019,1020, igr2= 1100,1108, &end # # 65 ARG QD 70 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1022,1023, igr2= 1100,1108, &end # # 65 ARG 70 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1022,1023, igr2= 1100,1108, &end # # 65 ARG H 97 LEU QD &rst iat= 1012, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1539,1540,1541,1543,1544,1545, &end # # 65 ARG HA 97 LEU QD &rst iat= 1014, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1539,1540,1541,1543,1544,1545, &end # # 65 ARG QD 97 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1022,1023, igr2= 1539,1540,1541,1543,1544,1545, &end # # 66 GLU H 66 GLU QB &rst iat= 1036, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1040,1041, &end # # 66 GLU H 66 GLU QG &rst iat= 1036, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1043,1044, &end # # 66 GLU HA 66 GLU QB &rst iat= 1038, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1040,1041, &end # # 66 GLU QB 66 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1040,1041, igr2= 1043,1044, &end # # 66 GLU QG 67 GLU H &rst iat= -1,1051, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1043,1044, &end # # 66 GLU QG 67 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1043,1044, igr2= 1055,1056, &end # # 66 GLU H 68 LEU QD &rst iat= 1036, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1075,1076,1077,1079,1080,1081, &end # # 66 GLU H 69 GLY H &rst iat= 1036,1085, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 GLU HA 69 GLY H &rst iat= 1038,1085, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 GLU QG 69 GLY H &rst iat= -1,1085, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1043,1044, &end # # 66 GLU H 70 PHE H &rst iat= 1036,1092, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 GLU HA 70 PHE H &rst iat= 1038,1092, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 GLU H 67 GLU QB &rst iat= 1051, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1055,1056, &end # # 67 GLU HA 67 GLU QG &rst iat= 1053, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1058,1059, &end # # 67 GLU QB 67 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.38688, r4= 4.01408, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1055,1056, igr2= 1058,1059, &end # # 67 GLU H 68 LEU H &rst iat= 1051,1066, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 GLU H 68 LEU HA &rst iat= 1051,1068, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 GLU H 68 LEU QB &rst iat= 1051, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1070,1071, &end # # 67 GLU H 68 LEU HG &rst iat= 1051,1073, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 GLU H 68 LEU QD &rst iat= 1051, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1075,1076,1077,1079,1080,1081, &end # # 67 GLU QB 68 LEU H &rst iat= -1,1066, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1055,1056, &end # # 67 GLU QB 68 LEU HG &rst iat= -1,1073, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1055,1056, &end # # 67 GLU QB 68 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1055,1056, igr2= 1075,1076,1077,1079,1080,1081, &end # # 67 GLU QG 68 LEU H &rst iat= -1,1066, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1058,1059, &end # # 67 GLU QG 68 LEU HG &rst iat= -1,1073, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1058,1059, &end # # 67 GLU QG 68 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1058,1059, igr2= 1075,1076,1077,1079,1080,1081, &end # # 67 GLU H 69 GLY H &rst iat= 1051,1085, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 GLU H 70 PHE H &rst iat= 1051,1092, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LEU H 68 LEU QB &rst iat= 1066, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1070,1071, &end # # 68 LEU H 68 LEU HG &rst iat= 1066,1073, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LEU H 68 LEU QD &rst iat= 1066, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1075,1076,1077,1079,1080,1081, &end # # 68 LEU HA 68 LEU QD &rst iat= 1068, -1, r1= 0, r2= 0, r3= 4.05, r4= 4.725, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1075,1076,1077,1079,1080,1081, &end # # 68 LEU QB 68 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1070,1071, igr2= 1075,1076,1077,1079,1080,1081, &end # # 68 LEU H 69 GLY QA &rst iat= 1066, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1087,1088, &end # # 68 LEU QB 69 GLY H &rst iat= -1,1085, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1070,1071, &end # # 68 LEU QD 69 GLY H &rst iat= -1,1085, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1075,1076,1077,1079,1080,1081, &end # # 68 LEU H 70 PHE H &rst iat= 1066,1092, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LEU H 70 PHE QB &rst iat= 1066, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1096,1097, &end # # 68 LEU QB 70 PHE H &rst iat= -1,1092, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1070,1071, &end # # 68 LEU QD 70 PHE H &rst iat= -1,1092, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1075,1076,1077,1079,1080,1081, &end # # 69 GLY H 70 PHE H &rst iat= 1085,1092, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 GLY H 70 PHE QB &rst iat= 1085, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1096,1097, &end # # 70 PHE H 70 PHE QB &rst iat= 1092, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1096,1097, &end # # 70 PHE H 70 PHE QD &rst iat= 1092, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1100,1108, &end # # 70 PHE HA 70 PHE QD &rst iat= 1094, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1100,1108, &end # # 70 PHE HA 70 PHE QE &rst iat= 1094, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1102,1106, &end # # 70 PHE QB 70 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1096,1097, igr2= 1102,1106, &end # # 70 PHE QD 70 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1100,1108, igr2= 1102,1106, &end # # 70 PHE H 71 ARG H &rst iat= 1092,1112, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 70 PHE HA 71 ARG H &rst iat= 1094,1112, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 70 PHE QB 71 ARG H &rst iat= -1,1112, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1096,1097, &end # # 70 PHE HA 74 TYR QE &rst iat= 1094, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1175,1180, &end # # 70 PHE QE 75 SER H &rst iat= -1,1186, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1102,1106, &end # # 70 PHE QE 75 SER HA &rst iat= -1,1188, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1102,1106, &end # # 70 PHE QD 76 ALA H &rst iat= -1,1197, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1100,1108, &end # # 70 PHE QD 76 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1100,1108, igr2= 1201,1202,1203, &end # # 70 PHE QE 76 ALA H &rst iat= -1,1197, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1102,1106, &end # # 70 PHE QE 76 ALA HA &rst iat= -1,1199, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1102,1106, &end # # 70 PHE QE 76 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1102,1106, igr2= 1201,1202,1203, &end # # 70 PHE QE 77 SER H &rst iat= -1,1207, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1102,1106, &end # # 70 PHE QE 78 GLN H &rst iat= -1,1218, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1102,1106, &end # # 70 PHE QD 79 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1100,1108, igr2= 1244,1245,1246,1248,1249,1250, &end # # 70 PHE QE 79 LEU H &rst iat= -1,1235, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1102,1106, &end # # 70 PHE QE 79 LEU HG &rst iat= -1,1242, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1102,1106, &end # # 70 PHE QE 79 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1102,1106, igr2= 1244,1245,1246,1248,1249,1250, &end # # 70 PHE H 97 LEU QD &rst iat= 1092, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1539,1540,1541,1543,1544,1545, &end # # 70 PHE QD 97 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1100,1108, igr2= 1534,1535, &end # # 70 PHE QD 97 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1100,1108, igr2= 1539,1540,1541,1543,1544,1545, &end # # 70 PHE QE 97 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1102,1106, igr2= 1539,1540,1541,1543,1544,1545, &end # # 71 ARG H 71 ARG QD &rst iat= 1112, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1122,1123, &end # # 71 ARG HA 71 ARG QG &rst iat= 1114, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1119,1120, &end # # 71 ARG HA 71 ARG QD &rst iat= 1114, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1122,1123, &end # # 71 ARG QB 71 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1116,1117, igr2= 1122,1123, &end # # 71 ARG H 72 PRO QD &rst iat= 1112, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1137,1138, &end # # 71 ARG HA 72 PRO QB &rst iat= 1114, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1143,1144, &end # # 71 ARG HA 72 PRO QG &rst iat= 1114, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1140,1141, &end # # 71 ARG HA 72 PRO QD &rst iat= 1114, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1137,1138, &end # # 71 ARG QB 72 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1116,1117, igr2= 1137,1138, &end # # 71 ARG QG 72 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1119,1120, igr2= 1137,1138, &end # # 71 ARG QD 72 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1122,1123, igr2= 1137,1138, &end # # 71 ARG H 73 GLU H &rst iat= 1112,1150, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 71 ARG H 73 GLU QG &rst iat= 1112, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1157,1158, &end # # 71 ARG HA 73 GLU H &rst iat= 1114,1150, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 71 ARG QB 73 GLU H &rst iat= -1,1150, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1116,1117, &end # # 71 ARG QD 73 GLU H &rst iat= -1,1150, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1122,1123, &end # # 71 ARG H 74 TYR H &rst iat= 1112,1165, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 71 ARG H 74 TYR QD &rst iat= 1112, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1173,1182, &end # # 71 ARG H 74 TYR QE &rst iat= 1112, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1175,1180, &end # # 71 ARG HA 74 TYR H &rst iat= 1114,1165, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 71 ARG HA 74 TYR QE &rst iat= 1114, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1175,1180, &end # # 71 ARG QB 74 TYR H &rst iat= -1,1165, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1116,1117, &end # # 71 ARG QB 74 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1116,1117, igr2= 1173,1182, &end # # 71 ARG QB 74 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1116,1117, igr2= 1175,1180, &end # # 71 ARG QG 74 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1119,1120, igr2= 1175,1180, &end # # 71 ARG QD 74 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1122,1123, igr2= 1175,1180, &end # # 72 PRO QB 73 GLU H &rst iat= -1,1150, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1143,1144, &end # # 72 PRO QG 73 GLU H &rst iat= -1,1150, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1140,1141, &end # # 72 PRO QD 73 GLU H &rst iat= -1,1150, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1137,1138, &end # # 72 PRO HA 74 TYR H &rst iat= 1146,1165, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 72 PRO QD 74 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1137,1138, igr2= 1175,1180, &end # # 72 PRO HA 99 GLY QA &rst iat= 1146, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1565,1566, &end # # 72 PRO QB 99 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1143,1144, igr2= 1565,1566, &end # # 72 PRO HA 100 VAL QG &rst iat= 1146, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1576,1577,1578,1580,1581,1582, &end # # 72 PRO QB 100 VAL H &rst iat= -1,1570, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1143,1144, &end # # 72 PRO QB 100 VAL HA &rst iat= -1,1572, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1143,1144, &end # # 72 PRO QB 100 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1143,1144, igr2= 1576,1577,1578,1580,1581,1582, &end # # 73 GLU H 73 GLU QB &rst iat= 1150, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1154,1155, &end # # 73 GLU H 73 GLU QG &rst iat= 1150, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1157,1158, &end # # 73 GLU HA 73 GLU QG &rst iat= 1152, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1157,1158, &end # # 73 GLU H 74 TYR H &rst iat= 1150,1165, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 GLU H 74 TYR QD &rst iat= 1150, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1173,1182, &end # # 73 GLU H 74 TYR QE &rst iat= 1150, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1175,1180, &end # # 73 GLU HA 74 TYR HA &rst iat= 1152,1167, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 GLU QG 74 TYR H &rst iat= -1,1165, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1157,1158, &end # # 73 GLU QG 74 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1157,1158, igr2= 1173,1182, &end # # 73 GLU QG 74 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1157,1158, igr2= 1175,1180, &end # # 73 GLU H 75 SER H &rst iat= 1150,1186, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 GLU H 99 GLY QA &rst iat= 1150, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1565,1566, &end # # 73 GLU HA 99 GLY QA &rst iat= 1152, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1565,1566, &end # # 73 GLU H 100 VAL H &rst iat= 1150,1570, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 GLU H 100 VAL QG &rst iat= 1150, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1576,1577,1578,1580,1581,1582, &end # # 73 GLU HA 100 VAL H &rst iat= 1152,1570, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 GLU HA 100 VAL QG &rst iat= 1152, -1, r1= 0, r2= 0, r3= 4.995, r4= 5.67, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1576,1577,1578,1580,1581,1582, &end # # 73 GLU QB 100 VAL H &rst iat= -1,1570, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1154,1155, &end # # 73 GLU QB 100 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1154,1155, igr2= 1576,1577,1578,1580,1581,1582, &end # # 74 TYR H 74 TYR QB &rst iat= 1165, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1169,1170, &end # # 74 TYR H 74 TYR QD &rst iat= 1165, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1173,1182, &end # # 74 TYR HA 74 TYR QD &rst iat= 1167, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1173,1182, &end # # 74 TYR QB 74 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1169,1170, igr2= 1175,1180, &end # # 74 TYR H 75 SER H &rst iat= 1165,1186, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 TYR H 75 SER QB &rst iat= 1165, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1190,1191, &end # # 74 TYR HA 75 SER H &rst iat= 1167,1186, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 TYR HA 75 SER HA &rst iat= 1167,1188, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 TYR HA 75 SER QB &rst iat= 1167, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1190,1191, &end # # 74 TYR QB 75 SER H &rst iat= -1,1186, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1169,1170, &end # # 74 TYR QD 75 SER H &rst iat= -1,1186, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1173,1182, &end # # 74 TYR HA 78 GLN H &rst iat= 1167,1218, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 TYR H 99 GLY QA &rst iat= 1165, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1565,1566, &end # # 74 TYR H 100 VAL H &rst iat= 1165,1570, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 TYR H 100 VAL QG &rst iat= 1165, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1576,1577,1578,1580,1581,1582, &end # # 75 SER H 75 SER QB &rst iat= 1186, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1190,1191, &end # # 75 SER H 76 ALA H &rst iat= 1186,1197, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 SER HA 76 ALA H &rst iat= 1188,1197, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 SER HA 76 ALA QB &rst iat= 1188, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1201,1202,1203, &end # # 75 SER QB 76 ALA H &rst iat= -1,1197, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1190,1191, &end # # 75 SER H 77 SER H &rst iat= 1186,1207, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 SER H 77 SER QB &rst iat= 1186, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1211,1212, &end # # 75 SER HA 77 SER H &rst iat= 1188,1207, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 SER QB 77 SER H &rst iat= -1,1207, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1190,1191, &end # # 75 SER H 78 GLN H &rst iat= 1186,1218, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 SER H 78 GLN QB &rst iat= 1186, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1222,1223, &end # # 75 SER QB 78 GLN H &rst iat= -1,1218, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1190,1191, &end # # 75 SER QB 98 PRO HA &rst iat= -1,1559, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1190,1191, &end # # 75 SER H 99 GLY H &rst iat= 1186,1563, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 SER H 99 GLY QA &rst iat= 1186, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1565,1566, &end # # 75 SER HA 99 GLY QA &rst iat= 1188, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1565,1566, &end # # 75 SER QB 99 GLY H &rst iat= -1,1563, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1190,1191, &end # # 75 SER QB 99 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1190,1191, igr2= 1565,1566, &end # # 75 SER H 100 VAL QG &rst iat= 1186, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1576,1577,1578,1580,1581,1582, &end # # 76 ALA H 76 ALA QB &rst iat= 1197, -1, r1= 0, r2= 0, r3= 3.6, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1201,1202,1203, &end # # 76 ALA H 77 SER H &rst iat= 1197,1207, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 ALA HA 77 SER HA &rst iat= 1199,1209, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 ALA QB 77 SER H &rst iat= -1,1207, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, &end # # 76 ALA QB 77 SER HA &rst iat= -1,1209, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, &end # # 76 ALA QB 77 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, igr2= 1211,1212, &end # # 76 ALA H 78 GLN H &rst iat= 1197,1218, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 ALA HA 78 GLN H &rst iat= 1199,1218, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 ALA QB 78 GLN H &rst iat= -1,1218, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, &end # # 76 ALA H 79 LEU QD &rst iat= 1197, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1244,1245,1246,1248,1249,1250, &end # # 76 ALA HA 79 LEU H &rst iat= 1199,1235, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 ALA HA 79 LEU QB &rst iat= 1199, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1239,1240, &end # # 76 ALA HA 79 LEU HG &rst iat= 1199,1242, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 ALA HA 79 LEU QD &rst iat= 1199, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1244,1245,1246,1248,1249,1250, &end # # 76 ALA QB 79 LEU H &rst iat= -1,1235, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, &end # # 76 ALA QB 79 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.832, r4= 6.642, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, igr2= 1244,1245,1246,1248,1249,1250, &end # # 76 ALA QB 82 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, igr2= 1287,1288, &end # # 76 ALA QB 82 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, igr2= 1291,1299, &end # # 76 ALA QB 82 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, igr2= 1293,1297, &end # # 76 ALA QB 93 LEU H &rst iat= -1,1450, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, &end # # 76 ALA QB 93 LEU HA &rst iat= -1,1452, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, &end # # 76 ALA QB 93 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, igr2= 1454,1455, &end # # 76 ALA QB 93 LEU HG &rst iat= -1,1457, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, &end # # 76 ALA QB 93 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.614, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, igr2= 1459,1460,1461,1463,1464,1465, &end # # 76 ALA H 94 LYS HA &rst iat= 1197,1471, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 ALA QB 94 LYS H &rst iat= -1,1469, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, &end # # 76 ALA QB 94 LYS HA &rst iat= -1,1471, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, &end # # 76 ALA QB 94 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, igr2= 1473,1474, &end # # 76 ALA QB 94 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, igr2= 1476,1477, &end # # 76 ALA QB 94 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, igr2= 1482,1483, &end # # 76 ALA QB 95 LYS H &rst iat= -1,1491, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, &end # # 76 ALA QB 96 GLN H &rst iat= -1,1513, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, &end # # 76 ALA H 97 LEU QD &rst iat= 1197, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1539,1540,1541,1543,1544,1545, &end # # 76 ALA HA 97 LEU QD &rst iat= 1199, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1539,1540,1541,1543,1544,1545, &end # # 76 ALA QB 97 LEU H &rst iat= -1,1530, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, &end # # 76 ALA QB 97 LEU HG &rst iat= -1,1537, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, &end # # 76 ALA QB 97 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.642, r4= 7.452, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1201,1202,1203, igr2= 1539,1540,1541,1543,1544,1545, &end # # 77 SER H 77 SER QB &rst iat= 1207, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1211,1212, &end # # 77 SER H 78 GLN H &rst iat= 1207,1218, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 SER H 78 GLN HA &rst iat= 1207,1220, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 SER QB 78 GLN H &rst iat= -1,1218, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212, &end # # 77 SER H 79 LEU H &rst iat= 1207,1235, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 SER H 79 LEU QD &rst iat= 1207, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1244,1245,1246,1248,1249,1250, &end # # 77 SER HA 79 LEU H &rst iat= 1209,1235, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 SER HA 79 LEU QD &rst iat= 1209, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1244,1245,1246,1248,1249,1250, &end # # 77 SER H 82 PHE QD &rst iat= 1207, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1291,1299, &end # # 77 SER H 82 PHE QE &rst iat= 1207, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1293,1297, &end # # 77 SER HA 82 PHE QB &rst iat= 1209, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1287,1288, &end # # 77 SER HA 82 PHE QD &rst iat= 1209, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1291,1299, &end # # 77 SER HA 82 PHE QE &rst iat= 1209, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1293,1297, &end # # 77 SER QB 82 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212, igr2= 1291,1299, &end # # 77 SER QB 82 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212, igr2= 1293,1297, &end # # 77 SER H 94 LYS HA &rst iat= 1207,1471, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 SER QB 94 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1211,1212, igr2= 1476,1477, &end # # 77 SER H 97 LEU QD &rst iat= 1207, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1539,1540,1541,1543,1544,1545, &end # # 78 GLN H 78 GLN QB &rst iat= 1218, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1222,1223, &end # # 78 GLN H 78 GLN QG &rst iat= 1218, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1225,1226, &end # # 78 GLN HA 78 GLN QG &rst iat= 1220, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1225,1226, &end # # 78 GLN H 79 LEU H &rst iat= 1218,1235, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 78 GLN H 79 LEU HA &rst iat= 1218,1237, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 78 GLN H 79 LEU QB &rst iat= 1218, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1239,1240, &end # # 78 GLN H 79 LEU HG &rst iat= 1218,1242, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 78 GLN H 79 LEU QD &rst iat= 1218, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1244,1245,1246,1248,1249,1250, &end # # 78 GLN QB 79 LEU H &rst iat= -1,1235, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1222,1223, &end # # 78 GLN QB 79 LEU HA &rst iat= -1,1237, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1222,1223, &end # # 78 GLN H 82 PHE QB &rst iat= 1218, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1287,1288, &end # # 79 LEU H 79 LEU QB &rst iat= 1235, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1239,1240, &end # # 79 LEU H 79 LEU HG &rst iat= 1235,1242, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 LEU H 79 LEU QD &rst iat= 1235, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1244,1245,1246,1248,1249,1250, &end # # 79 LEU HA 79 LEU QD &rst iat= 1237, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1244,1245,1246,1248,1249,1250, &end # # 79 LEU QB 79 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1239,1240, igr2= 1244,1245,1246,1248,1249,1250, &end # # 79 LEU H 80 LYS H &rst iat= 1235,1254, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 LEU HA 80 LYS H &rst iat= 1237,1254, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 LEU HA 80 LYS QG &rst iat= 1237, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1261,1262, &end # # 79 LEU QB 80 LYS H &rst iat= -1,1254, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1239,1240, &end # # 79 LEU QD 80 LYS H &rst iat= -1,1254, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1244,1245,1246,1248,1249,1250, &end # # 79 LEU H 82 PHE H &rst iat= 1235,1283, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 LEU H 82 PHE QB &rst iat= 1235, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1287,1288, &end # # 79 LEU H 82 PHE QD &rst iat= 1235, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1291,1299, &end # # 79 LEU QB 82 PHE H &rst iat= -1,1283, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1239,1240, &end # # 79 LEU QB 82 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1239,1240, igr2= 1287,1288, &end # # 79 LEU QB 82 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1239,1240, igr2= 1291,1299, &end # # 79 LEU QD 82 PHE H &rst iat= -1,1283, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1244,1245,1246,1248,1249,1250, &end # # 79 LEU QD 82 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1244,1245,1246,1248,1249,1250, igr2= 1287,1288, &end # # 79 LEU QD 82 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1244,1245,1246,1248,1249,1250, igr2= 1291,1299, &end # # 79 LEU QD 97 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.10775, r4= 8.019, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1244,1245,1246,1248,1249,1250, igr2= 1539,1540,1541,1543,1544,1545, &end # # 80 LYS H 80 LYS QB &rst iat= 1254, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1258,1259, &end # # 80 LYS H 80 LYS QG &rst iat= 1254, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1261,1262, &end # # 80 LYS H 80 LYS QE &rst iat= 1254, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1267,1268, &end # # 80 LYS HA 80 LYS QG &rst iat= 1256, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1261,1262, &end # # 80 LYS QB 80 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1258,1259, igr2= 1261,1262, &end # # 80 LYS QB 80 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1258,1259, igr2= 1267,1268, &end # # 80 LYS QG 80 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1261,1262, igr2= 1267,1268, &end # # 80 LYS H 81 GLY H &rst iat= 1254,1276, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 LYS QB 81 GLY H &rst iat= -1,1276, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1258,1259, &end # # 80 LYS QG 81 GLY H &rst iat= -1,1276, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1261,1262, &end # # 80 LYS H 82 PHE H &rst iat= 1254,1283, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 LYS HA 82 PHE H &rst iat= 1256,1283, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 LYS HA 82 PHE QB &rst iat= 1256, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1287,1288, &end # # 81 GLY H 82 PHE H &rst iat= 1276,1283, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 GLY H 82 PHE QB &rst iat= 1276, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1287,1288, &end # # 81 GLY H 83 SER H &rst iat= 1276,1303, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 GLY QA 83 SER H &rst iat= -1,1303, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1278,1279, &end # # 81 GLY H 84 LEU QD &rst iat= 1276, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1323,1324,1325,1327,1328,1329, &end # # 81 GLY QA 84 LEU H &rst iat= -1,1314, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1278,1279, &end # # 81 GLY QA 84 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1278,1279, igr2= 1318,1319, &end # # 81 GLY QA 84 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1278,1279, igr2= 1323,1324,1325,1327,1328,1329, &end # # 82 PHE H 82 PHE QB &rst iat= 1283, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1287,1288, &end # # 82 PHE H 82 PHE QD &rst iat= 1283, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1291,1299, &end # # 82 PHE HA 82 PHE QD &rst iat= 1285, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1291,1299, &end # # 82 PHE HA 82 PHE QE &rst iat= 1285, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1293,1297, &end # # 82 PHE QB 82 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1288, igr2= 1293,1297, &end # # 82 PHE QD 82 PHE QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1291,1299, igr2= 1293,1297, &end # # 82 PHE H 83 SER H &rst iat= 1283,1303, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 PHE H 83 SER QB &rst iat= 1283, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1307,1308, &end # # 82 PHE QB 83 SER H &rst iat= -1,1303, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1288, &end # # 82 PHE QB 83 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1288, igr2= 1307,1308, &end # # 82 PHE QD 83 SER H &rst iat= -1,1303, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1291,1299, &end # # 82 PHE QD 83 SER HA &rst iat= -1,1305, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1291,1299, &end # # 82 PHE QD 83 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1291,1299, igr2= 1307,1308, &end # # 82 PHE H 84 LEU H &rst iat= 1283,1314, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 PHE H 84 LEU QB &rst iat= 1283, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1318,1319, &end # # 82 PHE QB 84 LEU H &rst iat= -1,1314, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1288, &end # # 82 PHE QD 84 LEU H &rst iat= -1,1314, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1291,1299, &end # # 82 PHE H 85 LEU H &rst iat= 1283,1333, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 PHE H 85 LEU QD &rst iat= 1283, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1342,1343,1344,1346,1347,1348, &end # # 82 PHE HA 85 LEU H &rst iat= 1285,1333, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 PHE HA 85 LEU QB &rst iat= 1285, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1337,1338, &end # # 82 PHE HA 85 LEU QD &rst iat= 1285, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1342,1343,1344,1346,1347,1348, &end # # 82 PHE QB 85 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1287,1288, igr2= 1342,1343,1344,1346,1347,1348, &end # # 82 PHE QD 85 LEU H &rst iat= -1,1333, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1291,1299, &end # # 82 PHE QD 85 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1291,1299, igr2= 1342,1343,1344,1346,1347,1348, &end # # 82 PHE QD 90 LYS HA &rst iat= -1,1405, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1291,1299, &end # # 82 PHE QD 90 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1291,1299, igr2= 1410,1411, &end # # 82 PHE QD 90 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1291,1299, igr2= 1416,1417, &end # # 82 PHE QE 90 LYS H &rst iat= -1,1403, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1293,1297, &end # # 82 PHE QE 90 LYS HA &rst iat= -1,1405, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1293,1297, &end # # 82 PHE QE 90 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1293,1297, igr2= 1407,1408, &end # # 82 PHE QE 90 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1293,1297, igr2= 1410,1411, &end # # 82 PHE QE 90 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1293,1297, igr2= 1416,1417, &end # # 82 PHE QE 91 GLU H &rst iat= -1,1425, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1293,1297, &end # # 82 PHE HA 93 LEU QD &rst iat= 1285, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1459,1460,1461,1463,1464,1465, &end # # 82 PHE QD 93 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1291,1299, igr2= 1454,1455, &end # # 82 PHE QD 93 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1291,1299, igr2= 1459,1460,1461,1463,1464,1465, &end # # 82 PHE QE 93 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1293,1297, igr2= 1454,1455, &end # # 82 PHE QE 93 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1293,1297, igr2= 1459,1460,1461,1463,1464,1465, &end # # 82 PHE QD 94 LYS H &rst iat= -1,1469, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1291,1299, &end # # 82 PHE QD 94 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1291,1299, igr2= 1476,1477, &end # # 82 PHE QE 94 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1293,1297, igr2= 1473,1474, &end # # 82 PHE QE 94 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1293,1297, igr2= 1476,1477, &end # # 82 PHE QE 94 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1293,1297, igr2= 1482,1483, &end # # 83 SER H 83 SER QB &rst iat= 1303, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1307,1308, &end # # 83 SER HA 83 SER QB &rst iat= 1305, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1307,1308, &end # # 83 SER H 84 LEU H &rst iat= 1303,1314, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 83 SER H 84 LEU HA &rst iat= 1303,1316, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 83 SER H 84 LEU QB &rst iat= 1303, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1318,1319, &end # # 83 SER H 84 LEU QD &rst iat= 1303, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1323,1324,1325,1327,1328,1329, &end # # 83 SER QB 84 LEU H &rst iat= -1,1314, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1307,1308, &end # # 83 SER QB 84 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1307,1308, igr2= 1323,1324,1325,1327,1328,1329, &end # # 83 SER H 85 LEU H &rst iat= 1303,1333, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 83 SER HA 85 LEU H &rst iat= 1305,1333, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 83 SER QB 85 LEU H &rst iat= -1,1333, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1307,1308, &end # # 83 SER H 90 LYS QG &rst iat= 1303, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1410,1411, &end # # 83 SER H 90 LYS QD &rst iat= 1303, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1413,1414, &end # # 83 SER H 90 LYS QE &rst iat= 1303, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1416,1417, &end # # 83 SER HA 90 LYS QB &rst iat= 1305, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1407,1408, &end # # 83 SER HA 90 LYS QD &rst iat= 1305, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1413,1414, &end # # 83 SER HA 90 LYS QE &rst iat= 1305, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1416,1417, &end # # 83 SER QB 90 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1307,1308, igr2= 1416,1417, &end # # 84 LEU H 84 LEU QB &rst iat= 1314, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1318,1319, &end # # 84 LEU H 84 LEU QD &rst iat= 1314, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1323,1324,1325,1327,1328,1329, &end # # 84 LEU HA 84 LEU QD &rst iat= 1316, -1, r1= 0, r2= 0, r3= 3.78, r4= 4.455, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1323,1324,1325,1327,1328,1329, &end # # 84 LEU QB 84 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.6872, r4= 5.4432, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1318,1319, igr2= 1323,1324,1325,1327,1328,1329, &end # # 84 LEU H 85 LEU H &rst iat= 1314,1333, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 84 LEU H 85 LEU HA &rst iat= 1314,1335, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 84 LEU H 85 LEU QB &rst iat= 1314, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1337,1338, &end # # 84 LEU H 85 LEU QD &rst iat= 1314, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1342,1343,1344,1346,1347,1348, &end # # 84 LEU QB 85 LEU H &rst iat= -1,1333, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1318,1319, &end # # 84 LEU QD 85 LEU H &rst iat= -1,1333, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1323,1324,1325,1327,1328,1329, &end # # 84 LEU QD 85 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.477, r4= 10.3883, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1323,1324,1325,1327,1328,1329, igr2= 1342,1343,1344,1346,1347,1348, &end # # 84 LEU H 90 LYS QE &rst iat= 1314, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1416,1417, &end # # 85 LEU H 85 LEU QD &rst iat= 1333, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1342,1343,1344,1346,1347,1348, &end # # 85 LEU HA 85 LEU QD &rst iat= 1335, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1342,1343,1344,1346,1347,1348, &end # # 85 LEU QB 85 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1337,1338, igr2= 1342,1343,1344,1346,1347,1348, &end # # 85 LEU H 86 ALA H &rst iat= 1333,1352, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 LEU HA 86 ALA H &rst iat= 1335,1352, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 LEU HA 86 ALA HA &rst iat= 1335,1354, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 LEU HA 86 ALA QB &rst iat= 1335, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1356,1357,1358, &end # # 85 LEU QB 86 ALA H &rst iat= -1,1352, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1337,1338, &end # # 85 LEU QD 86 ALA H &rst iat= -1,1352, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1342,1343,1344,1346,1347,1348, &end # # 85 LEU QD 86 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.776, r4= 8.586, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1342,1343,1344,1346,1347,1348, igr2= 1356,1357,1358, &end # # 85 LEU QB 89 ASP H &rst iat= -1,1391, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1337,1338, &end # # 85 LEU QB 89 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1337,1338, igr2= 1395,1396, &end # # 85 LEU QD 89 ASP H &rst iat= -1,1391, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1342,1343,1344,1346,1347,1348, &end # # 85 LEU QD 89 ASP HA &rst iat= -1,1393, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1342,1343,1344,1346,1347,1348, &end # # 85 LEU QD 89 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1342,1343,1344,1346,1347,1348, igr2= 1395,1396, &end # # 85 LEU H 90 LYS QG &rst iat= 1333, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1410,1411, &end # # 85 LEU H 90 LYS QD &rst iat= 1333, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1413,1414, &end # # 85 LEU H 90 LYS QE &rst iat= 1333, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1416,1417, &end # # 85 LEU QB 90 LYS H &rst iat= -1,1403, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1337,1338, &end # # 85 LEU QB 90 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1337,1338, igr2= 1410,1411, &end # # 85 LEU QB 90 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1337,1338, igr2= 1413,1414, &end # # 85 LEU QD 90 LYS H &rst iat= -1,1403, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1342,1343,1344,1346,1347,1348, &end # # 85 LEU QD 90 LYS HA &rst iat= -1,1405, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1342,1343,1344,1346,1347,1348, &end # # 85 LEU QD 90 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1342,1343,1344,1346,1347,1348, igr2= 1410,1411, &end # # 85 LEU QD 90 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1342,1343,1344,1346,1347,1348, igr2= 1413,1414, &end # # 85 LEU QD 93 LEU H &rst iat= -1,1450, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1342,1343,1344,1346,1347,1348, &end # # 85 LEU QD 93 LEU HG &rst iat= -1,1457, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1342,1343,1344,1346,1347,1348, &end # # 85 LEU QD 93 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1965, r4= 7.10775, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1342,1343,1344,1346,1347,1348, igr2= 1459,1460,1461,1463,1464,1465, &end # # 86 ALA H 86 ALA QB &rst iat= 1352, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1356,1357,1358, &end # # 86 ALA HA 87 THR HA &rst iat= 1354,1364, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 ALA QB 87 THR H &rst iat= -1,1362, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358, &end # # 86 ALA QB 87 THR HA &rst iat= -1,1364, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358, &end # # 86 ALA QB 87 THR HB &rst iat= -1,1366, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358, &end # # 86 ALA HA 88 GLU H &rst iat= 1354,1376, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 ALA HA 88 GLU QG &rst iat= 1354, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1383,1384, &end # # 86 ALA QB 88 GLU H &rst iat= -1,1376, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358, &end # # 86 ALA QB 88 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358, igr2= 1380,1381, &end # # 86 ALA QB 88 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358, igr2= 1383,1384, &end # # 86 ALA H 89 ASP H &rst iat= 1352,1391, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 ALA H 89 ASP QB &rst iat= 1352, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1395,1396, &end # # 86 ALA HA 89 ASP H &rst iat= 1354,1391, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 ALA QB 89 ASP H &rst iat= -1,1391, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358, &end # # 86 ALA QB 89 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358, igr2= 1395,1396, &end # # 86 ALA H 90 LYS H &rst iat= 1352,1403, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 ALA H 90 LYS QD &rst iat= 1352, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1413,1414, &end # # 86 ALA HA 90 LYS QD &rst iat= 1354, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1413,1414, &end # # 86 ALA QB 90 LYS H &rst iat= -1,1403, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357,1358, &end # # 87 THR H 87 THR QG2 &rst iat= 1362, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1368,1369,1370, &end # # 87 THR HA 87 THR QG2 &rst iat= 1364, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1368,1369,1370, &end # # 87 THR H 88 GLU H &rst iat= 1362,1376, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 THR HB 88 GLU H &rst iat= 1366,1376, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 THR HB 88 GLU QB &rst iat= 1366, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1380,1381, &end # # 87 THR QG2 88 GLU H &rst iat= -1,1376, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1368,1369,1370, &end # # 87 THR QG2 88 GLU HA &rst iat= -1,1378, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1368,1369,1370, &end # # 87 THR H 89 ASP H &rst iat= 1362,1391, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 THR H 89 ASP QB &rst iat= 1362, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1395,1396, &end # # 87 THR HA 89 ASP H &rst iat= 1364,1391, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 THR HB 89 ASP H &rst iat= 1366,1391, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 THR QG2 89 ASP H &rst iat= -1,1391, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1368,1369,1370, &end # # 87 THR H 90 LYS H &rst iat= 1362,1403, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 THR H 90 LYS QE &rst iat= 1362, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1416,1417, &end # # 87 THR HA 90 LYS QB &rst iat= 1364, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1407,1408, &end # # 87 THR HA 90 LYS QD &rst iat= 1364, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1413,1414, &end # # 87 THR HA 90 LYS QE &rst iat= 1364, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1416,1417, &end # # 87 THR QG2 90 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1368,1369,1370, igr2= 1416,1417, &end # # 87 THR HA 91 GLU QG &rst iat= 1364, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1432,1433, &end # # 87 THR QG2 91 GLU H &rst iat= -1,1425, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1368,1369,1370, &end # # 87 THR QG2 91 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1368,1369,1370, igr2= 1432,1433, &end # # 88 GLU H 88 GLU QB &rst iat= 1376, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1380,1381, &end # # 88 GLU H 88 GLU QG &rst iat= 1376, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1383,1384, &end # # 88 GLU HA 88 GLU QB &rst iat= 1378, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1380,1381, &end # # 88 GLU H 89 ASP H &rst iat= 1376,1391, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 GLU H 89 ASP QB &rst iat= 1376, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1395,1396, &end # # 88 GLU QB 89 ASP H &rst iat= -1,1391, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1380,1381, &end # # 88 GLU QB 89 ASP HA &rst iat= -1,1393, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1380,1381, &end # # 88 GLU QG 89 ASP H &rst iat= -1,1391, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1383,1384, &end # # 88 GLU QG 89 ASP HA &rst iat= -1,1393, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1383,1384, &end # # 88 GLU H 90 LYS H &rst iat= 1376,1403, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 GLU H 90 LYS QD &rst iat= 1376, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1413,1414, &end # # 88 GLU HA 90 LYS H &rst iat= 1378,1403, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 GLU H 91 GLU H &rst iat= 1376,1425, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 GLU H 91 GLU QG &rst iat= 1376, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1432,1433, &end # # 88 GLU HA 91 GLU H &rst iat= 1378,1425, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 GLU HA 91 GLU QG &rst iat= 1378, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1432,1433, &end # # 88 GLU HA 92 ALA H &rst iat= 1378,1440, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 GLU QG 92 ALA H &rst iat= -1,1440, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1383,1384, &end # # 89 ASP H 89 ASP QB &rst iat= 1391, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1395,1396, &end # # 89 ASP H 90 LYS H &rst iat= 1391,1403, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 ASP H 90 LYS QB &rst iat= 1391, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1407,1408, &end # # 89 ASP H 90 LYS QG &rst iat= 1391, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1410,1411, &end # # 89 ASP QB 90 LYS H &rst iat= -1,1403, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1395,1396, &end # # 89 ASP QB 90 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1395,1396, igr2= 1410,1411, &end # # 89 ASP H 91 GLU H &rst iat= 1391,1425, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 ASP HA 91 GLU H &rst iat= 1393,1425, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 ASP QB 91 GLU H &rst iat= -1,1425, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1395,1396, &end # # 89 ASP H 92 ALA H &rst iat= 1391,1440, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 ASP HA 92 ALA H &rst iat= 1393,1440, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 ASP HA 92 ALA HA &rst iat= 1393,1442, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 ASP HA 92 ALA QB &rst iat= 1393, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1444,1445,1446, &end # # 89 ASP QB 92 ALA H &rst iat= -1,1440, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1395,1396, &end # # 89 ASP QB 92 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1395,1396, igr2= 1444,1445,1446, &end # # 89 ASP HA 93 LEU H &rst iat= 1393,1450, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 ASP HA 93 LEU QD &rst iat= 1393, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1459,1460,1461,1463,1464,1465, &end # # 89 ASP QB 93 LEU H &rst iat= -1,1450, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1395,1396, &end # # 89 ASP QB 93 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1395,1396, igr2= 1459,1460,1461,1463,1464,1465, &end # # 90 LYS H 90 LYS QB &rst iat= 1403, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1407,1408, &end # # 90 LYS H 90 LYS QG &rst iat= 1403, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1410,1411, &end # # 90 LYS H 90 LYS QD &rst iat= 1403, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1413,1414, &end # # 90 LYS HA 90 LYS QD &rst iat= 1405, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1413,1414, &end # # 90 LYS HA 90 LYS QE &rst iat= 1405, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1416,1417, &end # # 90 LYS QB 90 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1407,1408, igr2= 1413,1414, &end # # 90 LYS QB 90 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1407,1408, igr2= 1416,1417, &end # # 90 LYS QG 90 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1410,1411, igr2= 1416,1417, &end # # 90 LYS QB 91 GLU H &rst iat= -1,1425, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1407,1408, &end # # 90 LYS QG 91 GLU H &rst iat= -1,1425, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1410,1411, &end # # 90 LYS QE 91 GLU H &rst iat= -1,1425, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1416,1417, &end # # 90 LYS H 92 ALA H &rst iat= 1403,1440, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 LYS HA 92 ALA H &rst iat= 1405,1440, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 LYS QB 92 ALA H &rst iat= -1,1440, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1407,1408, &end # # 90 LYS H 93 LEU H &rst iat= 1403,1450, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 LYS H 93 LEU QD &rst iat= 1403, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1459,1460,1461,1463,1464,1465, &end # # 90 LYS HA 93 LEU H &rst iat= 1405,1450, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 LYS HA 93 LEU QB &rst iat= 1405, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1454,1455, &end # # 90 LYS HA 93 LEU QD &rst iat= 1405, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1459,1460,1461,1463,1464,1465, &end # # 90 LYS QB 93 LEU H &rst iat= -1,1450, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1407,1408, &end # # 90 LYS QB 93 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1407,1408, igr2= 1459,1460,1461,1463,1464,1465, &end # # 90 LYS QG 93 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1410,1411, igr2= 1459,1460,1461,1463,1464,1465, &end # # 90 LYS HA 94 LYS H &rst iat= 1405,1469, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 91 GLU H 91 GLU QB &rst iat= 1425, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1429,1430, &end # # 91 GLU H 91 GLU QG &rst iat= 1425, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1432,1433, &end # # 91 GLU HA 91 GLU QG &rst iat= 1427, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1432,1433, &end # # 91 GLU QB 91 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1429,1430, igr2= 1432,1433, &end # # 91 GLU H 92 ALA H &rst iat= 1425,1440, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 91 GLU H 92 ALA HA &rst iat= 1425,1442, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 91 GLU H 92 ALA QB &rst iat= 1425, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1444,1445,1446, &end # # 91 GLU QB 92 ALA H &rst iat= -1,1440, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1429,1430, &end # # 91 GLU QB 92 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1429,1430, igr2= 1444,1445,1446, &end # # 91 GLU QG 92 ALA H &rst iat= -1,1440, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1432,1433, &end # # 91 GLU H 93 LEU H &rst iat= 1425,1450, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 91 GLU H 93 LEU QD &rst iat= 1425, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1459,1460,1461,1463,1464,1465, &end # # 91 GLU HA 93 LEU H &rst iat= 1427,1450, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 91 GLU HA 94 LYS H &rst iat= 1427,1469, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 91 GLU HA 94 LYS QB &rst iat= 1427, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1473,1474, &end # # 91 GLU HA 94 LYS QG &rst iat= 1427, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1476,1477, &end # # 91 GLU HA 94 LYS QE &rst iat= 1427, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1482,1483, &end # # 91 GLU QG 94 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1432,1433, igr2= 1482,1483, &end # # 91 GLU HA 95 LYS H &rst iat= 1427,1491, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 92 ALA H 92 ALA QB &rst iat= 1440, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1444,1445,1446, &end # # 92 ALA H 93 LEU H &rst iat= 1440,1450, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 92 ALA H 93 LEU QD &rst iat= 1440, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1459,1460,1461,1463,1464,1465, &end # # 92 ALA QB 93 LEU H &rst iat= -1,1450, r1= 0, r2= 0, r3= 3.84, r4= 4.44, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1444,1445,1446, &end # # 92 ALA QB 93 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.128, r4= 7.938, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1444,1445,1446, igr2= 1459,1460,1461,1463,1464,1465, &end # # 92 ALA H 94 LYS H &rst iat= 1440,1469, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 92 ALA H 95 LYS H &rst iat= 1440,1491, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 92 ALA H 95 LYS QG &rst iat= 1440, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1498,1499, &end # # 92 ALA HA 95 LYS H &rst iat= 1442,1491, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 92 ALA HA 95 LYS QB &rst iat= 1442, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1495,1496, &end # # 92 ALA HA 95 LYS QE &rst iat= 1442, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1504,1505, &end # # 92 ALA QB 95 LYS H &rst iat= -1,1491, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1444,1445,1446, &end # # 92 ALA QB 95 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1444,1445,1446, igr2= 1495,1496, &end # # 92 ALA QB 95 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1444,1445,1446, igr2= 1504,1505, &end # # 93 LEU H 93 LEU QB &rst iat= 1450, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1454,1455, &end # # 93 LEU H 93 LEU HG &rst iat= 1450,1457, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 93 LEU H 93 LEU QD &rst iat= 1450, -1, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1459,1460,1461,1463,1464,1465, &end # # 93 LEU HA 93 LEU QD &rst iat= 1452, -1, r1= 0, r2= 0, r3= 3.915, r4= 4.59, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1459,1460,1461,1463,1464,1465, &end # # 93 LEU QB 93 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1454,1455, igr2= 1459,1460,1461,1463,1464,1465, &end # # 93 LEU H 94 LYS H &rst iat= 1450,1469, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 93 LEU H 94 LYS HA &rst iat= 1450,1471, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 93 LEU H 94 LYS QG &rst iat= 1450, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1476,1477, &end # # 93 LEU QB 94 LYS H &rst iat= -1,1469, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1454,1455, &end # # 93 LEU QB 94 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1454,1455, igr2= 1476,1477, &end # # 93 LEU QD 94 LYS H &rst iat= -1,1469, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1459,1460,1461,1463,1464,1465, &end # # 93 LEU H 95 LYS QB &rst iat= 1450, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1495,1496, &end # # 93 LEU QB 95 LYS H &rst iat= -1,1491, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1454,1455, &end # # 93 LEU QD 95 LYS H &rst iat= -1,1491, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1459,1460,1461,1463,1464,1465, &end # # 93 LEU QD 96 GLN H &rst iat= -1,1513, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1459,1460,1461,1463,1464,1465, &end # # 94 LYS H 94 LYS QB &rst iat= 1469, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1473,1474, &end # # 94 LYS H 94 LYS QG &rst iat= 1469, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1476,1477, &end # # 94 LYS H 94 LYS QE &rst iat= 1469, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1482,1483, &end # # 94 LYS HA 94 LYS QG &rst iat= 1471, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1476,1477, &end # # 94 LYS H 95 LYS H &rst iat= 1469,1491, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 94 LYS H 95 LYS HA &rst iat= 1469,1493, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 94 LYS QG 95 LYS H &rst iat= -1,1491, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1476,1477, &end # # 94 LYS QE 95 LYS H &rst iat= -1,1491, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1482,1483, &end # # 94 LYS H 96 GLN H &rst iat= 1469,1513, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 94 LYS HA 96 GLN H &rst iat= 1471,1513, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 94 LYS H 97 LEU H &rst iat= 1469,1530, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 94 LYS HA 97 LEU H &rst iat= 1471,1530, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 94 LYS H 98 PRO HA &rst iat= 1469,1559, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 94 LYS HA 98 PRO HA &rst iat= 1471,1559, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 94 LYS HA 99 GLY H &rst iat= 1471,1563, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 95 LYS H 95 LYS QB &rst iat= 1491, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1495,1496, &end # # 95 LYS H 95 LYS QG &rst iat= 1491, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1498,1499, &end # # 95 LYS HA 95 LYS QG &rst iat= 1493, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1498,1499, &end # # 95 LYS HA 95 LYS QE &rst iat= 1493, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1504,1505, &end # # 95 LYS QG 95 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1498,1499, igr2= 1504,1505, &end # # 95 LYS QB 96 GLN H &rst iat= -1,1513, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1495,1496, &end # # 95 LYS QG 96 GLN H &rst iat= -1,1513, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1498,1499, &end # # 95 LYS HA 97 LEU H &rst iat= 1493,1530, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 95 LYS H 98 PRO HA &rst iat= 1491,1559, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 95 LYS H 98 PRO QB &rst iat= 1491, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1556,1557, &end # # 95 LYS HA 98 PRO QB &rst iat= 1493, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1556,1557, &end # # 96 GLN H 96 GLN QB &rst iat= 1513, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1517,1518, &end # # 96 GLN H 96 GLN QG &rst iat= 1513, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1520,1521, &end # # 96 GLN HA 96 GLN QB &rst iat= 1515, -1, r1= 0, r2= 0, r3= 3.136, r4= 3.696, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1517,1518, &end # # 96 GLN HA 96 GLN QG &rst iat= 1515, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1520,1521, &end # # 96 GLN H 97 LEU H &rst iat= 1513,1530, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 96 GLN H 97 LEU HA &rst iat= 1513,1532, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 96 GLN H 97 LEU QD &rst iat= 1513, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1539,1540,1541,1543,1544,1545, &end # # 96 GLN QB 97 LEU H &rst iat= -1,1530, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1517,1518, &end # # 96 GLN QB 97 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1517,1518, igr2= 1534,1535, &end # # 96 GLN QB 97 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1517,1518, igr2= 1539,1540,1541,1543,1544,1545, &end # # 96 GLN H 98 PRO QG &rst iat= 1513, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1553,1554, &end # # 96 GLN H 98 PRO QD &rst iat= 1513, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1550,1551, &end # # 96 GLN HA 98 PRO QD &rst iat= 1515, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1550,1551, &end # # 97 LEU H 97 LEU QB &rst iat= 1530, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1534,1535, &end # # 97 LEU H 97 LEU QD &rst iat= 1530, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1539,1540,1541,1543,1544,1545, &end # # 97 LEU HA 97 LEU QD &rst iat= 1532, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1539,1540,1541,1543,1544,1545, &end # # 97 LEU QB 97 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1534,1535, igr2= 1539,1540,1541,1543,1544,1545, &end # # 97 LEU H 98 PRO HA &rst iat= 1530,1559, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 97 LEU H 98 PRO QB &rst iat= 1530, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1556,1557, &end # # 97 LEU H 98 PRO QD &rst iat= 1530, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1550,1551, &end # # 97 LEU HA 98 PRO QD &rst iat= 1532, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1550,1551, &end # # 98 PRO HA 99 GLY H &rst iat= 1559,1563, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 98 PRO HA 99 GLY QA &rst iat= 1559, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1565,1566, &end # # 98 PRO QB 99 GLY H &rst iat= -1,1563, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1556,1557, &end # # 98 PRO QG 99 GLY H &rst iat= -1,1563, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1553,1554, &end # # 99 GLY H 100 VAL H &rst iat= 1563,1570, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 99 GLY H 100 VAL QG &rst iat= 1563, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1576,1577,1578,1580,1581,1582, &end # # 99 GLY QA 100 VAL H &rst iat= -1,1570, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1565,1566, &end # # 99 GLY QA 100 VAL HA &rst iat= -1,1572, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1565,1566, &end # # 99 GLY QA 100 VAL HB &rst iat= -1,1574, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1565,1566, &end # # 99 GLY QA 100 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1565,1566, igr2= 1576,1577,1578,1580,1581,1582, &end # # 100 VAL H 100 VAL HB &rst iat= 1570,1574, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 100 VAL H 100 VAL QG &rst iat= 1570, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1576,1577,1578,1580,1581,1582, &end # # 100 VAL HA 100 VAL QG &rst iat= 1572, -1, r1= 0, r2= 0, r3= 3.915, r4= 4.59, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1576,1577,1578,1580,1581,1582, &end # # 100 VAL H 101 LYS H &rst iat= 1570,1586, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 100 VAL HA 101 LYS H &rst iat= 1572,1586, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 100 VAL HA 101 LYS QG &rst iat= 1572, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1593,1594, &end # # 100 VAL HB 101 LYS H &rst iat= 1574,1586, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 100 VAL QG 101 LYS H &rst iat= -1,1586, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1576,1577,1578,1580,1581,1582, &end # # 100 VAL QG 101 LYS HA &rst iat= -1,1588, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1576,1577,1578,1580,1581,1582, &end # # 100 VAL QG 101 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1576,1577,1578,1580,1581,1582, igr2= 1593,1594, &end # # 100 VAL HA 102 SER H &rst iat= 1572,1608, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 100 VAL HB 102 SER H &rst iat= 1574,1608, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 100 VAL QG 102 SER H &rst iat= -1,1608, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1576,1577,1578,1580,1581,1582, &end # # 100 VAL QG 102 SER HA &rst iat= -1,1610, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1576,1577,1578,1580,1581,1582, &end # # 100 VAL QG 102 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1576,1577,1578,1580,1581,1582, igr2= 1612,1613, &end # # 101 LYS H 101 LYS QB &rst iat= 1586, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1590,1591, &end # # 101 LYS H 101 LYS QG &rst iat= 1586, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1593,1594, &end # # 101 LYS QB 102 SER H &rst iat= -1,1608, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1590,1591, &end # # 101 LYS H 103 GLU H &rst iat= 1586,1619, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 101 LYS HA 103 GLU H &rst iat= 1588,1619, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 101 LYS QG 103 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1593,1594, igr2= 1623,1624, &end # # 101 LYS QG 104 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1593,1594, igr2= 1636,1637, &end # # 101 LYS QG 105 LYS H &rst iat= -1,1641, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1593,1594, &end # # 101 LYS QG 106 ARG H &rst iat= -1,1663, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1593,1594, &end # # 102 SER HA 102 SER QB &rst iat= 1610, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1612,1613, &end # # 102 SER QB 103 GLU H &rst iat= -1,1619, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1612,1613, &end # # 103 GLU H 103 GLU QG &rst iat= 1619, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1626,1627, &end # # 103 GLU QB 103 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1623,1624, igr2= 1626,1627, &end # # 103 GLU HA 104 GLY QA &rst iat= 1621, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1636,1637, &end # # 103 GLU QB 104 GLY H &rst iat= -1,1634, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1623,1624, &end # # 103 GLU QB 104 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1623,1624, igr2= 1636,1637, &end # # 103 GLU QG 105 LYS H &rst iat= -1,1641, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1626,1627, &end # # 104 GLY H 106 ARG H &rst iat= 1634,1663, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 105 LYS H 106 ARG HA &rst iat= 1641,1665, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 105 LYS HA 106 ARG H &rst iat= 1643,1663, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 105 LYS QB 106 ARG H &rst iat= -1,1663, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1645,1646, &end # # 106 ARG H 107 LYS H &rst iat= 1663,1687, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 106 ARG QB 107 LYS H &rst iat= -1,1687, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1667,1668, &end # # 107 LYS HA 108 GLY QA &rst iat= 1689, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1711,1712, &end # # 107 LYS QB 108 GLY H &rst iat= -1,1709, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1691,1692, &end # # 107 LYS HA 109 ASP H &rst iat= 1689,1716, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 107 LYS QB 109 ASP H &rst iat= -1,1716, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1691,1692, &end # # 108 GLY QA 109 ASP HA &rst iat= -1,1718, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1711,1712, &end # # 108 GLY QA 109 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1711,1712, igr2= 1720,1721, &end # # 108 GLY H 110 GLU H &rst iat= 1709,1728, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 108 GLY QA 110 GLU H &rst iat= -1,1728, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1711,1712, &end # # 108 GLY QA 110 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1711,1712, igr2= 1735,1736, &end # # 109 ASP H 109 ASP QB &rst iat= 1716, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1720,1721, &end # # 109 ASP H 110 GLU H &rst iat= 1716,1728, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 109 ASP H 110 GLU HA &rst iat= 1716,1730, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 109 ASP HA 110 GLU HA &rst iat= 1718,1730, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 109 ASP QB 110 GLU H &rst iat= -1,1728, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1720,1721, &end # # 110 GLU H 110 GLU QB &rst iat= 1728, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1732,1733, &end # # 110 GLU HA 110 GLU QG &rst iat= 1730, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1735,1736, &end # # 110 GLU QB 110 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.38688, r4= 4.01408, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1732,1733, igr2= 1735,1736, &end # # 110 GLU H 111 VAL H &rst iat= 1728,1743, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 110 GLU HA 111 VAL H &rst iat= 1730,1743, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 110 GLU QB 111 VAL H &rst iat= -1,1743, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1732,1733, &end # # 110 GLU QG 111 VAL H &rst iat= -1,1743, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1735,1736, &end # # 110 GLU H 112 ASP QB &rst iat= 1728, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1763,1764, &end # # 110 GLU HA 112 ASP H &rst iat= 1730,1759, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 110 GLU QB 112 ASP H &rst iat= -1,1759, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1732,1733, &end # # 111 VAL H 111 VAL QG &rst iat= 1743, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1749,1750,1751,1753,1754,1755, &end # # 111 VAL HA 112 ASP H &rst iat= 1745,1759, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 111 VAL HB 112 ASP H &rst iat= 1747,1759, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end #
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