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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620800 |
5nr6   |
34127 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: MATB_noes_amber.rst # 2 SER HA 3 HIS H &rst iat= 13,22, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 2 SER HA 3 HIS QB &rst iat= 13, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 26,27, &end # # 2 SER QB 3 HIS H &rst iat= -1,22, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 15,16, &end # # 2 SER QB 4 MET H &rst iat= -1,39, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 15,16, &end # # 2 SER QB 4 MET QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 15,16, igr2= 43,44, &end # # 2 SER QB 4 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= 15,16, igr2= 46,47, &end # # 3 HIS H 3 HIS QB &rst iat= 22, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 26,27, &end # # 3 HIS H 3 HIS HD2 &rst iat= 22,35, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 3 HIS HA 3 HIS HD2 &rst iat= 24,35, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 3 HIS H 4 MET H &rst iat= 22,39, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 3 HIS HA 4 MET H &rst iat= 24,39, r1= 0, r2= 0, r3= 2.8, r4= 3.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 3 HIS HA 4 MET HA &rst iat= 24,41, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 3 HIS HA 4 MET QB &rst iat= 24, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 43,44, &end # # 3 HIS HA 4 MET QG &rst iat= 24, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 46,47, &end # # 3 HIS QB 4 MET H &rst iat= -1,39, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 26,27, &end # # 3 HIS QB 4 MET HA &rst iat= -1,41, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 26,27, &end # # 3 HIS HD2 4 MET H &rst iat= 35,39, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 3 HIS HA 5 ALA H &rst iat= 24,56, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 3 HIS QB 5 ALA H &rst iat= -1,56, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 26,27, &end # # 3 HIS HD2 5 ALA HA &rst iat= 35,58, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 4 MET H 4 MET QB &rst iat= 39, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 43,44, &end # # 4 MET H 4 MET QG &rst iat= 39, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 46,47, &end # # 4 MET HA 4 MET QG &rst iat= 41, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 46,47, &end # # 4 MET H 5 ALA HA &rst iat= 39,58, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 4 MET H 5 ALA QB &rst iat= 39, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 60,61,62, &end # # 4 MET HA 5 ALA H &rst iat= 41,56, r1= 0, r2= 0, r3= 2.7, r4= 3.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 4 MET HA 5 ALA QB &rst iat= 41, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 60,61,62, &end # # 4 MET QB 5 ALA H &rst iat= -1,56, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 43,44, &end # # 4 MET QG 5 ALA H &rst iat= -1,56, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 46,47, &end # # 4 MET HA 6 SER H &rst iat= 41,66, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 5 ALA H 5 ALA QB &rst iat= 56, -1, r1= 0, r2= 0, r3= 3.6, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 60,61,62, &end # # 5 ALA H 6 SER H &rst iat= 56,66, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 5 ALA H 6 SER QB &rst iat= 56, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 70,71, &end # # 5 ALA HA 6 SER QB &rst iat= 58, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 70,71, &end # # 5 ALA QB 6 SER H &rst iat= -1,66, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 60,61,62, &end # # 5 ALA HA 7 MET H &rst iat= 58,77, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 5 ALA HA 7 MET QG &rst iat= 58, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 84,85, &end # # 5 ALA QB 7 MET H &rst iat= -1,77, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 60,61,62, &end # # 5 ALA HA 8 ASP H &rst iat= 58,94, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 5 ALA HA 8 ASP QB &rst iat= 58, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 98,99, &end # # 5 ALA QB 8 ASP H &rst iat= -1,94, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 60,61,62, &end # # 5 ALA QB 8 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 60,61,62, igr2= 98,99, &end # # 6 SER H 6 SER QB &rst iat= 66, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 70,71, &end # # 6 SER H 7 MET H &rst iat= 66,77, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 6 SER H 7 MET QG &rst iat= 66, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 84,85, &end # # 6 SER HA 7 MET QB &rst iat= 68, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 81,82, &end # # 6 SER QB 7 MET H &rst iat= -1,77, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 70,71, &end # # 6 SER QB 7 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= 70,71, igr2= 84,85, &end # # 6 SER H 8 ASP QB &rst iat= 66, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 98,99, &end # # 6 SER HA 8 ASP H &rst iat= 68,94, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 6 SER H 9 GLN H &rst iat= 66,106, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 6 SER H 9 GLN QB &rst iat= 66, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 110,111, &end # # 6 SER HA 9 GLN H &rst iat= 68,106, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 6 SER HA 9 GLN QB &rst iat= 68, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 110,111, &end # # 6 SER HA 9 GLN QE &rst iat= 68, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 118,119, &end # # 7 MET H 7 MET QB &rst iat= 77, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 81,82, &end # # 7 MET H 7 MET QG &rst iat= 77, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 84,85, &end # # 7 MET HA 7 MET QG &rst iat= 79, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 84,85, &end # # 7 MET H 8 ASP H &rst iat= 77,94, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 MET H 8 ASP QB &rst iat= 77, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 98,99, &end # # 7 MET HA 8 ASP H &rst iat= 79,94, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 MET HA 8 ASP QB &rst iat= 79, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 98,99, &end # # 7 MET QB 8 ASP H &rst iat= -1,94, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 81,82, &end # # 7 MET QB 8 ASP HA &rst iat= -1,96, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 81,82, &end # # 7 MET QG 8 ASP H &rst iat= -1,94, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 84,85, &end # # 7 MET H 9 GLN QE &rst iat= 77, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 118,119, &end # # 7 MET HA 9 GLN H &rst iat= 79,106, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 MET QG 9 GLN H &rst iat= -1,106, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 84,85, &end # # 7 MET H 10 LEU QD &rst iat= 77, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 132,133,134,136,137,138, &end # # 7 MET HA 10 LEU H &rst iat= 79,123, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 MET HA 10 LEU QB &rst iat= 79, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 127,128, &end # # 7 MET HA 10 LEU QD &rst iat= 79, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 132,133,134,136,137,138, &end # # 7 MET QG 10 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= 84,85, igr2= 132,133,134,136,137,138, &end # # 8 ASP H 8 ASP QB &rst iat= 94, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 98,99, &end # # 8 ASP H 9 GLN H &rst iat= 94,106, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 ASP QB 9 GLN H &rst iat= -1,106, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 98,99, &end # # 8 ASP H 10 LEU QD &rst iat= 94, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 132,133,134,136,137,138, &end # # 8 ASP HA 10 LEU H &rst iat= 96,123, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 GLN H 9 GLN QB &rst iat= 106, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 110,111, &end # # 9 GLN H 9 GLN QE &rst iat= 106, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 118,119, &end # # 9 GLN HA 9 GLN QE &rst iat= 108, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 118,119, &end # # 9 GLN QB 9 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 110,111, igr2= 118,119, &end # # 9 GLN H 10 LEU H &rst iat= 106,123, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 GLN HA 10 LEU QD &rst iat= 108, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 132,133,134,136,137,138, &end # # 9 GLN QB 10 LEU H &rst iat= -1,123, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 110,111, &end # # 9 GLN QE 10 LEU HA &rst iat= -1,125, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 118,119, &end # # 9 GLN QE 10 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= 118,119, igr2= 127,128, &end # # 10 LEU H 10 LEU QB &rst iat= 123, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 127,128, &end # # 10 LEU H 10 LEU QD &rst iat= 123, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 132,133,134,136,137,138, &end # # 10 LEU HA 10 LEU QD &rst iat= 125, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 132,133,134,136,137,138, &end # # 10 LEU H 11 ASP QB &rst iat= 123, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 146,147, &end # # 10 LEU HA 11 ASP QB &rst iat= 125, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 146,147, &end # # 10 LEU QB 11 ASP HA &rst iat= -1,144, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 127,128, &end # # 10 LEU QD 11 ASP H &rst iat= -1,142, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 132,133,134,136,137,138, &end # # 10 LEU HA 12 GLU H &rst iat= 125,154, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 ASP H 11 ASP QB &rst iat= 142, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 146,147, &end # # 11 ASP H 12 GLU H &rst iat= 142,154, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 ASP HA 12 GLU HA &rst iat= 144,156, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 ASP QB 12 GLU H &rst iat= -1,154, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 146,147, &end # # 11 ASP QB 12 GLU HA &rst iat= -1,156, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 146,147, &end # # 11 ASP QB 12 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 146,147, igr2= 158,159, &end # # 11 ASP H 13 ILE QG1 &rst iat= 142, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 179,180, &end # # 11 ASP H 13 ILE QD1 &rst iat= 142, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 182,183,184, &end # # 11 ASP HA 13 ILE QG1 &rst iat= 144, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 179,180, &end # # 12 GLU H 12 GLU QB &rst iat= 154, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 158,159, &end # # 12 GLU H 12 GLU QG &rst iat= 154, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 161,162, &end # # 12 GLU HA 12 GLU QB &rst iat= 156, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 158,159, &end # # 12 GLU HA 12 GLU QG &rst iat= 156, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 161,162, &end # # 12 GLU QB 12 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 158,159, igr2= 161,162, &end # # 12 GLU H 13 ILE QD1 &rst iat= 154, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 182,183,184, &end # # 12 GLU QB 13 ILE H &rst iat= -1,169, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 158,159, &end # # 12 GLU QG 13 ILE H &rst iat= -1,169, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 161,162, &end # # 12 GLU QG 13 ILE HA &rst iat= -1,171, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 161,162, &end # # 12 GLU QG 13 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 161,162, igr2= 179,180, &end # # 12 GLU QG 13 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 161,162, igr2= 182,183,184, &end # # 13 ILE H 13 ILE HB &rst iat= 169,173, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 ILE H 13 ILE QG1 &rst iat= 169, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 179,180, &end # # 13 ILE H 13 ILE QD1 &rst iat= 169, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 182,183,184, &end # # 13 ILE HA 13 ILE QD1 &rst iat= 171, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 182,183,184, &end # # 13 ILE HB 13 ILE QD1 &rst iat= 173, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 182,183,184, &end # # 14 ILE HA 14 ILE QG1 &rst iat= 190, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 198,199, &end # # 14 ILE HA 15 GLU HA &rst iat= 190,209, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 ILE HB 15 GLU H &rst iat= 192,207, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 ILE QG1 15 GLU H &rst iat= -1,207, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 198,199, &end # # 14 ILE QG2 15 GLU H &rst iat= -1,207, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 194,195,196, &end # # 14 ILE QG2 15 GLU HA &rst iat= -1,209, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 194,195,196, &end # # 15 GLU H 15 GLU QG &rst iat= 207, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 214,215, &end # # 16 GLN HA 16 GLN QG &rst iat= 224, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 229,230, &end # # 16 GLN HA 17 ILE QG2 &rst iat= 224, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 245,246,247, &end # # 16 GLN QB 17 ILE H &rst iat= -1,239, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 226,227, &end # # 16 GLN QB 17 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 226,227, igr2= 249,250, &end # # 16 GLN QB 17 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= 226,227, igr2= 245,246,247, &end # # 16 GLN QG 17 ILE H &rst iat= -1,239, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 229,230, &end # # 16 GLN QG 17 ILE HA &rst iat= -1,241, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 229,230, &end # # 16 GLN QG 17 ILE HB &rst iat= -1,243, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 229,230, &end # # 16 GLN QG 17 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 229,230, igr2= 249,250, &end # # 16 GLN QG 17 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 229,230, igr2= 245,246,247, &end # # 16 GLN QG 17 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 229,230, igr2= 252,253,254, &end # # 16 GLN HA 18 GLN QE &rst iat= 224, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 270,271, &end # # 16 GLN QB 18 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 226,227, igr2= 270,271, &end # # 17 ILE H 17 ILE HB &rst iat= 239,243, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 ILE H 17 ILE QG1 &rst iat= 239, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 249,250, &end # # 17 ILE H 17 ILE QG2 &rst iat= 239, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 245,246,247, &end # # 17 ILE HA 17 ILE QG2 &rst iat= 241, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 245,246,247, &end # # 17 ILE QG2 17 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 245,246,247, igr2= 249,250, &end # # 17 ILE H 18 GLN H &rst iat= 239,258, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 ILE H 18 GLN QE &rst iat= 239, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 270,271, &end # # 17 ILE HA 18 GLN QB &rst iat= 241, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 262,263, &end # # 17 ILE HB 18 GLN H &rst iat= 243,258, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 ILE QG1 18 GLN H &rst iat= -1,258, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 249,250, &end # # 17 ILE QG2 18 GLN H &rst iat= -1,258, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 245,246,247, &end # # 17 ILE QG2 18 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 245,246,247, igr2= 270,271, &end # # 18 GLN H 18 GLN QG &rst iat= 258, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 265,266, &end # # 18 GLN QG 18 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 265,266, igr2= 270,271, &end # # 18 GLN QB 19 LYS H &rst iat= -1,275, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 262,263, &end # # 18 GLN QG 19 LYS H &rst iat= -1,275, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 265,266, &end # # 18 GLN H 20 GLU H &rst iat= 258,297, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 GLN QE 20 GLU HA &rst iat= -1,299, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 270,271, &end # # 18 GLN QE 20 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 270,271, igr2= 301,302, &end # # 19 LYS H 19 LYS QB &rst iat= 275, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 279,280, &end # # 19 LYS H 19 LYS QE &rst iat= 275, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 288,289, &end # # 19 LYS HA 19 LYS QE &rst iat= 277, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 288,289, &end # # 19 LYS QB 19 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= 279,280, igr2= 288,289, &end # # 19 LYS H 20 GLU QG &rst iat= 275, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 304,305, &end # # 20 GLU H 20 GLU QB &rst iat= 297, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 301,302, &end # # 20 GLU H 20 GLU QG &rst iat= 297, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 304,305, &end # # 20 GLU H 21 ALA H &rst iat= 297,312, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 20 GLU H 21 ALA QB &rst iat= 297, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 316,317,318, &end # # 20 GLU HA 21 ALA H &rst iat= 299,312, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 20 GLU HA 21 ALA QB &rst iat= 299, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 316,317,318, &end # # 20 GLU QB 21 ALA H &rst iat= -1,312, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 301,302, &end # # 20 GLU QB 21 ALA HA &rst iat= -1,314, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 301,302, &end # # 20 GLU QB 21 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= 301,302, igr2= 316,317,318, &end # # 20 GLU QG 21 ALA H &rst iat= -1,312, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 304,305, &end # # 20 GLU QG 21 ALA HA &rst iat= -1,314, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 304,305, &end # # 20 GLU QG 21 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= 304,305, igr2= 316,317,318, &end # # 20 GLU HA 22 ILE H &rst iat= 299,322, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 20 GLU HA 23 ASN H &rst iat= 299,341, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 20 GLU HA 23 ASN QB &rst iat= 299, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 345,346, &end # # 20 GLU HA 23 ASN QD &rst iat= 299, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 350,351, &end # # 20 GLU QB 23 ASN H &rst iat= -1,341, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 301,302, &end # # 20 GLU QB 23 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 301,302, igr2= 345,346, &end # # 20 GLU QB 23 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 301,302, igr2= 350,351, &end # # 21 ALA H 21 ALA QB &rst iat= 312, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 316,317,318, &end # # 21 ALA H 22 ILE H &rst iat= 312,322, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 ALA HA 22 ILE HA &rst iat= 314,324, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 ALA HA 22 ILE HB &rst iat= 314,326, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 ALA QB 22 ILE H &rst iat= -1,322, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 316,317,318, &end # # 21 ALA QB 22 ILE HA &rst iat= -1,324, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 316,317,318, &end # # 21 ALA HA 23 ASN H &rst iat= 314,341, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 ALA QB 23 ASN H &rst iat= -1,341, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 316,317,318, &end # # 21 ALA QB 23 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 316,317,318, igr2= 350,351, &end # # 21 ALA QB 24 SER H &rst iat= -1,355, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 316,317,318, &end # # 22 ILE H 22 ILE HB &rst iat= 322,326, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 ILE H 22 ILE QG1 &rst iat= 322, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 332,333, &end # # 22 ILE H 22 ILE QG2 &rst iat= 322, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 328,329,330, &end # # 22 ILE H 22 ILE QD1 &rst iat= 322, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 335,336,337, &end # # 22 ILE HA 22 ILE QG1 &rst iat= 324, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 332,333, &end # # 22 ILE HA 22 ILE QG2 &rst iat= 324, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 328,329,330, &end # # 22 ILE H 23 ASN H &rst iat= 322,341, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 ILE H 23 ASN QB &rst iat= 322, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 345,346, &end # # 22 ILE HA 23 ASN H &rst iat= 324,341, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 ILE HA 23 ASN HA &rst iat= 324,343, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 ILE HA 23 ASN QB &rst iat= 324, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 345,346, &end # # 22 ILE HA 23 ASN QD &rst iat= 324, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 350,351, &end # # 22 ILE HB 23 ASN H &rst iat= 326,341, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 ILE HB 23 ASN HA &rst iat= 326,343, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 ILE QG1 23 ASN H &rst iat= -1,341, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 332,333, &end # # 22 ILE QG2 23 ASN H &rst iat= -1,341, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 328,329,330, &end # # 22 ILE QG2 23 ASN HA &rst iat= -1,343, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 328,329,330, &end # # 22 ILE HA 24 SER H &rst iat= 324,355, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 ILE HB 24 SER H &rst iat= 326,355, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 ILE QG2 24 SER H &rst iat= -1,355, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 328,329,330, &end # # 22 ILE H 25 ASN QD &rst iat= 322, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 375,376, &end # # 22 ILE HA 25 ASN H &rst iat= 324,366, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 22 ILE HA 25 ASN QB &rst iat= 324, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 370,371, &end # # 22 ILE HA 25 ASN QD &rst iat= 324, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 375,376, &end # # 22 ILE HB 25 ASN QD &rst iat= 326, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 375,376, &end # # 22 ILE QG1 25 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 332,333, igr2= 370,371, &end # # 22 ILE QG2 25 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 328,329,330, igr2= 370,371, &end # # 22 ILE QG1 25 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 332,333, igr2= 375,376, &end # # 22 ILE QG2 25 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 328,329,330, igr2= 375,376, &end # # 23 ASN H 23 ASN QB &rst iat= 341, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 345,346, &end # # 23 ASN H 23 ASN QD &rst iat= 341, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 350,351, &end # # 23 ASN HA 23 ASN QD &rst iat= 343, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 350,351, &end # # 23 ASN QB 23 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 345,346, igr2= 350,351, &end # # 23 ASN H 24 SER H &rst iat= 341,355, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 ASN H 24 SER HA &rst iat= 341,357, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 ASN HA 24 SER H &rst iat= 343,355, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 ASN QB 24 SER H &rst iat= -1,355, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 345,346, &end # # 23 ASN QB 24 SER HA &rst iat= -1,357, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 345,346, &end # # 23 ASN QD 24 SER H &rst iat= -1,355, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 350,351, &end # # 23 ASN H 25 ASN QD &rst iat= 341, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 375,376, &end # # 23 ASN HA 26 VAL HB &rst iat= 343,384, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 SER H 24 SER QB &rst iat= 355, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 359,360, &end # # 24 SER H 25 ASN H &rst iat= 355,366, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 SER H 25 ASN QD &rst iat= 355, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 375,376, &end # # 24 SER HA 25 ASN HA &rst iat= 357,368, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 SER QB 25 ASN H &rst iat= -1,366, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 359,360, &end # # 24 SER QB 25 ASN HA &rst iat= -1,368, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 359,360, &end # # 24 SER H 26 VAL H &rst iat= 355,380, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 SER H 26 VAL HB &rst iat= 355,384, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 SER HA 26 VAL H &rst iat= 357,380, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 SER QB 26 VAL H &rst iat= -1,380, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 359,360, &end # # 24 SER HA 27 VAL H &rst iat= 357,396, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 SER HA 27 VAL HB &rst iat= 357,400, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 ASN H 25 ASN QB &rst iat= 366, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 370,371, &end # # 25 ASN H 25 ASN QD &rst iat= 366, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 375,376, &end # # 25 ASN HA 25 ASN QD &rst iat= 368, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 375,376, &end # # 25 ASN QB 25 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 370,371, igr2= 375,376, &end # # 25 ASN H 26 VAL H &rst iat= 366,380, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 ASN H 26 VAL HB &rst iat= 366,384, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 ASN H 26 VAL QG &rst iat= 366, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 386,387,388,390,391,392, &end # # 25 ASN HA 26 VAL H &rst iat= 368,380, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 ASN HA 26 VAL HA &rst iat= 368,382, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 ASN QB 26 VAL H &rst iat= -1,380, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 370,371, &end # # 25 ASN QD 26 VAL H &rst iat= -1,380, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 375,376, &end # # 25 ASN QD 26 VAL HA &rst iat= -1,382, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 375,376, &end # # 25 ASN QD 26 VAL HB &rst iat= -1,384, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 375,376, &end # # 25 ASN QD 26 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= 375,376, igr2= 386,387,388,390,391,392, &end # # 25 ASN HA 27 VAL H &rst iat= 368,396, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 ASN HA 28 LEU H &rst iat= 368,412, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 ASN HA 28 LEU QB &rst iat= 368, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 416,417, &end # # 25 ASN HA 28 LEU QD &rst iat= 368, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 421,422,423,425,426,427, &end # # 25 ASN QB 28 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= 370,371, igr2= 416,417, &end # # 25 ASN QB 28 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= 370,371, igr2= 421,422,423,425,426,427, &end # # 26 VAL H 26 VAL HB &rst iat= 380,384, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 VAL H 26 VAL QG &rst iat= 380, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.995, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 386,387,388,390,391,392, &end # # 26 VAL H 27 VAL H &rst iat= 380,396, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 VAL H 28 LEU H &rst iat= 380,412, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 VAL H 28 LEU QB &rst iat= 380, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 416,417, &end # # 27 VAL H 27 VAL HB &rst iat= 396,400, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 VAL H 27 VAL QG &rst iat= 396, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 402,403,404,406,407,408, &end # # 27 VAL HA 27 VAL QG &rst iat= 398, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 402,403,404,406,407,408, &end # # 27 VAL H 28 LEU H &rst iat= 396,412, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 VAL H 28 LEU QB &rst iat= 396, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 416,417, &end # # 27 VAL HA 28 LEU H &rst iat= 398,412, r1= 0, r2= 0, r3= 2.6, r4= 3.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 VAL HA 28 LEU HA &rst iat= 398,414, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 VAL HA 28 LEU QB &rst iat= 398, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 416,417, &end # # 27 VAL HB 28 LEU HA &rst iat= 400,414, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 VAL QG 28 LEU H &rst iat= -1,412, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404,406,407,408, &end # # 27 VAL QG 28 LEU HA &rst iat= -1,414, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 402,403,404,406,407,408, &end # # 28 LEU H 28 LEU QB &rst iat= 412, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 416,417, &end # # 28 LEU HA 28 LEU QD &rst iat= 414, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 421,422,423,425,426,427, &end # # 28 LEU QB 28 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= 416,417, igr2= 421,422,423,425,426,427, &end # # 28 LEU HA 29 LYS H &rst iat= 414,431, r1= 0, r2= 0, r3= 2.8, r4= 3.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 28 LEU HA 29 LYS QB &rst iat= 414, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 435,436, &end # # 28 LEU QB 29 LYS H &rst iat= -1,431, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 416,417, &end # # 28 LEU QB 29 LYS HA &rst iat= -1,433, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 416,417, &end # # 28 LEU QD 29 LYS H &rst iat= -1,431, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 421,422,423,425,426,427, &end # # 28 LEU HA 30 ASN H &rst iat= 414,453, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 28 LEU QB 30 ASN H &rst iat= -1,453, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 416,417, &end # # 28 LEU QD 30 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 421,422,423,425,426,427, igr2= 457,458, &end # # 28 LEU QB 31 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 416,417, igr2= 468,469, &end # # 28 LEU QD 31 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 421,422,423,425,426,427, igr2= 471,472, &end # # 29 LYS H 29 LYS QB &rst iat= 431, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 435,436, &end # # 29 LYS H 29 LYS QG &rst iat= 431, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 438,439, &end # # 29 LYS H 30 ASN H &rst iat= 431,453, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 29 LYS H 30 ASN HA &rst iat= 431,455, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 29 LYS H 30 ASN QB &rst iat= 431, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 457,458, &end # # 29 LYS HA 30 ASN H &rst iat= 433,453, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 29 LYS HA 30 ASN QB &rst iat= 433, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 457,458, &end # # 29 LYS QB 30 ASN H &rst iat= -1,453, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 435,436, &end # # 29 LYS QG 30 ASN H &rst iat= -1,453, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 438,439, &end # # 29 LYS H 31 PRO QD &rst iat= 431, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 468,469, &end # # 29 LYS HA 31 PRO QD &rst iat= 433, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 468,469, &end # # 29 LYS QB 31 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 435,436, igr2= 468,469, &end # # 29 LYS QG 31 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 438,439, igr2= 468,469, &end # # 30 ASN H 30 ASN QB &rst iat= 453, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 457,458, &end # # 30 ASN H 30 ASN QD &rst iat= 453, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 462,463, &end # # 30 ASN HA 30 ASN QD &rst iat= 455, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 462,463, &end # # 30 ASN QB 30 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 457,458, igr2= 462,463, &end # # 30 ASN H 31 PRO QG &rst iat= 453, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 471,472, &end # # 30 ASN H 31 PRO QD &rst iat= 453, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 468,469, &end # # 30 ASN HA 31 PRO QD &rst iat= 455, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 468,469, &end # # 30 ASN QB 31 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 457,458, igr2= 468,469, &end # # 30 ASN QD 31 PRO HA &rst iat= -1,477, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 462,463, &end # # 30 ASN QD 31 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 462,463, igr2= 468,469, &end # # 30 ASN QB 32 ARG H &rst iat= -1,481, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 457,458, &end # # 30 ASN QD 32 ARG H &rst iat= -1,481, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 462,463, &end # # 30 ASN QD 32 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 462,463, igr2= 485,486, &end # # 30 ASN QD 32 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 462,463, igr2= 488,489, &end # # 30 ASN QD 32 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 462,463, igr2= 491,492, &end # # 30 ASN QB 33 VAL H &rst iat= -1,505, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 457,458, &end # # 30 ASN QD 33 VAL H &rst iat= -1,505, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 462,463, &end # # 31 PRO HA 32 ARG H &rst iat= 477,481, r1= 0, r2= 0, r3= 2.7, r4= 3.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 31 PRO HA 32 ARG HA &rst iat= 477,483, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 31 PRO HA 32 ARG QB &rst iat= 477, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 485,486, &end # # 31 PRO HA 32 ARG QG &rst iat= 477, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 488,489, &end # # 31 PRO QB 32 ARG H &rst iat= -1,481, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 474,475, &end # # 31 PRO HA 33 VAL H &rst iat= 477,505, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 32 ARG H 32 ARG QB &rst iat= 481, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 485,486, &end # # 32 ARG H 32 ARG QG &rst iat= 481, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 488,489, &end # # 32 ARG HA 32 ARG QG &rst iat= 483, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 488,489, &end # # 32 ARG HA 32 ARG QD &rst iat= 483, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 491,492, &end # # 32 ARG QB 32 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 485,486, igr2= 491,492, &end # # 32 ARG H 33 VAL H &rst iat= 481,505, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 32 ARG H 33 VAL QG &rst iat= 481, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 511,512,513,515,516,517, &end # # 32 ARG HA 33 VAL HA &rst iat= 483,507, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 32 ARG HA 33 VAL QG &rst iat= 483, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 511,512,513,515,516,517, &end # # 32 ARG QB 33 VAL H &rst iat= -1,505, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 485,486, &end # # 32 ARG QB 33 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 485,486, igr2= 511,512,513,515,516,517, &end # # 32 ARG QG 33 VAL H &rst iat= -1,505, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 488,489, &end # # 32 ARG QD 33 VAL H &rst iat= -1,505, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 491,492, &end # # 33 VAL H 33 VAL HB &rst iat= 505,509, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 33 VAL H 33 VAL QG &rst iat= 505, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 511,512,513,515,516,517, &end # # 33 VAL HA 33 VAL QG &rst iat= 507, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 511,512,513,515,516,517, &end # # 33 VAL H 34 PRO QG &rst iat= 505, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 525,526, &end # # 33 VAL H 34 PRO QD &rst iat= 505, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 522,523, &end # # 33 VAL HA 34 PRO QB &rst iat= 507, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 528,529, &end # # 33 VAL HA 34 PRO QG &rst iat= 507, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 525,526, &end # # 33 VAL HA 34 PRO QD &rst iat= 507, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 522,523, &end # # 33 VAL QG 34 PRO HA &rst iat= -1,531, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 511,512,513,515,516,517, &end # # 33 VAL QG 34 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 511,512,513,515,516,517, igr2= 525,526, &end # # 33 VAL QG 34 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 511,512,513,515,516,517, igr2= 522,523, &end # # 33 VAL QG 35 THR H &rst iat= -1,535, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 511,512,513,515,516,517, &end # # 33 VAL QG 35 THR HA &rst iat= -1,537, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 511,512,513,515,516,517, &end # # 33 VAL QG 36 GLN H &rst iat= -1,549, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 511,512,513,515,516,517, &end # # 33 VAL QG 36 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 511,512,513,515,516,517, igr2= 561,562, &end # # 34 PRO HA 35 THR H &rst iat= 531,535, r1= 0, r2= 0, r3= 2.7, r4= 3.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 PRO HA 35 THR HA &rst iat= 531,537, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 PRO HA 35 THR QG2 &rst iat= 531, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 541,542,543, &end # # 34 PRO QB 35 THR H &rst iat= -1,535, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 528,529, &end # # 34 PRO QB 35 THR HB &rst iat= -1,539, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 528,529, &end # # 34 PRO QB 35 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 528,529, igr2= 541,542,543, &end # # 34 PRO QG 35 THR H &rst iat= -1,535, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 525,526, &end # # 34 PRO QD 35 THR H &rst iat= -1,535, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 522,523, &end # # 34 PRO QB 36 GLN H &rst iat= -1,549, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 528,529, &end # # 34 PRO QB 36 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 528,529, igr2= 561,562, &end # # 34 PRO QD 36 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 522,523, igr2= 561,562, &end # # 35 THR H 35 THR HB &rst iat= 535,539, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 35 THR H 35 THR QG2 &rst iat= 535, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 541,542,543, &end # # 35 THR HA 35 THR QG2 &rst iat= 537, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 541,542,543, &end # # 35 THR H 36 GLN H &rst iat= 535,549, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 35 THR HA 36 GLN H &rst iat= 537,549, r1= 0, r2= 0, r3= 2.8, r4= 3.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 35 THR HA 36 GLN HA &rst iat= 537,551, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 35 THR HA 36 GLN QG &rst iat= 537, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 556,557, &end # # 35 THR HA 36 GLN QE &rst iat= 537, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 561,562, &end # # 35 THR QG2 36 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 541,542,543, igr2= 561,562, &end # # 35 THR HA 37 LYS H &rst iat= 537,566, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 35 THR HB 37 LYS H &rst iat= 539,566, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 GLN H 36 GLN QB &rst iat= 549, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 553,554, &end # # 36 GLN H 36 GLN QG &rst iat= 549, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 556,557, &end # # 36 GLN H 36 GLN QE &rst iat= 549, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 561,562, &end # # 36 GLN HA 36 GLN QG &rst iat= 551, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 556,557, &end # # 36 GLN HA 36 GLN QE &rst iat= 551, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 561,562, &end # # 36 GLN QB 36 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 553,554, igr2= 556,557, &end # # 36 GLN QB 36 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 553,554, igr2= 561,562, &end # # 36 GLN QG 36 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557, igr2= 561,562, &end # # 36 GLN H 37 LYS H &rst iat= 549,566, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 GLN HA 37 LYS H &rst iat= 551,566, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 GLN HA 37 LYS QB &rst iat= 551, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 570,571, &end # # 36 GLN QB 37 LYS H &rst iat= -1,566, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 553,554, &end # # 36 GLN QE 37 LYS H &rst iat= -1,566, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 561,562, &end # # 36 GLN HA 38 THR H &rst iat= 551,588, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 GLN HA 38 THR QG2 &rst iat= 551, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 594,595,596, &end # # 36 GLN QB 38 THR H &rst iat= -1,588, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 553,554, &end # # 36 GLN QB 38 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 553,554, igr2= 594,595,596, &end # # 36 GLN QG 38 THR H &rst iat= -1,588, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557, &end # # 36 GLN QG 38 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 556,557, igr2= 594,595,596, &end # # 37 LYS H 37 LYS QB &rst iat= 566, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 570,571, &end # # 37 LYS H 37 LYS QE &rst iat= 566, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 579,580, &end # # 37 LYS HA 37 LYS QG &rst iat= 568, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 573,574, &end # # 37 LYS HA 37 LYS QE &rst iat= 568, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 579,580, &end # # 37 LYS QB 37 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 570,571, igr2= 576,577, &end # # 37 LYS QB 37 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 570,571, igr2= 579,580, &end # # 37 LYS QG 37 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= 573,574, igr2= 579,580, &end # # 37 LYS H 38 THR H &rst iat= 566,588, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 LYS H 38 THR QG2 &rst iat= 566, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 594,595,596, &end # # 37 LYS HA 38 THR H &rst iat= 568,588, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 LYS HA 38 THR HA &rst iat= 568,590, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 LYS HA 38 THR HB &rst iat= 568,592, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 LYS HA 38 THR QG2 &rst iat= 568, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 594,595,596, &end # # 37 LYS QB 38 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 570,571, igr2= 594,595,596, &end # # 37 LYS QE 38 THR H &rst iat= -1,588, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 579,580, &end # # 37 LYS QE 38 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 579,580, igr2= 594,595,596, &end # # 37 LYS QE 39 GLY H &rst iat= -1,602, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 579,580, &end # # 38 THR H 38 THR HB &rst iat= 588,592, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 THR H 38 THR QG2 &rst iat= 588, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 594,595,596, &end # # 38 THR HA 38 THR QG2 &rst iat= 590, -1, r1= 0, r2= 0, r3= 4.08, r4= 4.68, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 594,595,596, &end # # 38 THR H 39 GLY H &rst iat= 588,602, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 THR HA 39 GLY H &rst iat= 590,602, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 THR HA 39 GLY QA &rst iat= 590, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 604,605, &end # # 38 THR HB 39 GLY H &rst iat= 592,602, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 THR QG2 39 GLY H &rst iat= -1,602, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 594,595,596, &end # # 38 THR QG2 39 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 594,595,596, igr2= 604,605, &end # # 38 THR H 40 GLU H &rst iat= 588,609, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 GLY H 40 GLU H &rst iat= 602,609, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 GLY H 40 GLU QB &rst iat= 602, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 613,614, &end # # 39 GLY H 40 GLU QG &rst iat= 602, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 616,617, &end # # 39 GLY QA 40 GLU H &rst iat= -1,609, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 604,605, &end # # 39 GLY QA 40 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= 604,605, igr2= 616,617, &end # # 40 GLU H 40 GLU QB &rst iat= 609, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 613,614, &end # # 40 GLU H 40 GLU QG &rst iat= 609, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 616,617, &end # # 40 GLU HA 40 GLU QG &rst iat= 611, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 616,617, &end # # 40 GLU H 41 LEU H &rst iat= 609,624, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 40 GLU H 41 LEU HA &rst iat= 609,626, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 40 GLU H 41 LEU QD &rst iat= 609, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 633,634,635,637,638,639, &end # # 40 GLU HA 41 LEU QD &rst iat= 611, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 633,634,635,637,638,639, &end # # 40 GLU QB 41 LEU H &rst iat= -1,624, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 613,614, &end # # 40 GLU QB 41 LEU HA &rst iat= -1,626, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 613,614, &end # # 40 GLU QG 41 LEU H &rst iat= -1,624, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 616,617, &end # # 40 GLU HA 41 LEU H &rst iat= 611,624, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 LEU H 41 LEU HG &rst iat= 624,631, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 LEU H 41 LEU QD &rst iat= 624, -1, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 633,634,635,637,638,639, &end # # 41 LEU HA 41 LEU QD &rst iat= 626, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 633,634,635,637,638,639, &end # # 41 LEU H 42 SER H &rst iat= 624,643, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 LEU HG 42 SER H &rst iat= 631,643, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 LEU QD 42 SER H &rst iat= -1,643, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635,637,638,639, &end # # 41 LEU QD 43 GLU H &rst iat= -1,654, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635,637,638,639, &end # # 41 LEU QD 45 GLN H &rst iat= -1,684, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635,637,638,639, &end # # 41 LEU QD 45 GLN HA &rst iat= -1,686, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635,637,638,639, &end # # 41 LEU QD 45 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635,637,638,639, igr2= 688,689, &end # # 41 LEU QD 45 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635,637,638,639, igr2= 691,692, &end # # 41 LEU QD 45 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635,637,638,639, igr2= 696,697, &end # # 41 LEU H 46 LYS QE &rst iat= 624, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 714,715, &end # # 41 LEU HA 46 LYS H &rst iat= 626,701, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 LEU HA 46 LYS QE &rst iat= 626, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 714,715, &end # # 41 LEU HG 46 LYS QE &rst iat= 631, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 714,715, &end # # 41 LEU QD 46 LYS H &rst iat= -1,701, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635,637,638,639, &end # # 41 LEU QD 46 LYS HA &rst iat= -1,703, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635,637,638,639, &end # # 41 LEU QD 46 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635,637,638,639, igr2= 708,709, &end # # 41 LEU QD 46 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635,637,638,639, igr2= 714,715, &end # # 41 LEU QD 47 LYS H &rst iat= -1,723, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635,637,638,639, &end # # 41 LEU HG 49 VAL QG &rst iat= 631, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 770,771,772,774,775,776, &end # # 41 LEU QD 49 VAL H &rst iat= -1,764, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635,637,638,639, &end # # 41 LEU QD 49 VAL HB &rst iat= -1,768, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635,637,638,639, &end # # 41 LEU QD 49 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.37875, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635,637,638,639, igr2= 770,771,772,774,775,776, &end # # 41 LEU QD 70 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= 633,634,635,637,638,639, igr2= 1095,1096,1097,1099,1100,1101, &end # # 41 LEU QD 80 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635,637,638,639, igr2= 1256,1265, &end # # 41 LEU QD 80 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9896, r4= 5.7456, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635,637,638,639, igr2= 1258,1263, &end # # 41 LEU HA 42 SER H &rst iat= 626,643, r1= 0, r2= 0, r3= 2.3, r4= 2.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 LEU QD 46 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= 633,634,635,637,638,639, igr2= 711,712, &end # # 41 LEU QD 46 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= 633,634,635,637,638,639, igr2= 705,706, &end # # 41 LEU QD 72 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.29, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635,637,638,639, igr2= 1125,1126,1127, &end # # 41 LEU QD 72 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.29, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 633,634,635,637,638,639, igr2= 1132,1133,1134, &end # # 42 SER H 43 GLU QB &rst iat= 643, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 658,659, &end # # 42 SER HA 43 GLU HA &rst iat= 645,656, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 SER HA 43 GLU QB &rst iat= 645, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 658,659, &end # # 42 SER HA 43 GLU QG &rst iat= 645, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 661,662, &end # # 42 SER QB 43 GLU H &rst iat= -1,654, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 647,648, &end # # 42 SER QB 43 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 647,648, igr2= 658,659, &end # # 42 SER QB 43 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= 647,648, igr2= 661,662, &end # # 42 SER H 44 GLU H &rst iat= 643,669, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 SER HA 44 GLU H &rst iat= 645,669, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 SER H 45 GLN H &rst iat= 643,684, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 SER H 45 GLN HA &rst iat= 643,686, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 SER H 45 GLN QE &rst iat= 643, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 696,697, &end # # 42 SER H 46 LYS H &rst iat= 643,701, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 SER H 46 LYS QE &rst iat= 643, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 714,715, &end # # 42 SER H 70 LEU QD &rst iat= 643, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1095,1096,1097,1099,1100,1101, &end # # 42 SER H 43 GLU H &rst iat= 643,654, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 SER HA 43 GLU H &rst iat= 645,654, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 SER HA 45 GLN H &rst iat= 645,684, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 GLU H 43 GLU QB &rst iat= 654, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 658,659, &end # # 43 GLU H 43 GLU QG &rst iat= 654, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 661,662, &end # # 43 GLU HA 43 GLU QG &rst iat= 656, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 661,662, &end # # 43 GLU H 44 GLU H &rst iat= 654,669, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 GLU QB 44 GLU H &rst iat= -1,669, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 658,659, &end # # 43 GLU QG 44 GLU H &rst iat= -1,669, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 661,662, &end # # 43 GLU H 45 GLN H &rst iat= 654,684, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 GLU QB 45 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 658,659, igr2= 696,697, &end # # 43 GLU H 46 LYS H &rst iat= 654,701, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 GLU H 46 LYS QD &rst iat= 654, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 711,712, &end # # 43 GLU H 46 LYS QE &rst iat= 654, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 714,715, &end # # 43 GLU HA 46 LYS H &rst iat= 656,701, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 GLU HA 46 LYS QG &rst iat= 656, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 708,709, &end # # 43 GLU HA 46 LYS QD &rst iat= 656, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 711,712, &end # # 43 GLU HA 46 LYS QE &rst iat= 656, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 714,715, &end # # 43 GLU QG 46 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 661,662, igr2= 711,712, &end # # 43 GLU QG 46 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= 661,662, igr2= 714,715, &end # # 43 GLU HA 47 LYS H &rst iat= 656,723, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 GLU QG 47 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= 661,662, igr2= 736,737, &end # # 43 GLU HA 44 GLU H &rst iat= 656,669, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 GLU H 44 GLU QB &rst iat= 669, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 673,674, &end # # 44 GLU H 44 GLU QG &rst iat= 669, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 676,677, &end # # 44 GLU HA 44 GLU QG &rst iat= 671, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 676,677, &end # # 44 GLU H 45 GLN H &rst iat= 669,684, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 GLU H 45 GLN QE &rst iat= 669, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 696,697, &end # # 44 GLU QB 45 GLN H &rst iat= -1,684, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 673,674, &end # # 44 GLU QB 45 GLN HA &rst iat= -1,686, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 673,674, &end # # 44 GLU QG 45 GLN H &rst iat= -1,684, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 676,677, &end # # 44 GLU HA 46 LYS H &rst iat= 671,701, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 GLU H 47 LYS H &rst iat= 669,723, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 GLU H 47 LYS QG &rst iat= 669, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 730,731, &end # # 44 GLU H 47 LYS QD &rst iat= 669, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 733,734, &end # # 44 GLU H 47 LYS QE &rst iat= 669, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 736,737, &end # # 44 GLU HA 47 LYS H &rst iat= 671,723, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 GLU HA 47 LYS QB &rst iat= 671, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 727,728, &end # # 44 GLU HA 47 LYS QG &rst iat= 671, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 730,731, &end # # 44 GLU HA 47 LYS QD &rst iat= 671, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 733,734, &end # # 44 GLU HA 47 LYS QE &rst iat= 671, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 736,737, &end # # 44 GLU QB 47 LYS H &rst iat= -1,723, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 673,674, &end # # 44 GLU QG 47 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 676,677, igr2= 727,728, &end # # 44 GLU QG 47 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 676,677, igr2= 733,734, &end # # 44 GLU H 48 ILE QD1 &rst iat= 669, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 758,759,760, &end # # 44 GLU HA 48 ILE H &rst iat= 671,745, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 GLU HA 48 ILE QD1 &rst iat= 671, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 758,759,760, &end # # 44 GLU QB 48 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= 673,674, igr2= 758,759,760, &end # # 44 GLU QG 48 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 676,677, igr2= 758,759,760, &end # # 44 GLU HA 45 GLN H &rst iat= 671,684, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 45 GLN H 45 GLN QG &rst iat= 684, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 691,692, &end # # 45 GLN H 45 GLN QE &rst iat= 684, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 696,697, &end # # 45 GLN HA 45 GLN QE &rst iat= 686, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 696,697, &end # # 45 GLN H 46 LYS H &rst iat= 684,701, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 45 GLN H 46 LYS HA &rst iat= 684,703, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 45 GLN H 46 LYS QD &rst iat= 684, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 711,712, &end # # 45 GLN QB 46 LYS H &rst iat= -1,701, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 688,689, &end # # 45 GLN H 47 LYS H &rst iat= 684,723, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 45 GLN QB 47 LYS H &rst iat= -1,723, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 688,689, &end # # 45 GLN H 48 ILE QD1 &rst iat= 684, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 758,759,760, &end # # 45 GLN HA 48 ILE HB &rst iat= 686,749, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 45 GLN HA 48 ILE QG2 &rst iat= 686, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 751,752,753, &end # # 45 GLN HA 48 ILE QD1 &rst iat= 686, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 758,759,760, &end # # 45 GLN QG 48 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 691,692, igr2= 758,759,760, &end # # 45 GLN QE 48 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 696,697, igr2= 758,759,760, &end # # 45 GLN H 70 LEU QD &rst iat= 684, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1095,1096,1097,1099,1100,1101, &end # # 45 GLN HA 70 LEU QD &rst iat= 686, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1095,1096,1097,1099,1100,1101, &end # # 45 GLN QB 70 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= 688,689, igr2= 1095,1096,1097,1099,1100,1101, &end # # 45 GLN QG 70 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= 691,692, igr2= 1095,1096,1097,1099,1100,1101, &end # # 45 GLN QE 70 LEU HA &rst iat= -1,1088, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 696,697, &end # # 45 GLN QE 70 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= 696,697, igr2= 1090,1091, &end # # 45 GLN QE 70 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= 696,697, igr2= 1095,1096,1097,1099,1100,1101, &end # # 45 GLN HA 46 LYS H &rst iat= 686,701, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 LYS H 46 LYS QG &rst iat= 701, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 708,709, &end # # 46 LYS H 46 LYS QD &rst iat= 701, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 711,712, &end # # 46 LYS H 46 LYS QE &rst iat= 701, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 714,715, &end # # 46 LYS HA 46 LYS QD &rst iat= 703, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 711,712, &end # # 46 LYS HA 46 LYS QE &rst iat= 703, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 714,715, &end # # 46 LYS H 47 LYS H &rst iat= 701,723, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 LYS QG 47 LYS H &rst iat= -1,723, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 708,709, &end # # 46 LYS QD 47 LYS H &rst iat= -1,723, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 711,712, &end # # 46 LYS HA 48 ILE H &rst iat= 703,745, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 LYS HA 48 ILE QD1 &rst iat= 703, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 758,759,760, &end # # 46 LYS H 49 VAL HB &rst iat= 701,768, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 LYS H 49 VAL QG &rst iat= 701, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 770,771,772,774,775,776, &end # # 46 LYS HA 49 VAL H &rst iat= 703,764, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 LYS HA 49 VAL HB &rst iat= 703,768, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 LYS HA 49 VAL QG &rst iat= 703, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 770,771,772,774,775,776, &end # # 46 LYS H 50 ALA H &rst iat= 701,780, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 LYS HA 50 ALA H &rst iat= 703,780, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 LYS HA 50 ALA QB &rst iat= 703, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 784,785,786, &end # # 46 LYS QG 50 ALA H &rst iat= -1,780, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 708,709, &end # # 46 LYS QD 50 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= 711,712, igr2= 784,785,786, &end # # 46 LYS QG 51 ASP H &rst iat= -1,790, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 708,709, &end # # 46 LYS H 70 LEU QD &rst iat= 701, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1095,1096,1097,1099,1100,1101, &end # # 46 LYS HA 47 LYS H &rst iat= 703,723, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 LYS QE 47 LYS H &rst iat= -1,723, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 714,715, &end # # 47 LYS H 47 LYS QB &rst iat= 723, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 727,728, &end # # 47 LYS H 47 LYS QG &rst iat= 723, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 730,731, &end # # 47 LYS H 47 LYS QD &rst iat= 723, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 733,734, &end # # 47 LYS H 47 LYS QE &rst iat= 723, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 736,737, &end # # 47 LYS HA 47 LYS QG &rst iat= 725, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 730,731, &end # # 47 LYS HA 47 LYS QD &rst iat= 725, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 733,734, &end # # 47 LYS QB 47 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= 727,728, igr2= 736,737, &end # # 47 LYS H 48 ILE HA &rst iat= 723,747, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 47 LYS H 48 ILE QG1 &rst iat= 723, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 755,756, &end # # 47 LYS H 48 ILE QD1 &rst iat= 723, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 758,759,760, &end # # 47 LYS HA 48 ILE QD1 &rst iat= 725, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 758,759,760, &end # # 47 LYS QB 48 ILE H &rst iat= -1,745, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 727,728, &end # # 47 LYS QB 48 ILE HA &rst iat= -1,747, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 727,728, &end # # 47 LYS QG 48 ILE H &rst iat= -1,745, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 730,731, &end # # 47 LYS QG 48 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 730,731, igr2= 758,759,760, &end # # 47 LYS H 49 VAL H &rst iat= 723,764, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 47 LYS H 50 ALA H &rst iat= 723,780, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 47 LYS HA 50 ALA H &rst iat= 725,780, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 47 LYS HA 50 ALA QB &rst iat= 725, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 784,785,786, &end # # 47 LYS HA 51 ASP H &rst iat= 725,790, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 47 LYS HA 48 ILE H &rst iat= 725,745, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 ILE H 48 ILE QG1 &rst iat= 745, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 755,756, &end # # 48 ILE H 48 ILE QG2 &rst iat= 745, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 751,752,753, &end # # 48 ILE H 48 ILE QD1 &rst iat= 745, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 758,759,760, &end # # 48 ILE HA 48 ILE QD1 &rst iat= 747, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 758,759,760, &end # # 48 ILE QG2 48 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 751,752,753, igr2= 758,759,760, &end # # 48 ILE H 49 VAL H &rst iat= 745,764, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 ILE H 49 VAL QG &rst iat= 745, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 770,771,772,774,775,776, &end # # 48 ILE QG2 49 VAL H &rst iat= -1,764, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 751,752,753, &end # # 48 ILE QG2 49 VAL HA &rst iat= -1,766, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 751,752,753, &end # # 48 ILE QG2 49 VAL HB &rst iat= -1,768, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 751,752,753, &end # # 48 ILE QG2 49 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.966, r4= 7.776, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 751,752,753, igr2= 770,771,772,774,775,776, &end # # 48 ILE QD1 49 VAL H &rst iat= -1,764, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 758,759,760, &end # # 48 ILE H 50 ALA H &rst iat= 745,780, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 ILE H 50 ALA QB &rst iat= 745, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 784,785,786, &end # # 48 ILE H 51 ASP H &rst iat= 745,790, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 ILE HA 51 ASP H &rst iat= 747,790, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 ILE HA 51 ASP QB &rst iat= 747, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 794,795, &end # # 48 ILE HA 52 TYR H &rst iat= 747,802, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 ILE QG2 52 TYR H &rst iat= -1,802, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 751,752,753, &end # # 48 ILE QG2 52 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 751,752,753, igr2= 810,819, &end # # 48 ILE QG2 66 LEU HA &rst iat= -1,1012, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 751,752,753, &end # # 48 ILE QG2 68 LYS H &rst iat= -1,1040, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 751,752,753, &end # # 48 ILE QG2 69 ARG H &rst iat= -1,1062, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 751,752,753, &end # # 48 ILE QG2 69 ARG HA &rst iat= -1,1064, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 751,752,753, &end # # 48 ILE QD1 69 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 758,759,760, igr2= 1072,1073, &end # # 48 ILE H 70 LEU QD &rst iat= 745, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1095,1096,1097,1099,1100,1101, &end # # 48 ILE HB 70 LEU QD &rst iat= 749, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1095,1096,1097,1099,1100,1101, &end # # 48 ILE QG2 70 LEU H &rst iat= -1,1086, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 751,752,753, &end # # 48 ILE QG2 70 LEU HA &rst iat= -1,1088, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 751,752,753, &end # # 48 ILE QG2 70 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 751,752,753, igr2= 1090,1091, &end # # 48 ILE QG2 70 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= 751,752,753, igr2= 1095,1096,1097,1099,1100,1101, &end # # 48 ILE QD1 70 LEU HA &rst iat= -1,1088, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 758,759,760, &end # # 48 ILE QD1 70 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 758,759,760, igr2= 1090,1091, &end # # 48 ILE QD1 70 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= 758,759,760, igr2= 1095,1096,1097,1099,1100,1101, &end # # 49 VAL H 49 VAL QG &rst iat= 764, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 770,771,772,774,775,776, &end # # 49 VAL HA 49 VAL QG &rst iat= 766, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 770,771,772,774,775,776, &end # # 49 VAL H 50 ALA HA &rst iat= 764,782, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 VAL H 50 ALA QB &rst iat= 764, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 784,785,786, &end # # 49 VAL HA 50 ALA QB &rst iat= 766, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 784,785,786, &end # # 49 VAL HB 50 ALA H &rst iat= 768,780, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 VAL HB 50 ALA QB &rst iat= 768, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 784,785,786, &end # # 49 VAL QG 50 ALA H &rst iat= -1,780, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 770,771,772,774,775,776, &end # # 49 VAL QG 50 ALA HA &rst iat= -1,782, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 770,771,772,774,775,776, &end # # 49 VAL QG 50 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= 770,771,772,774,775,776, igr2= 784,785,786, &end # # 49 VAL H 51 ASP H &rst iat= 764,790, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 VAL HA 51 ASP H &rst iat= 766,790, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 VAL HB 51 ASP H &rst iat= 768,790, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 VAL QG 51 ASP H &rst iat= -1,790, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 770,771,772,774,775,776, &end # # 49 VAL HA 52 TYR H &rst iat= 766,802, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 VAL HA 52 TYR QD &rst iat= 766, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 810,819, &end # # 49 VAL HB 52 TYR H &rst iat= 768,802, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 VAL QG 52 TYR H &rst iat= -1,802, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 770,771,772,774,775,776, &end # # 49 VAL QG 52 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 770,771,772,774,775,776, igr2= 810,819, &end # # 49 VAL HA 53 ILE H &rst iat= 766,823, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 VAL QG 53 ILE H &rst iat= -1,823, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 770,771,772,774,775,776, &end # # 49 VAL QG 53 ILE HA &rst iat= -1,825, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 770,771,772,774,775,776, &end # # 49 VAL QG 53 ILE HB &rst iat= -1,827, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 770,771,772,774,775,776, &end # # 49 VAL QG 53 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.966, r4= 7.776, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 770,771,772,774,775,776, igr2= 836,837,838, &end # # 49 VAL HA 61 LEU QD &rst iat= 766, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 947,948,949,951,952,953, &end # # 49 VAL QG 61 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 10.0238, r4= 10.935, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 770,771,772,774,775,776, igr2= 947,948,949,951,952,953, &end # # 49 VAL H 70 LEU QD &rst iat= 764, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1095,1096,1097,1099,1100,1101, &end # # 49 VAL HA 70 LEU QD &rst iat= 766, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1095,1096,1097,1099,1100,1101, &end # # 49 VAL HB 70 LEU QD &rst iat= 768, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1095,1096,1097,1099,1100,1101, &end # # 49 VAL QG 70 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.93025, r4= 9.8415, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 770,771,772,774,775,776, igr2= 1095,1096,1097,1099,1100,1101, &end # # 49 VAL QG 80 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 770,771,772,774,775,776, igr2= 1256,1265, &end # # 49 VAL QG 80 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.536, r4= 5.292, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 770,771,772,774,775,776, igr2= 1258,1263, &end # # 49 VAL H 50 ALA H &rst iat= 764,780, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 VAL HA 50 ALA H &rst iat= 766,780, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 ALA H 50 ALA QB &rst iat= 780, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 784,785,786, &end # # 50 ALA H 51 ASP H &rst iat= 780,790, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 ALA H 51 ASP HA &rst iat= 780,792, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 ALA H 51 ASP QB &rst iat= 780, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 794,795, &end # # 50 ALA QB 51 ASP H &rst iat= -1,790, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 784,785,786, &end # # 50 ALA QB 51 ASP HA &rst iat= -1,792, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 784,785,786, &end # # 50 ALA QB 51 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 784,785,786, igr2= 794,795, &end # # 50 ALA HA 52 TYR H &rst iat= 782,802, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 ALA QB 52 TYR H &rst iat= -1,802, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 784,785,786, &end # # 50 ALA H 53 ILE HB &rst iat= 780,827, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 ALA H 53 ILE QD1 &rst iat= 780, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 836,837,838, &end # # 50 ALA HA 53 ILE H &rst iat= 782,823, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 ALA HA 53 ILE HA &rst iat= 782,825, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 ALA HA 53 ILE HB &rst iat= 782,827, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 ALA HA 53 ILE QG2 &rst iat= 782, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 829,830,831, &end # # 50 ALA HA 53 ILE QD1 &rst iat= 782, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 836,837,838, &end # # 50 ALA QB 53 ILE H &rst iat= -1,823, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 784,785,786, &end # # 50 ALA QB 53 ILE HB &rst iat= -1,827, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 784,785,786, &end # # 50 ALA QB 53 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.768, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 784,785,786, igr2= 829,830,831, &end # # 50 ALA QB 53 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.056, r4= 7.776, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 784,785,786, igr2= 836,837,838, &end # # 50 ALA QB 54 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 784,785,786, igr2= 846,847, &end # # 50 ALA HA 51 ASP H &rst iat= 782,790, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 ASP H 52 TYR H &rst iat= 790,802, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 ASP H 52 TYR HA &rst iat= 790,804, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 ASP H 52 TYR QB &rst iat= 790, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 806,807, &end # # 51 ASP QB 52 TYR H &rst iat= -1,802, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 794,795, &end # # 51 ASP H 53 ILE H &rst iat= 790,823, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 ASP H 53 ILE HB &rst iat= 790,827, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 ASP HA 53 ILE H &rst iat= 792,823, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 ASP QB 53 ILE H &rst iat= -1,823, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 794,795, &end # # 51 ASP H 54 SER H &rst iat= 790,842, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 ASP HA 54 SER H &rst iat= 792,842, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 ASP HA 54 SER QB &rst iat= 792, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 846,847, &end # # 51 ASP HA 55 GLU H &rst iat= 792,853, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 ASP HA 52 TYR H &rst iat= 792,802, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 TYR H 52 TYR QD &rst iat= 802, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 810,819, &end # # 52 TYR HA 52 TYR QD &rst iat= 804, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 810,819, &end # # 52 TYR H 53 ILE H &rst iat= 802,823, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 TYR H 53 ILE HA &rst iat= 802,825, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 TYR H 53 ILE HB &rst iat= 802,827, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 TYR QB 53 ILE H &rst iat= -1,823, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 806,807, &end # # 52 TYR QD 53 ILE H &rst iat= -1,823, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 810,819, &end # # 52 TYR QD 53 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= 810,819, igr2= 836,837,838, &end # # 52 TYR HA 54 SER H &rst iat= 804,842, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 TYR QD 54 SER H &rst iat= -1,842, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 810,819, &end # # 52 TYR H 55 GLU H &rst iat= 802,853, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 TYR H 55 GLU QB &rst iat= 802, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 857,858, &end # # 52 TYR HA 55 GLU H &rst iat= 804,853, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 TYR HA 55 GLU QB &rst iat= 804, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 857,858, &end # # 52 TYR HA 55 GLU QG &rst iat= 804, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 860,861, &end # # 52 TYR QB 55 GLU H &rst iat= -1,853, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 806,807, &end # # 52 TYR QD 55 GLU H &rst iat= -1,853, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 810,819, &end # # 52 TYR QD 55 GLU HA &rst iat= -1,855, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 810,819, &end # # 52 TYR QD 55 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= 810,819, igr2= 857,858, &end # # 52 TYR QD 55 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= 810,819, igr2= 860,861, &end # # 52 TYR QE 55 GLU H &rst iat= -1,853, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 812,817, &end # # 52 TYR QE 55 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 812,817, igr2= 857,858, &end # # 52 TYR QD 56 VAL H &rst iat= -1,868, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 810,819, &end # # 52 TYR QD 56 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 810,819, igr2= 874,875,876,878,879,880, &end # # 52 TYR QE 56 VAL H &rst iat= -1,868, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 812,817, &end # # 52 TYR QE 56 VAL HB &rst iat= -1,872, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 812,817, &end # # 52 TYR QE 56 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= 812,817, igr2= 874,875,876,878,879,880, &end # # 52 TYR H 61 LEU QD &rst iat= 802, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 947,948,949,951,952,953, &end # # 52 TYR HA 61 LEU QD &rst iat= 804, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 947,948,949,951,952,953, &end # # 52 TYR QD 61 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= 810,819, igr2= 947,948,949,951,952,953, &end # # 52 TYR QE 61 LEU H &rst iat= -1,938, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 812,817, &end # # 52 TYR QE 61 LEU HA &rst iat= -1,940, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 812,817, &end # # 52 TYR QE 61 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 812,817, igr2= 942,943, &end # # 52 TYR QE 61 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= 812,817, igr2= 947,948,949,951,952,953, &end # # 52 TYR QE 62 ASN H &rst iat= -1,957, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 812,817, &end # # 52 TYR QE 62 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 812,817, igr2= 966,967, &end # # 52 TYR QE 65 GLU H &rst iat= -1,995, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 812,817, &end # # 52 TYR QB 66 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= 806,807, igr2= 1019,1020,1021,1023,1024,1025, &end # # 52 TYR QD 66 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3848, r4= 5.1408, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 810,819, igr2= 1019,1020,1021,1023,1024,1025, &end # # 52 TYR QE 66 LEU H &rst iat= -1,1010, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 812,817, &end # # 52 TYR QE 66 LEU HA &rst iat= -1,1012, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 812,817, &end # # 52 TYR QE 66 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= 812,817, igr2= 1019,1020,1021,1023,1024,1025, &end # # 53 ILE H 53 ILE QG1 &rst iat= 823, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 833,834, &end # # 53 ILE H 53 ILE QG2 &rst iat= 823, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 829,830,831, &end # # 53 ILE H 53 ILE QD1 &rst iat= 823, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 836,837,838, &end # # 53 ILE HA 53 ILE QD1 &rst iat= 825, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 836,837,838, &end # # 53 ILE QG2 53 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.616, r4= 6.336, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 829,830,831, igr2= 836,837,838, &end # # 53 ILE H 54 SER H &rst iat= 823,842, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE H 54 SER HA &rst iat= 823,844, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE H 54 SER QB &rst iat= 823, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 846,847, &end # # 53 ILE HB 54 SER H &rst iat= 827,842, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE HB 54 SER QB &rst iat= 827, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 846,847, &end # # 53 ILE QG2 54 SER H &rst iat= -1,842, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 829,830,831, &end # # 53 ILE QG2 54 SER HA &rst iat= -1,844, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 829,830,831, &end # # 53 ILE QD1 54 SER H &rst iat= -1,842, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 836,837,838, &end # # 53 ILE H 55 GLU H &rst iat= 823,853, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE HA 55 GLU H &rst iat= 825,853, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE HB 55 GLU H &rst iat= 827,853, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE QG2 55 GLU H &rst iat= -1,853, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 829,830,831, &end # # 53 ILE QD1 55 GLU H &rst iat= -1,853, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 836,837,838, &end # # 53 ILE HA 56 VAL H &rst iat= 825,868, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE HA 56 VAL QG &rst iat= 825, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 874,875,876,878,879,880, &end # # 53 ILE QD1 56 VAL H &rst iat= -1,868, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 836,837,838, &end # # 53 ILE HA 57 GLY H &rst iat= 825,884, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE HA 57 GLY QA &rst iat= 825, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 886,887, &end # # 53 ILE QD1 57 GLY H &rst iat= -1,884, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 836,837,838, &end # # 53 ILE QD1 57 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 836,837,838, igr2= 886,887, &end # # 53 ILE HA 58 LEU H &rst iat= 825,891, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE HA 58 LEU HA &rst iat= 825,893, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE QG2 58 LEU H &rst iat= -1,891, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 829,830,831, &end # # 53 ILE QG2 58 LEU HA &rst iat= -1,893, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 829,830,831, &end # # 53 ILE QD1 58 LEU H &rst iat= -1,891, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 836,837,838, &end # # 53 ILE QD1 58 LEU HA &rst iat= -1,893, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 836,837,838, &end # # 53 ILE H 61 LEU QD &rst iat= 823, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 947,948,949,951,952,953, &end # # 53 ILE HA 61 LEU QD &rst iat= 825, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 947,948,949,951,952,953, &end # # 53 ILE QG2 61 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.29, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 829,830,831, igr2= 947,948,949,951,952,953, &end # # 53 ILE QD1 61 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= 836,837,838, igr2= 947,948,949,951,952,953, &end # # 53 ILE QD1 85 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 836,837,838, igr2= 1344,1345, &end # # 53 ILE HA 54 SER H &rst iat= 825,842, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE QD1 59 ASN H &rst iat= -1,910, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 836,837,838, &end # # 54 SER H 54 SER QB &rst iat= 842, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 846,847, &end # # 54 SER H 55 GLU H &rst iat= 842,853, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 SER H 55 GLU QB &rst iat= 842, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 857,858, &end # # 54 SER QB 55 GLU H &rst iat= -1,853, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 846,847, &end # # 54 SER QB 55 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 846,847, igr2= 857,858, &end # # 54 SER QB 55 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= 846,847, igr2= 860,861, &end # # 54 SER H 56 VAL H &rst iat= 842,868, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 SER H 56 VAL QG &rst iat= 842, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 874,875,876,878,879,880, &end # # 54 SER H 57 GLY H &rst iat= 842,884, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 SER HA 57 GLY H &rst iat= 844,884, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 SER H 61 LEU QD &rst iat= 842, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 947,948,949,951,952,953, &end # # 54 SER HA 55 GLU H &rst iat= 844,853, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 GLU H 55 GLU QB &rst iat= 853, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 857,858, &end # # 55 GLU H 55 GLU QG &rst iat= 853, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 860,861, &end # # 55 GLU HA 55 GLU QG &rst iat= 855, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 860,861, &end # # 55 GLU H 56 VAL QG &rst iat= 853, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 874,875,876,878,879,880, &end # # 55 GLU HA 56 VAL HA &rst iat= 855,870, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 GLU HA 56 VAL QG &rst iat= 855, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 874,875,876,878,879,880, &end # # 55 GLU QB 56 VAL H &rst iat= -1,868, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 857,858, &end # # 55 GLU QB 56 VAL HA &rst iat= -1,870, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 857,858, &end # # 55 GLU QB 56 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 857,858, igr2= 874,875,876,878,879,880, &end # # 55 GLU QG 56 VAL H &rst iat= -1,868, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 860,861, &end # # 55 GLU QG 56 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 860,861, igr2= 874,875,876,878,879,880, &end # # 55 GLU H 57 GLY H &rst iat= 853,884, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 GLU HA 57 GLY H &rst iat= 855,884, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 GLU QB 57 GLY H &rst iat= -1,884, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 857,858, &end # # 55 GLU H 61 LEU QD &rst iat= 853, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 947,948,949,951,952,953, &end # # 55 GLU H 56 VAL H &rst iat= 853,868, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 GLU H 56 VAL HA &rst iat= 853,870, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 GLU HA 56 VAL H &rst iat= 855,868, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 VAL H 56 VAL QG &rst iat= 868, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 874,875,876,878,879,880, &end # # 56 VAL HA 56 VAL QG &rst iat= 870, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 874,875,876,878,879,880, &end # # 56 VAL H 57 GLY H &rst iat= 868,884, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 VAL H 57 GLY QA &rst iat= 868, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 886,887, &end # # 56 VAL HB 57 GLY H &rst iat= 872,884, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 VAL QG 57 GLY H &rst iat= -1,884, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 874,875,876,878,879,880, &end # # 56 VAL QG 57 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 874,875,876,878,879,880, igr2= 886,887, &end # # 56 VAL H 58 LEU H &rst iat= 868,891, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 VAL QG 58 LEU H &rst iat= -1,891, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 874,875,876,878,879,880, &end # # 56 VAL QG 59 ASN H &rst iat= -1,910, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 874,875,876,878,879,880, &end # # 56 VAL H 60 ASN QD &rst iat= 868, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 933,934, &end # # 56 VAL HA 60 ASN QB &rst iat= 870, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 928,929, &end # # 56 VAL HA 60 ASN QD &rst iat= 870, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 933,934, &end # # 56 VAL HB 60 ASN H &rst iat= 872,924, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 VAL HB 60 ASN QB &rst iat= 872, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 928,929, &end # # 56 VAL HB 60 ASN QD &rst iat= 872, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 933,934, &end # # 56 VAL QG 60 ASN H &rst iat= -1,924, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 874,875,876,878,879,880, &end # # 56 VAL QG 60 ASN HA &rst iat= -1,926, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 874,875,876,878,879,880, &end # # 56 VAL QG 60 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 874,875,876,878,879,880, igr2= 928,929, &end # # 56 VAL QG 60 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 874,875,876,878,879,880, igr2= 933,934, &end # # 56 VAL H 61 LEU QD &rst iat= 868, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 947,948,949,951,952,953, &end # # 56 VAL QG 61 LEU H &rst iat= -1,938, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 874,875,876,878,879,880, &end # # 56 VAL QG 61 LEU HA &rst iat= -1,940, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 874,875,876,878,879,880, &end # # 56 VAL QG 61 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= 874,875,876,878,879,880, igr2= 942,943, &end # # 56 VAL QG 61 LEU HG &rst iat= -1,945, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 874,875,876,878,879,880, &end # # 56 VAL QG 61 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.3835, r4= 9.29475, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 874,875,876,878,879,880, igr2= 947,948,949,951,952,953, &end # # 56 VAL QG 62 ASN H &rst iat= -1,957, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 874,875,876,878,879,880, &end # # 56 VAL HA 57 GLY H &rst iat= 870,884, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 GLY H 58 LEU H &rst iat= 884,891, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 GLY H 58 LEU QB &rst iat= 884, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 895,896, &end # # 57 GLY QA 58 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= 886,887, igr2= 895,896, &end # # 57 GLY QA 58 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= 886,887, igr2= 900,901,902,904,905,906, &end # # 57 GLY H 59 ASN H &rst iat= 884,910, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 GLY QA 59 ASN H &rst iat= -1,910, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 886,887, &end # # 57 GLY QA 59 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 886,887, igr2= 914,915, &end # # 57 GLY QA 59 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 886,887, igr2= 919,920, &end # # 57 GLY H 60 ASN QB &rst iat= 884, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 928,929, &end # # 57 GLY H 60 ASN QD &rst iat= 884, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 933,934, &end # # 57 GLY QA 60 ASN H &rst iat= -1,924, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 886,887, &end # # 57 GLY QA 60 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 886,887, igr2= 933,934, &end # # 57 GLY H 61 LEU H &rst iat= 884,938, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 GLY H 61 LEU QB &rst iat= 884, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 942,943, &end # # 57 GLY H 61 LEU QD &rst iat= 884, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 947,948,949,951,952,953, &end # # 57 GLY QA 58 LEU H &rst iat= -1,891, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 886,887, &end # # 58 LEU H 58 LEU QB &rst iat= 891, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 895,896, &end # # 58 LEU H 58 LEU QD &rst iat= 891, -1, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 900,901,902,904,905,906, &end # # 58 LEU HA 58 LEU QD &rst iat= 893, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 900,901,902,904,905,906, &end # # 58 LEU QB 58 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= 895,896, igr2= 900,901,902,904,905,906, &end # # 58 LEU H 59 ASN HA &rst iat= 891,912, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 LEU H 59 ASN QB &rst iat= 891, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 914,915, &end # # 58 LEU H 59 ASN QD &rst iat= 891, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 919,920, &end # # 58 LEU HA 59 ASN QB &rst iat= 893, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 914,915, &end # # 58 LEU HG 59 ASN H &rst iat= 898,910, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 LEU HG 59 ASN HA &rst iat= 898,912, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 LEU HG 59 ASN QB &rst iat= 898, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 914,915, &end # # 58 LEU HG 59 ASN QD &rst iat= 898, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 919,920, &end # # 58 LEU QD 59 ASN H &rst iat= -1,910, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 900,901,902,904,905,906, &end # # 58 LEU QD 59 ASN HA &rst iat= -1,912, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 900,901,902,904,905,906, &end # # 58 LEU QD 59 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 900,901,902,904,905,906, igr2= 914,915, &end # # 58 LEU QD 59 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 900,901,902,904,905,906, igr2= 919,920, &end # # 58 LEU H 60 ASN QD &rst iat= 891, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 933,934, &end # # 58 LEU HA 60 ASN H &rst iat= 893,924, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 LEU H 61 LEU QD &rst iat= 891, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 947,948,949,951,952,953, &end # # 58 LEU HA 61 LEU QB &rst iat= 893, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 942,943, &end # # 58 LEU HA 61 LEU HG &rst iat= 893,945, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 LEU HA 61 LEU QD &rst iat= 893, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 947,948,949,951,952,953, &end # # 58 LEU QB 61 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= 895,896, igr2= 947,948,949,951,952,953, &end # # 58 LEU QD 61 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 10.0238, r4= 10.935, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 900,901,902,904,905,906, igr2= 947,948,949,951,952,953, &end # # 58 LEU QD 82 LYS H &rst iat= -1,1288, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 900,901,902,904,905,906, &end # # 58 LEU QB 85 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 895,896, igr2= 1344,1345, &end # # 58 LEU QD 85 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 900,901,902,904,905,906, igr2= 1339,1340, &end # # 58 LEU QD 85 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 900,901,902,904,905,906, igr2= 1344,1345, &end # # 58 LEU QD 86 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 900,901,902,904,905,906, igr2= 1353,1354, &end # # 58 LEU QD 87 MET H &rst iat= -1,1373, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 900,901,902,904,905,906, &end # # 58 LEU QD 87 MET QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 900,901,902,904,905,906, igr2= 1377,1378, &end # # 58 LEU QD 87 MET QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 900,901,902,904,905,906, igr2= 1380,1381, &end # # 58 LEU QD 88 GLY H &rst iat= -1,1390, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 900,901,902,904,905,906, &end # # 58 LEU QD 88 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 900,901,902,904,905,906, igr2= 1392,1393, &end # # 58 LEU QD 89 ARG H &rst iat= -1,1397, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 900,901,902,904,905,906, &end # # 58 LEU HA 59 ASN H &rst iat= 893,910, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 LEU H 59 ASN H &rst iat= 891,910, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 LEU QB 59 ASN H &rst iat= -1,910, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 895,896, &end # # 59 ASN H 59 ASN QB &rst iat= 910, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 914,915, &end # # 59 ASN H 59 ASN QD &rst iat= 910, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 919,920, &end # # 59 ASN HA 59 ASN QD &rst iat= 912, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 919,920, &end # # 59 ASN QB 59 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 914,915, igr2= 919,920, &end # # 59 ASN H 60 ASN H &rst iat= 910,924, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 ASN H 60 ASN HA &rst iat= 910,926, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 ASN H 60 ASN QB &rst iat= 910, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 928,929, &end # # 59 ASN H 60 ASN QD &rst iat= 910, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 933,934, &end # # 59 ASN HA 60 ASN QD &rst iat= 912, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 933,934, &end # # 59 ASN QB 60 ASN H &rst iat= -1,924, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 914,915, &end # # 59 ASN QB 60 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 914,915, igr2= 928,929, &end # # 59 ASN QB 60 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 914,915, igr2= 933,934, &end # # 59 ASN H 61 LEU H &rst iat= 910,938, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 ASN H 61 LEU HG &rst iat= 910,945, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 ASN H 61 LEU QD &rst iat= 910, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 947,948,949,951,952,953, &end # # 59 ASN HA 61 LEU H &rst iat= 912,938, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 ASN QB 61 LEU H &rst iat= -1,938, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 914,915, &end # # 59 ASN HA 60 ASN H &rst iat= 912,924, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 ASN H 60 ASN QB &rst iat= 924, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 928,929, &end # # 60 ASN H 60 ASN QD &rst iat= 924, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 933,934, &end # # 60 ASN HA 60 ASN QD &rst iat= 926, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 933,934, &end # # 60 ASN H 61 LEU H &rst iat= 924,938, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 ASN H 61 LEU QB &rst iat= 924, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 942,943, &end # # 60 ASN H 61 LEU HG &rst iat= 924,945, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 ASN H 61 LEU QD &rst iat= 924, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 947,948,949,951,952,953, &end # # 60 ASN QB 61 LEU H &rst iat= -1,938, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 928,929, &end # # 60 ASN QD 61 LEU H &rst iat= -1,938, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 933,934, &end # # 60 ASN QD 61 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= 933,934, igr2= 947,948,949,951,952,953, &end # # 60 ASN HA 61 LEU H &rst iat= 926,938, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 61 LEU H 61 LEU HG &rst iat= 938,945, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 61 LEU H 61 LEU QD &rst iat= 938, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 947,948,949,951,952,953, &end # # 61 LEU HA 61 LEU QD &rst iat= 940, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 947,948,949,951,952,953, &end # # 61 LEU H 62 ASN H &rst iat= 938,957, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 61 LEU QB 62 ASN H &rst iat= -1,957, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 942,943, &end # # 61 LEU QD 62 ASN H &rst iat= -1,957, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 947,948,949,951,952,953, &end # # 61 LEU H 81 ILE QD1 &rst iat= 938, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1282,1283,1284, &end # # 61 LEU QB 81 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 942,943, igr2= 1282,1283,1284, &end # # 61 LEU QD 81 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.91, r4= 9.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 947,948,949,951,952,953, igr2= 1275,1276,1277, &end # # 61 LEU QD 81 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.91, r4= 9.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 947,948,949,951,952,953, igr2= 1282,1283,1284, &end # # 61 LEU HA 62 ASN H &rst iat= 940,957, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 ASN H 62 ASN QD &rst iat= 957, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 966,967, &end # # 62 ASN HA 62 ASN QD &rst iat= 959, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 966,967, &end # # 62 ASN H 63 ALA H &rst iat= 957,971, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 ASN H 63 ALA QB &rst iat= 957, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 975,976,977, &end # # 62 ASN HA 63 ALA QB &rst iat= 959, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 975,976,977, &end # # 62 ASN QB 63 ALA H &rst iat= -1,971, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 961,962, &end # # 62 ASN QB 63 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 961,962, igr2= 975,976,977, &end # # 62 ASN QD 63 ALA H &rst iat= -1,971, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967, &end # # 62 ASN QD 63 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= 966,967, igr2= 975,976,977, &end # # 62 ASN H 64 THR H &rst iat= 957,981, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 ASN HA 64 THR H &rst iat= 959,981, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 ASN QB 64 THR H &rst iat= -1,981, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 961,962, &end # # 62 ASN QB 64 THR HB &rst iat= -1,985, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 961,962, &end # # 62 ASN QD 64 THR H &rst iat= -1,981, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967, &end # # 62 ASN QD 64 THR HB &rst iat= -1,985, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967, &end # # 62 ASN QD 64 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967, igr2= 987,988,989, &end # # 62 ASN QB 65 GLU H &rst iat= -1,995, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 961,962, &end # # 62 ASN QD 65 GLU H &rst iat= -1,995, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967, &end # # 62 ASN QD 65 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 966,967, igr2= 999,1000, &end # # 62 ASN H 66 LEU QD &rst iat= 957, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1019,1020,1021,1023,1024,1025, &end # # 62 ASN H 81 ILE QD1 &rst iat= 957, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1282,1283,1284, &end # # 62 ASN HA 81 ILE QD1 &rst iat= 959, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1282,1283,1284, &end # # 62 ASN HA 63 ALA H &rst iat= 959,971, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 ASN H 65 GLU QG &rst iat= 957, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1002,1003, &end # # 63 ALA H 63 ALA QB &rst iat= 971, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 975,976,977, &end # # 63 ALA H 64 THR H &rst iat= 971,981, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ALA H 64 THR HB &rst iat= 971,985, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ALA QB 64 THR H &rst iat= -1,981, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 975,976,977, &end # # 63 ALA H 65 GLU H &rst iat= 971,995, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ALA H 66 LEU H &rst iat= 971,1010, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ALA HA 66 LEU H &rst iat= 973,1010, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ALA HA 66 LEU QB &rst iat= 973, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1014,1015, &end # # 63 ALA HA 66 LEU QD &rst iat= 973, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1019,1020,1021,1023,1024,1025, &end # # 63 ALA QB 66 LEU H &rst iat= -1,1010, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 975,976,977, &end # # 63 ALA HA 67 SER H &rst iat= 973,1029, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ALA QB 67 SER H &rst iat= -1,1029, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 975,976,977, &end # # 63 ALA H 74 VAL QG &rst iat= 971, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1158,1159,1160,1162,1163,1164, &end # # 63 ALA HA 74 VAL QG &rst iat= 973, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1158,1159,1160,1162,1163,1164, &end # # 63 ALA QB 74 VAL HA &rst iat= -1,1154, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 975,976,977, &end # # 63 ALA QB 74 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 975,976,977, igr2= 1158,1159,1160,1162,1163,1164, &end # # 63 ALA QB 75 ASP HA &rst iat= -1,1170, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 975,976,977, &end # # 63 ALA QB 78 LYS H &rst iat= -1,1212, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 975,976,977, &end # # 63 ALA QB 78 LYS HA &rst iat= -1,1214, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 975,976,977, &end # # 63 ALA QB 78 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= 975,976,977, igr2= 1216,1217, &end # # 63 ALA QB 78 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 975,976,977, igr2= 1219,1220, &end # # 63 ALA QB 78 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 975,976,977, igr2= 1222,1223, &end # # 63 ALA H 81 ILE QD1 &rst iat= 971, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1282,1283,1284, &end # # 63 ALA HA 81 ILE QD1 &rst iat= 973, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1282,1283,1284, &end # # 63 ALA QB 81 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.92, r4= 8.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 975,976,977, igr2= 1275,1276,1277, &end # # 63 ALA QB 81 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 975,976,977, igr2= 1282,1283,1284, &end # # 63 ALA HA 64 THR H &rst iat= 973,981, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ALA HA 77 ALA QB &rst iat= 973, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1206,1207,1208, &end # # 64 THR H 64 THR HB &rst iat= 981,985, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 THR H 64 THR QG2 &rst iat= 981, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 987,988,989, &end # # 64 THR HA 64 THR QG2 &rst iat= 983, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 987,988,989, &end # # 64 THR H 65 GLU H &rst iat= 981,995, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 THR HB 65 GLU H &rst iat= 985,995, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 THR QG2 65 GLU H &rst iat= -1,995, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 987,988,989, &end # # 64 THR QG2 65 GLU HA &rst iat= -1,997, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 987,988,989, &end # # 64 THR H 66 LEU H &rst iat= 981,1010, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 THR QG2 66 LEU H &rst iat= -1,1010, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 987,988,989, &end # # 64 THR H 67 SER HG &rst iat= 981,1036, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 THR HA 67 SER QB &rst iat= 983, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1033,1034, &end # # 64 THR HA 67 SER HG &rst iat= 983,1036, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 THR QG2 67 SER HG &rst iat= -1,1036, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 987,988,989, &end # # 64 THR QG2 68 LYS H &rst iat= -1,1040, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 987,988,989, &end # # 64 THR QG2 68 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= 987,988,989, igr2= 1044,1045, &end # # 64 THR QG2 68 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 987,988,989, igr2= 1047,1048, &end # # 64 THR QG2 68 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 987,988,989, igr2= 1050,1051, &end # # 64 THR QG2 68 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 987,988,989, igr2= 1053,1054, &end # # 64 THR H 74 VAL QG &rst iat= 981, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1158,1159,1160,1162,1163,1164, &end # # 64 THR HA 74 VAL QG &rst iat= 983, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1158,1159,1160,1162,1163,1164, &end # # 64 THR QG2 74 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.91, r4= 9.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 987,988,989, igr2= 1158,1159,1160,1162,1163,1164, &end # # 64 THR H 81 ILE QD1 &rst iat= 981, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1282,1283,1284, &end # # 64 THR HA 65 GLU H &rst iat= 983,995, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 GLU H 65 GLU QG &rst iat= 995, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1002,1003, &end # # 65 GLU H 66 LEU H &rst iat= 995,1010, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 GLU HA 66 LEU HA &rst iat= 997,1012, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 GLU QG 66 LEU H &rst iat= -1,1010, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1002,1003, &end # # 65 GLU H 68 LYS QB &rst iat= 995, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1044,1045, &end # # 65 GLU HA 68 LYS QB &rst iat= 997, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1044,1045, &end # # 65 GLU HA 68 LYS QD &rst iat= 997, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1050,1051, &end # # 65 GLU HA 68 LYS QE &rst iat= 997, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1053,1054, &end # # 65 GLU H 74 VAL QG &rst iat= 995, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1158,1159,1160,1162,1163,1164, &end # # 65 GLU H 68 LYS H &rst iat= 995,1040, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 GLU HA 66 LEU H &rst iat= 997,1010, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 GLU HA 68 LYS H &rst iat= 997,1040, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 GLU H 68 LYS QD &rst iat= 995, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1050,1051, &end # # 66 LEU H 66 LEU QD &rst iat= 1010, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1019,1020,1021,1023,1024,1025, &end # # 66 LEU HA 66 LEU QD &rst iat= 1012, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1019,1020,1021,1023,1024,1025, &end # # 66 LEU QB 66 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= 1014,1015, igr2= 1019,1020,1021,1023,1024,1025, &end # # 66 LEU H 67 SER H &rst iat= 1010,1029, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 LEU H 67 SER HG &rst iat= 1010,1036, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 LEU QB 67 SER H &rst iat= -1,1029, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1014,1015, &end # # 66 LEU QD 67 SER H &rst iat= -1,1029, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1019,1020,1021,1023,1024,1025, &end # # 66 LEU QD 67 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1019,1020,1021,1023,1024,1025, igr2= 1033,1034, &end # # 66 LEU H 68 LYS H &rst iat= 1010,1040, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 LEU HA 68 LYS H &rst iat= 1012,1040, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 LEU HA 68 LYS QB &rst iat= 1012, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1044,1045, &end # # 66 LEU QD 68 LYS H &rst iat= -1,1040, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1019,1020,1021,1023,1024,1025, &end # # 66 LEU H 69 ARG H &rst iat= 1010,1062, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 LEU HA 69 ARG H &rst iat= 1012,1062, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 LEU HA 70 LEU H &rst iat= 1012,1086, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 LEU QD 72 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.586, r4= 9.396, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1019,1020,1021,1023,1024,1025, igr2= 1132,1133,1134, &end # # 66 LEU H 77 ALA QB &rst iat= 1010, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1206,1207,1208, &end # # 66 LEU QD 77 ALA HA &rst iat= -1,1204, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1019,1020,1021,1023,1024,1025, &end # # 66 LEU QD 80 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1019,1020,1021,1023,1024,1025, igr2= 1256,1265, &end # # 66 LEU QD 80 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1019,1020,1021,1023,1024,1025, igr2= 1258,1263, &end # # 66 LEU H 81 ILE QD1 &rst iat= 1010, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1282,1283,1284, &end # # 66 LEU QB 81 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1014,1015, igr2= 1282,1283,1284, &end # # 66 LEU QD 81 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1, r4= 8.91, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1019,1020,1021,1023,1024,1025, igr2= 1282,1283,1284, &end # # 66 LEU HA 67 SER H &rst iat= 1012,1029, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER H 67 SER HG &rst iat= 1029,1036, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER H 68 LYS H &rst iat= 1029,1040, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER H 68 LYS HA &rst iat= 1029,1042, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER H 68 LYS QB &rst iat= 1029, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1044,1045, &end # # 67 SER QB 68 LYS H &rst iat= -1,1040, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034, &end # # 67 SER HG 68 LYS H &rst iat= 1036,1040, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER HG 68 LYS QG &rst iat= 1036, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1047,1048, &end # # 67 SER H 69 ARG H &rst iat= 1029,1062, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER H 70 LEU H &rst iat= 1029,1086, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER H 70 LEU QD &rst iat= 1029, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1095,1096,1097,1099,1100,1101, &end # # 67 SER HA 70 LEU H &rst iat= 1031,1086, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER QB 70 LEU H &rst iat= -1,1086, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034, &end # # 67 SER H 71 ASN H &rst iat= 1029,1105, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER HA 71 ASN H &rst iat= 1031,1105, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER H 72 ILE H &rst iat= 1029,1119, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER H 72 ILE QD1 &rst iat= 1029, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1132,1133,1134, &end # # 67 SER HA 72 ILE H &rst iat= 1031,1119, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER HA 72 ILE QG2 &rst iat= 1031, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1125,1126,1127, &end # # 67 SER HA 72 ILE QD1 &rst iat= 1031, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1132,1133,1134, &end # # 67 SER QB 72 ILE H &rst iat= -1,1119, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034, &end # # 67 SER QB 72 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= 1033,1034, igr2= 1129,1130, &end # # 67 SER QB 72 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034, igr2= 1125,1126,1127, &end # # 67 SER QB 72 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034, igr2= 1132,1133,1134, &end # # 67 SER HA 73 THR H &rst iat= 1031,1138, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER QB 73 THR H &rst iat= -1,1138, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034, &end # # 67 SER QB 73 THR HA &rst iat= -1,1140, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034, &end # # 67 SER H 74 VAL HA &rst iat= 1029,1154, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER H 74 VAL QG &rst iat= 1029, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1158,1159,1160,1162,1163,1164, &end # # 67 SER HA 74 VAL HA &rst iat= 1031,1154, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER QB 74 VAL H &rst iat= -1,1152, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034, &end # # 67 SER QB 74 VAL HA &rst iat= -1,1154, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034, &end # # 67 SER QB 74 VAL HB &rst iat= -1,1156, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034, &end # # 67 SER QB 74 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1033,1034, igr2= 1158,1159,1160,1162,1163,1164, &end # # 67 SER HG 74 VAL QG &rst iat= 1036, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1158,1159,1160,1162,1163,1164, &end # # 67 SER H 77 ALA QB &rst iat= 1029, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1206,1207,1208, &end # # 67 SER HA 77 ALA QB &rst iat= 1031, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1206,1207,1208, &end # # 67 SER QB 77 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= 1033,1034, igr2= 1206,1207,1208, &end # # 67 SER HA 68 LYS H &rst iat= 1031,1040, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LYS H 68 LYS QB &rst iat= 1040, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1044,1045, &end # # 68 LYS H 68 LYS QG &rst iat= 1040, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1047,1048, &end # # 68 LYS H 68 LYS QD &rst iat= 1040, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1050,1051, &end # # 68 LYS H 68 LYS QE &rst iat= 1040, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1053,1054, &end # # 68 LYS HA 68 LYS QG &rst iat= 1042, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1047,1048, &end # # 68 LYS HA 68 LYS QD &rst iat= 1042, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1050,1051, &end # # 68 LYS QB 68 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1044,1045, igr2= 1050,1051, &end # # 68 LYS QB 68 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= 1044,1045, igr2= 1053,1054, &end # # 68 LYS QG 68 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= 1047,1048, igr2= 1053,1054, &end # # 68 LYS H 69 ARG H &rst iat= 1040,1062, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LYS H 69 ARG HA &rst iat= 1040,1064, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LYS QB 69 ARG H &rst iat= -1,1062, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1044,1045, &end # # 68 LYS QG 69 ARG H &rst iat= -1,1062, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1047,1048, &end # # 68 LYS H 70 LEU H &rst iat= 1040,1086, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LYS HA 70 LEU H &rst iat= 1042,1086, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LYS QB 70 LEU H &rst iat= -1,1086, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1044,1045, &end # # 68 LYS H 71 ASN H &rst iat= 1040,1105, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LYS H 71 ASN HA &rst iat= 1040,1107, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LYS HA 71 ASN H &rst iat= 1042,1105, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LYS H 72 ILE QD1 &rst iat= 1040, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1132,1133,1134, &end # # 68 LYS H 74 VAL QG &rst iat= 1040, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1158,1159,1160,1162,1163,1164, &end # # 69 ARG H 69 ARG QD &rst iat= 1062, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1072,1073, &end # # 69 ARG H 70 LEU H &rst iat= 1062,1086, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 ARG H 70 LEU QD &rst iat= 1062, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1095,1096,1097,1099,1100,1101, &end # # 69 ARG QG 70 LEU H &rst iat= -1,1086, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1069,1070, &end # # 69 ARG QD 70 LEU H &rst iat= -1,1086, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1072,1073, &end # # 69 ARG H 71 ASN H &rst iat= 1062,1105, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 ARG HA 71 ASN H &rst iat= 1064,1105, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 70 LEU H 70 LEU QD &rst iat= 1086, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1095,1096,1097,1099,1100,1101, &end # # 70 LEU HA 70 LEU QD &rst iat= 1088, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1095,1096,1097,1099,1100,1101, &end # # 70 LEU H 71 ASN H &rst iat= 1086,1105, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 70 LEU H 71 ASN HA &rst iat= 1086,1107, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 70 LEU H 71 ASN QB &rst iat= 1086, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1109,1110, &end # # 70 LEU QB 71 ASN H &rst iat= -1,1105, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1090,1091, &end # # 70 LEU QD 71 ASN H &rst iat= -1,1105, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1095,1096,1097,1099,1100,1101, &end # # 70 LEU HA 72 ILE QG2 &rst iat= 1088, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1125,1126,1127, &end # # 70 LEU QB 72 ILE H &rst iat= -1,1119, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1090,1091, &end # # 70 LEU QB 72 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1090,1091, igr2= 1125,1126,1127, &end # # 70 LEU QD 72 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.966, r4= 7.776, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1095,1096,1097,1099,1100,1101, igr2= 1125,1126,1127, &end # # 70 LEU HA 71 ASN H &rst iat= 1088,1105, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 71 ASN H 71 ASN QB &rst iat= 1105, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1109,1110, &end # # 71 ASN H 71 ASN QD &rst iat= 1105, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1114,1115, &end # # 71 ASN HA 71 ASN QD &rst iat= 1107, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1114,1115, &end # # 71 ASN QB 71 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1109,1110, igr2= 1114,1115, &end # # 71 ASN H 72 ILE HA &rst iat= 1105,1121, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 71 ASN H 72 ILE QG1 &rst iat= 1105, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1129,1130, &end # # 71 ASN H 72 ILE QG2 &rst iat= 1105, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1125,1126,1127, &end # # 71 ASN HA 72 ILE QG2 &rst iat= 1107, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1125,1126,1127, &end # # 71 ASN QB 72 ILE H &rst iat= -1,1119, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1109,1110, &end # # 71 ASN QB 72 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1109,1110, igr2= 1125,1126,1127, &end # # 71 ASN QD 72 ILE H &rst iat= -1,1119, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1114,1115, &end # # 71 ASN QD 72 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1114,1115, igr2= 1125,1126,1127, &end # # 71 ASN HA 72 ILE H &rst iat= 1107,1119, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 72 ILE H 72 ILE QG1 &rst iat= 1119, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1129,1130, &end # # 72 ILE H 72 ILE QG2 &rst iat= 1119, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1125,1126,1127, &end # # 72 ILE H 72 ILE QD1 &rst iat= 1119, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1132,1133,1134, &end # # 72 ILE QG2 72 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.192, r4= 6.912, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1125,1126,1127, igr2= 1132,1133,1134, &end # # 72 ILE H 73 THR H &rst iat= 1119,1138, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 72 ILE HB 73 THR H &rst iat= 1123,1138, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 72 ILE QG1 73 THR H &rst iat= -1,1138, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1129,1130, &end # # 72 ILE QG2 73 THR H &rst iat= -1,1138, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1125,1126,1127, &end # # 72 ILE QG2 73 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.92, r4= 8.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1125,1126,1127, igr2= 1144,1145,1146, &end # # 72 ILE QD1 73 THR H &rst iat= -1,1138, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1132,1133,1134, &end # # 72 ILE QD1 73 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.92, r4= 8.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1132,1133,1134, igr2= 1144,1145,1146, &end # # 72 ILE QD1 74 VAL HA &rst iat= -1,1154, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1132,1133,1134, &end # # 72 ILE HB 76 LYS QB &rst iat= 1123, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1184,1185, &end # # 72 ILE QG2 76 LYS H &rst iat= -1,1180, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1125,1126,1127, &end # # 72 ILE QG2 76 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1125,1126,1127, igr2= 1187,1188, &end # # 72 ILE QG2 76 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1125,1126,1127, igr2= 1190,1191, &end # # 72 ILE QD1 76 LYS H &rst iat= -1,1180, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1132,1133,1134, &end # # 72 ILE QD1 76 LYS HA &rst iat= -1,1182, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1132,1133,1134, &end # # 72 ILE QD1 76 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1132,1133,1134, igr2= 1187,1188, &end # # 72 ILE QD1 76 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1132,1133,1134, igr2= 1190,1191, &end # # 72 ILE H 77 ALA QB &rst iat= 1119, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1206,1207,1208, &end # # 72 ILE QG2 77 ALA HA &rst iat= -1,1204, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1125,1126,1127, &end # # 72 ILE QD1 77 ALA H &rst iat= -1,1202, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1132,1133,1134, &end # # 72 ILE QD1 77 ALA HA &rst iat= -1,1204, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1132,1133,1134, &end # # 72 ILE QD1 77 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1132,1133,1134, igr2= 1206,1207,1208, &end # # 72 ILE QD1 78 LYS H &rst iat= -1,1212, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1132,1133,1134, &end # # 72 ILE QD1 80 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1132,1133,1134, igr2= 1256,1265, &end # # 72 ILE QD1 80 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1132,1133,1134, igr2= 1258,1263, &end # # 72 ILE HA 73 THR H &rst iat= 1121,1138, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR H 73 THR QG2 &rst iat= 1138, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1144,1145,1146, &end # # 73 THR HA 73 THR QG2 &rst iat= 1140, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1144,1145,1146, &end # # 73 THR H 74 VAL H &rst iat= 1138,1152, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR H 74 VAL QG &rst iat= 1138, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1158,1159,1160,1162,1163,1164, &end # # 73 THR HA 74 VAL HA &rst iat= 1140,1154, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR HA 74 VAL QG &rst iat= 1140, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1158,1159,1160,1162,1163,1164, &end # # 73 THR HB 74 VAL H &rst iat= 1142,1152, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR HB 74 VAL QG &rst iat= 1142, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1158,1159,1160,1162,1163,1164, &end # # 73 THR QG2 74 VAL H &rst iat= -1,1152, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1144,1145,1146, &end # # 73 THR QG2 74 VAL HA &rst iat= -1,1154, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1144,1145,1146, &end # # 73 THR QG2 74 VAL HB &rst iat= -1,1156, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1144,1145,1146, &end # # 73 THR QG2 74 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.91, r4= 9.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1144,1145,1146, igr2= 1158,1159,1160,1162,1163,1164, &end # # 73 THR H 75 ASP H &rst iat= 1138,1168, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR HA 75 ASP H &rst iat= 1140,1168, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR HB 75 ASP H &rst iat= 1142,1168, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR QG2 75 ASP H &rst iat= -1,1168, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1144,1145,1146, &end # # 73 THR QG2 75 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1144,1145,1146, igr2= 1172,1173, &end # # 73 THR H 76 LYS H &rst iat= 1138,1180, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR H 76 LYS QG &rst iat= 1138, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1187,1188, &end # # 73 THR H 76 LYS QD &rst iat= 1138, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1190,1191, &end # # 73 THR H 76 LYS QE &rst iat= 1138, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1193,1194, &end # # 73 THR HA 76 LYS H &rst iat= 1140,1180, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR HB 76 LYS H &rst iat= 1142,1180, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR QG2 76 LYS H &rst iat= -1,1180, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1144,1145,1146, &end # # 73 THR QG2 76 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1144,1145,1146, igr2= 1190,1191, &end # # 73 THR H 77 ALA H &rst iat= 1138,1202, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR H 77 ALA QB &rst iat= 1138, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1206,1207,1208, &end # # 73 THR QG2 78 LYS H &rst iat= -1,1212, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1144,1145,1146, &end # # 73 THR HA 74 VAL H &rst iat= 1140,1152, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 VAL H 74 VAL HB &rst iat= 1152,1156, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 VAL H 74 VAL QG &rst iat= 1152, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1158,1159,1160,1162,1163,1164, &end # # 74 VAL HA 74 VAL QG &rst iat= 1154, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1158,1159,1160,1162,1163,1164, &end # # 74 VAL H 75 ASP H &rst iat= 1152,1168, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 VAL H 75 ASP QB &rst iat= 1152, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1172,1173, &end # # 74 VAL HB 75 ASP H &rst iat= 1156,1168, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 VAL HB 75 ASP HA &rst iat= 1156,1170, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 VAL HB 75 ASP QB &rst iat= 1156, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1172,1173, &end # # 74 VAL QG 75 ASP H &rst iat= -1,1168, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1158,1159,1160,1162,1163,1164, &end # # 74 VAL QG 75 ASP HA &rst iat= -1,1170, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1158,1159,1160,1162,1163,1164, &end # # 74 VAL QG 75 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1158,1159,1160,1162,1163,1164, igr2= 1172,1173, &end # # 74 VAL H 76 LYS H &rst iat= 1152,1180, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 VAL HB 76 LYS H &rst iat= 1156,1180, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 VAL QG 76 LYS H &rst iat= -1,1180, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1158,1159,1160,1162,1163,1164, &end # # 74 VAL H 77 ALA QB &rst iat= 1152, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1206,1207,1208, &end # # 74 VAL HA 77 ALA H &rst iat= 1154,1202, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 VAL HA 77 ALA QB &rst iat= 1154, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1206,1207,1208, &end # # 74 VAL QG 77 ALA H &rst iat= -1,1202, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1158,1159,1160,1162,1163,1164, &end # # 74 VAL QG 77 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.452, r4= 8.262, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1158,1159,1160,1162,1163,1164, igr2= 1206,1207,1208, &end # # 74 VAL HB 78 LYS H &rst iat= 1156,1212, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 VAL QG 78 LYS H &rst iat= -1,1212, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1158,1159,1160,1162,1163,1164, &end # # 74 VAL QG 78 LYS HA &rst iat= -1,1214, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1158,1159,1160,1162,1163,1164, &end # # 74 VAL QG 78 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1158,1159,1160,1162,1163,1164, igr2= 1219,1220, &end # # 74 VAL QG 78 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1158,1159,1160,1162,1163,1164, igr2= 1222,1223, &end # # 74 VAL HA 75 ASP H &rst iat= 1154,1168, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 VAL QG 78 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1158,1159,1160,1162,1163,1164, igr2= 1225,1226, &end # # 75 ASP H 75 ASP QB &rst iat= 1168, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1172,1173, &end # # 75 ASP H 76 LYS H &rst iat= 1168,1180, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 ASP H 76 LYS QB &rst iat= 1168, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1184,1185, &end # # 75 ASP H 76 LYS QG &rst iat= 1168, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1187,1188, &end # # 75 ASP QB 76 LYS H &rst iat= -1,1180, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1172,1173, &end # # 75 ASP H 77 ALA QB &rst iat= 1168, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1206,1207,1208, &end # # 75 ASP HA 77 ALA H &rst iat= 1170,1202, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 ASP QB 77 ALA H &rst iat= -1,1202, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1172,1173, &end # # 75 ASP H 78 LYS QD &rst iat= 1168, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1222,1223, &end # # 75 ASP H 78 LYS QE &rst iat= 1168, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1225,1226, &end # # 75 ASP HA 78 LYS H &rst iat= 1170,1212, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 ASP HA 78 LYS QB &rst iat= 1170, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1216,1217, &end # # 75 ASP HA 78 LYS QD &rst iat= 1170, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1222,1223, &end # # 75 ASP QB 78 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1172,1173, igr2= 1222,1223, &end # # 75 ASP HA 76 LYS H &rst iat= 1170,1180, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 LYS H 76 LYS QG &rst iat= 1180, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1187,1188, &end # # 76 LYS H 76 LYS QD &rst iat= 1180, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1190,1191, &end # # 76 LYS HA 76 LYS QD &rst iat= 1182, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1190,1191, &end # # 76 LYS H 77 ALA H &rst iat= 1180,1202, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 LYS H 77 ALA QB &rst iat= 1180, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1206,1207,1208, &end # # 76 LYS QB 77 ALA H &rst iat= -1,1202, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1184,1185, &end # # 76 LYS QG 77 ALA H &rst iat= -1,1202, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1187,1188, &end # # 76 LYS H 78 LYS H &rst iat= 1180,1212, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 LYS HA 78 LYS H &rst iat= 1182,1212, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 LYS HA 79 THR H &rst iat= 1182,1234, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 LYS HA 79 THR HB &rst iat= 1182,1238, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 LYS HA 79 THR QG2 &rst iat= 1182, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1240,1241,1242, &end # # 76 LYS HA 77 ALA H &rst iat= 1182,1202, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 ALA H 78 LYS H &rst iat= 1202,1212, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 ALA H 78 LYS HA &rst iat= 1202,1214, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 ALA H 78 LYS QD &rst iat= 1202, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1222,1223, &end # # 77 ALA QB 78 LYS H &rst iat= -1,1212, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1206,1207,1208, &end # # 77 ALA QB 78 LYS HA &rst iat= -1,1214, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1206,1207,1208, &end # # 77 ALA QB 78 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1206,1207,1208, igr2= 1216,1217, &end # # 77 ALA H 79 THR QG2 &rst iat= 1202, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1240,1241,1242, &end # # 77 ALA HA 79 THR QG2 &rst iat= 1204, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1240,1241,1242, &end # # 77 ALA H 80 TYR H &rst iat= 1202,1248, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 ALA HA 80 TYR H &rst iat= 1204,1248, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 ALA HA 80 TYR QB &rst iat= 1204, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1252,1253, &end # # 77 ALA HA 80 TYR QE &rst iat= 1204, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1258,1263, &end # # 77 ALA HA 81 ILE HB &rst iat= 1204,1273, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 ALA HA 78 LYS H &rst iat= 1204,1212, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 ALA H 79 THR H &rst iat= 1202,1234, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 78 LYS H 78 LYS QG &rst iat= 1212, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1219,1220, &end # # 78 LYS H 78 LYS QD &rst iat= 1212, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1222,1223, &end # # 78 LYS H 78 LYS QE &rst iat= 1212, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1225,1226, &end # # 78 LYS HA 78 LYS QD &rst iat= 1214, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1222,1223, &end # # 78 LYS QB 78 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1216,1217, igr2= 1222,1223, &end # # 78 LYS H 79 THR H &rst iat= 1212,1234, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 78 LYS H 79 THR HB &rst iat= 1212,1238, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 78 LYS H 79 THR QG2 &rst iat= 1212, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1240,1241,1242, &end # # 78 LYS QB 79 THR H &rst iat= -1,1234, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1216,1217, &end # # 78 LYS QB 79 THR HB &rst iat= -1,1238, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1216,1217, &end # # 78 LYS QG 79 THR H &rst iat= -1,1234, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1219,1220, &end # # 78 LYS QD 79 THR H &rst iat= -1,1234, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1222,1223, &end # # 78 LYS QE 79 THR H &rst iat= -1,1234, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1225,1226, &end # # 78 LYS H 81 ILE H &rst iat= 1212,1269, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 78 LYS H 81 ILE QD1 &rst iat= 1212, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1282,1283,1284, &end # # 78 LYS HA 81 ILE H &rst iat= 1214,1269, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 78 LYS HA 81 ILE HB &rst iat= 1214,1273, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 78 LYS HA 81 ILE QD1 &rst iat= 1214, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1282,1283,1284, &end # # 78 LYS QB 81 ILE HB &rst iat= -1,1273, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1216,1217, &end # # 78 LYS QG 81 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1219,1220, igr2= 1282,1283,1284, &end # # 78 LYS HA 81 ILE QG2 &rst iat= 1214, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1275,1276,1277, &end # # 79 THR H 79 THR QG2 &rst iat= 1234, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1240,1241,1242, &end # # 79 THR HA 79 THR QG2 &rst iat= 1236, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1240,1241,1242, &end # # 79 THR H 80 TYR H &rst iat= 1234,1248, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 THR HB 80 TYR H &rst iat= 1238,1248, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 THR QG2 80 TYR H &rst iat= -1,1248, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1240,1241,1242, &end # # 79 THR QG2 80 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1240,1241,1242, igr2= 1256,1265, &end # # 79 THR HA 81 ILE QG2 &rst iat= 1236, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1275,1276,1277, &end # # 79 THR HA 82 LYS H &rst iat= 1236,1288, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 THR HA 82 LYS QB &rst iat= 1236, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1292,1293, &end # # 79 THR HA 82 LYS QG &rst iat= 1236, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1295,1296, &end # # 79 THR HA 82 LYS QD &rst iat= 1236, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1298,1299, &end # # 79 THR QG2 82 LYS H &rst iat= -1,1288, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1240,1241,1242, &end # # 79 THR QG2 82 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1240,1241,1242, igr2= 1301,1302, &end # # 79 THR HA 83 ASN H &rst iat= 1236,1310, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 THR HA 83 ASN QD &rst iat= 1236, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1319,1320, &end # # 79 THR QG2 83 ASN H &rst iat= -1,1310, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1240,1241,1242, &end # # 79 THR QG2 83 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1240,1241,1242, igr2= 1314,1315, &end # # 79 THR QG2 83 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1240,1241,1242, igr2= 1319,1320, &end # # 80 TYR H 80 TYR QD &rst iat= 1248, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1256,1265, &end # # 80 TYR H 81 ILE H &rst iat= 1248,1269, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 TYR H 81 ILE HB &rst iat= 1248,1273, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 TYR QD 81 ILE H &rst iat= -1,1269, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1256,1265, &end # # 80 TYR QD 81 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1256,1265, igr2= 1279,1280, &end # # 80 TYR QD 81 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1256,1265, igr2= 1275,1276,1277, &end # # 80 TYR QD 81 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1256,1265, igr2= 1282,1283,1284, &end # # 80 TYR HA 83 ASN H &rst iat= 1250,1310, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 TYR QD 83 ASN H &rst iat= -1,1310, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1256,1265, &end # # 81 ILE H 81 ILE HB &rst iat= 1269,1273, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 ILE H 81 ILE QG1 &rst iat= 1269, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1279,1280, &end # # 81 ILE HA 81 ILE QD1 &rst iat= 1271, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1282,1283,1284, &end # # 81 ILE QG2 81 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.472, r4= 6.192, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1275,1276,1277, igr2= 1282,1283,1284, &end # # 81 ILE H 82 LYS H &rst iat= 1269,1288, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 ILE H 82 LYS QG &rst iat= 1269, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1295,1296, &end # # 81 ILE HB 82 LYS H &rst iat= 1273,1288, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 ILE QG2 82 LYS H &rst iat= -1,1288, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1275,1276,1277, &end # # 81 ILE QG2 82 LYS HA &rst iat= -1,1290, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1275,1276,1277, &end # # 81 ILE QG2 82 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= 1275,1276,1277, igr2= 1292,1293, &end # # 81 ILE QD1 82 LYS H &rst iat= -1,1288, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1282,1283,1284, &end # # 81 ILE HA 84 SER QB &rst iat= 1271, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1328,1329, &end # # 81 ILE QG1 84 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1279,1280, igr2= 1328,1329, &end # # 81 ILE QG2 84 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1275,1276,1277, igr2= 1328,1329, &end # # 81 ILE HA 85 ASN QD &rst iat= 1271, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1344,1345, &end # # 81 ILE HB 85 ASN QD &rst iat= 1273, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1344,1345, &end # # 81 ILE QG2 85 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1275,1276,1277, igr2= 1339,1340, &end # # 81 ILE QG2 85 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1275,1276,1277, igr2= 1344,1345, &end # # 81 ILE QD1 85 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1282,1283,1284, igr2= 1344,1345, &end # # 82 LYS H 82 LYS QG &rst iat= 1288, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1295,1296, &end # # 82 LYS H 82 LYS QD &rst iat= 1288, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1298,1299, &end # # 82 LYS H 82 LYS QE &rst iat= 1288, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1301,1302, &end # # 82 LYS QG 82 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1295,1296, igr2= 1298,1299, &end # # 82 LYS QG 82 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= 1295,1296, igr2= 1301,1302, &end # # 82 LYS QD 82 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= 1298,1299, igr2= 1301,1302, &end # # 82 LYS H 83 ASN QB &rst iat= 1288, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1314,1315, &end # # 82 LYS QB 83 ASN H &rst iat= -1,1310, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1292,1293, &end # # 82 LYS QB 83 ASN HA &rst iat= -1,1312, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1292,1293, &end # # 82 LYS QB 83 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1292,1293, igr2= 1319,1320, &end # # 82 LYS QG 83 ASN H &rst iat= -1,1310, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1295,1296, &end # # 82 LYS QG 83 ASN HA &rst iat= -1,1312, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1295,1296, &end # # 82 LYS QD 83 ASN H &rst iat= -1,1310, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1298,1299, &end # # 82 LYS QD 83 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1298,1299, igr2= 1319,1320, &end # # 82 LYS QE 83 ASN H &rst iat= -1,1310, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1301,1302, &end # # 82 LYS QE 83 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1301,1302, igr2= 1319,1320, &end # # 82 LYS HA 84 SER H &rst iat= 1290,1324, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 LYS QB 84 SER H &rst iat= -1,1324, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1292,1293, &end # # 82 LYS H 85 ASN QD &rst iat= 1288, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1344,1345, &end # # 82 LYS HA 85 ASN H &rst iat= 1290,1335, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 LYS HA 85 ASN HA &rst iat= 1290,1337, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 LYS HA 85 ASN QB &rst iat= 1290, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1339,1340, &end # # 82 LYS HA 85 ASN QD &rst iat= 1290, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1344,1345, &end # # 82 LYS HA 83 ASN H &rst iat= 1290,1310, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 83 ASN H 83 ASN QD &rst iat= 1310, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1319,1320, &end # # 83 ASN HA 83 ASN QD &rst iat= 1312, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1319,1320, &end # # 83 ASN HA 86 ARG QG &rst iat= 1312, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1356,1357, &end # # 83 ASN HA 86 ARG QD &rst iat= 1312, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1359,1360, &end # # 83 ASN QD 86 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1319,1320, igr2= 1359,1360, &end # # 83 ASN HA 84 SER H &rst iat= 1312,1324, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 84 SER QB 85 ASN H &rst iat= -1,1335, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1328,1329, &end # # 84 SER HA 86 ARG H &rst iat= 1326,1349, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 84 SER QB 86 ARG H &rst iat= -1,1349, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1328,1329, &end # # 84 SER HA 85 ASN H &rst iat= 1326,1335, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 ASN H 85 ASN QD &rst iat= 1335, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1344,1345, &end # # 85 ASN HA 85 ASN QD &rst iat= 1337, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1344,1345, &end # # 85 ASN QB 85 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1339,1340, igr2= 1344,1345, &end # # 85 ASN H 86 ARG QB &rst iat= 1335, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1353,1354, &end # # 85 ASN HA 86 ARG QB &rst iat= 1337, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1353,1354, &end # # 85 ASN QB 86 ARG H &rst iat= -1,1349, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1339,1340, &end # # 85 ASN QB 86 ARG HA &rst iat= -1,1351, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1339,1340, &end # # 85 ASN QD 86 ARG H &rst iat= -1,1349, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1344,1345, &end # # 85 ASN QD 86 ARG HA &rst iat= -1,1351, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1344,1345, &end # # 85 ASN HA 87 MET H &rst iat= 1337,1373, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 ASN QB 87 MET H &rst iat= -1,1373, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1339,1340, &end # # 85 ASN QD 87 MET H &rst iat= -1,1373, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1344,1345, &end # # 85 ASN HA 86 ARG H &rst iat= 1337,1349, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 ARG H 86 ARG QG &rst iat= 1349, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1356,1357, &end # # 86 ARG H 86 ARG QD &rst iat= 1349, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1359,1360, &end # # 86 ARG HA 86 ARG QG &rst iat= 1351, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1356,1357, &end # # 86 ARG HA 86 ARG QD &rst iat= 1351, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1359,1360, &end # # 86 ARG H 87 MET H &rst iat= 1349,1373, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 ARG HA 87 MET HA &rst iat= 1351,1375, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 ARG HA 87 MET QG &rst iat= 1351, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1380,1381, &end # # 86 ARG QB 87 MET H &rst iat= -1,1373, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1353,1354, &end # # 86 ARG QG 87 MET H &rst iat= -1,1373, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357, &end # # 86 ARG QG 87 MET QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357, igr2= 1377,1378, &end # # 86 ARG QG 87 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= 1356,1357, igr2= 1380,1381, &end # # 86 ARG QD 87 MET H &rst iat= -1,1373, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1359,1360, &end # # 86 ARG QD 87 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= 1359,1360, igr2= 1380,1381, &end # # 86 ARG H 88 GLY H &rst iat= 1349,1390, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 ARG HA 88 GLY H &rst iat= 1351,1390, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 86 ARG QG 88 GLY H &rst iat= -1,1390, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1356,1357, &end # # 86 ARG HA 87 MET H &rst iat= 1351,1373, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 MET H 87 MET QB &rst iat= 1373, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1377,1378, &end # # 87 MET H 87 MET QG &rst iat= 1373, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1380,1381, &end # # 87 MET HA 87 MET QG &rst iat= 1375, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1380,1381, &end # # 87 MET H 88 GLY H &rst iat= 1373,1390, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 MET H 88 GLY QA &rst iat= 1373, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1392,1393, &end # # 87 MET QB 88 GLY H &rst iat= -1,1390, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1377,1378, &end # # 87 MET QB 88 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1377,1378, igr2= 1392,1393, &end # # 87 MET QG 88 GLY H &rst iat= -1,1390, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1380,1381, &end # # 88 GLY H 89 ARG H &rst iat= 1390,1397, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 GLY H 89 ARG QB &rst iat= 1390, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1401,1402, &end # # 88 GLY QA 89 ARG H &rst iat= -1,1397, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1392,1393, &end # # 88 GLY QA 89 ARG HA &rst iat= -1,1399, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1392,1393, &end # # 88 GLY QA 89 ARG QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1392,1393, igr2= 1401,1402, &end # # 88 GLY H 90 THR QG2 &rst iat= 1390, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1427,1428,1429, &end # # 88 GLY QA 90 THR H &rst iat= -1,1421, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1392,1393, &end # # 88 GLY H 91 ASN H &rst iat= 1390,1435, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 ARG H 89 ARG QB &rst iat= 1397, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1401,1402, &end # # 89 ARG H 89 ARG QG &rst iat= 1397, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1404,1405, &end # # 89 ARG H 89 ARG QD &rst iat= 1397, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1407,1408, &end # # 89 ARG HA 89 ARG QG &rst iat= 1399, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1404,1405, &end # # 89 ARG HA 89 ARG QD &rst iat= 1399, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1407,1408, &end # # 89 ARG QB 89 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402, igr2= 1407,1408, &end # # 89 ARG H 90 THR H &rst iat= 1397,1421, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 ARG HA 90 THR H &rst iat= 1399,1421, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 ARG QB 90 THR H &rst iat= -1,1421, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402, &end # # 89 ARG QB 90 THR HB &rst iat= -1,1425, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402, &end # # 89 ARG H 91 ASN H &rst iat= 1397,1435, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 ARG QB 91 ASN HA &rst iat= -1,1437, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1401,1402, &end # # 90 THR H 90 THR HB &rst iat= 1421,1425, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 THR H 90 THR QG2 &rst iat= 1421, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1427,1428,1429, &end # # 90 THR HA 90 THR QG2 &rst iat= 1423, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1427,1428,1429, &end # # 90 THR H 91 ASN H &rst iat= 1421,1435, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 THR H 91 ASN HA &rst iat= 1421,1437, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 THR H 91 ASN QB &rst iat= 1421, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1439,1440, &end # # 90 THR HA 91 ASN H &rst iat= 1423,1435, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 THR HA 91 ASN HA &rst iat= 1423,1437, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 THR HA 91 ASN QB &rst iat= 1423, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1439,1440, &end # # 90 THR QG2 91 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1427,1428,1429, igr2= 1439,1440, &end # # 90 THR H 92 ASN H &rst iat= 1421,1449, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 THR H 92 ASN QB &rst iat= 1421, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1453,1454, &end # # 90 THR HA 92 ASN H &rst iat= 1423,1449, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 THR HB 92 ASN H &rst iat= 1425,1449, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 THR HB 92 ASN QB &rst iat= 1425, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1453,1454, &end # # 90 THR QG2 92 ASN H &rst iat= -1,1449, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1427,1428,1429, &end # # 90 THR QG2 92 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1427,1428,1429, igr2= 1453,1454, &end # # 91 ASN H 91 ASN QB &rst iat= 1435, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1439,1440, &end # # 91 ASN H 91 ASN QD &rst iat= 1435, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1444,1445, &end # # 91 ASN HA 91 ASN QD &rst iat= 1437, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1444,1445, &end # # 91 ASN QB 91 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1439,1440, igr2= 1444,1445, &end # # 91 ASN H 92 ASN H &rst iat= 1435,1449, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 91 ASN H 92 ASN QD &rst iat= 1435, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1458,1459, &end # # 91 ASN QD 92 ASN H &rst iat= -1,1449, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1444,1445, &end # # 91 ASN H 93 PHE H &rst iat= 1435,1463, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 91 ASN H 93 PHE QB &rst iat= 1435, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1467,1468, &end # # 91 ASN H 93 PHE QD &rst iat= 1435, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1471,1479, &end # # 91 ASN H 93 PHE QE &rst iat= 1435, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1473,1477, &end # # 91 ASN HA 93 PHE H &rst iat= 1437,1463, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 91 ASN HA 93 PHE QB &rst iat= 1437, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1467,1468, &end # # 91 ASN HA 93 PHE QD &rst iat= 1437, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1471,1479, &end # # 91 ASN HA 93 PHE QE &rst iat= 1437, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1473,1477, &end # # 91 ASN QB 93 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= 1439,1440, igr2= 1471,1479, &end # # 91 ASN QD 93 PHE H &rst iat= -1,1463, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1444,1445, &end # # 92 ASN H 92 ASN HA &rst iat= 1449,1451, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 92 ASN H 92 ASN QB &rst iat= 1449, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1453,1454, &end # # 92 ASN H 92 ASN QD &rst iat= 1449, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1458,1459, &end # # 92 ASN HA 92 ASN QD &rst iat= 1451, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1458,1459, &end # # 92 ASN QB 92 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1453,1454, igr2= 1458,1459, &end # # 92 ASN H 93 PHE H &rst iat= 1449,1463, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 92 ASN H 93 PHE HA &rst iat= 1449,1465, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 92 ASN H 93 PHE QB &rst iat= 1449, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1467,1468, &end # # 92 ASN H 93 PHE QD &rst iat= 1449, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1471,1479, &end # # 92 ASN H 93 PHE QE &rst iat= 1449, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1473,1477, &end # # 92 ASN HA 93 PHE H &rst iat= 1451,1463, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 92 ASN HA 93 PHE HA &rst iat= 1451,1465, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 92 ASN QB 93 PHE H &rst iat= -1,1463, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1453,1454, &end # # 92 ASN QB 93 PHE HA &rst iat= -1,1465, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1453,1454, &end # # 92 ASN QD 93 PHE H &rst iat= -1,1463, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1458,1459, &end # # 92 ASN QD 93 PHE HA &rst iat= -1,1465, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1458,1459, &end # # 92 ASN QD 93 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1458,1459, igr2= 1467,1468, &end # # 92 ASN QD 93 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= 1458,1459, igr2= 1471,1479, &end # # 92 ASN H 94 LYS H &rst iat= 1449,1483, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 92 ASN HA 94 LYS H &rst iat= 1451,1483, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 92 ASN HA 94 LYS QG &rst iat= 1451, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1490,1491, &end # # 92 ASN HA 94 LYS QE &rst iat= 1451, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1496,1497, &end # # 92 ASN QB 94 LYS H &rst iat= -1,1483, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1453,1454, &end # # 92 ASN QD 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= 1458,1459, igr2= 1496,1497, &end # # 92 ASN HA 96 ILE QD1 &rst iat= 1451, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1532,1533,1534, &end # # 92 ASN QB 96 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1453,1454, igr2= 1532,1533,1534, &end # # 92 ASN QD 96 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1458,1459, igr2= 1532,1533,1534, &end # # 93 PHE H 93 PHE QB &rst iat= 1463, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1467,1468, &end # # 93 PHE H 93 PHE QD &rst iat= 1463, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1471,1479, &end # # 93 PHE H 93 PHE QE &rst iat= 1463, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1473,1477, &end # # 93 PHE HA 93 PHE QD &rst iat= 1465, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1471,1479, &end # # 93 PHE H 94 LYS QG &rst iat= 1463, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1490,1491, &end # # 93 PHE H 94 LYS QE &rst iat= 1463, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1496,1497, &end # # 93 PHE HA 94 LYS H &rst iat= 1465,1483, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 93 PHE HA 94 LYS HA &rst iat= 1465,1485, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 93 PHE HA 94 LYS QG &rst iat= 1465, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1490,1491, &end # # 93 PHE QB 94 LYS H &rst iat= -1,1483, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1467,1468, &end # # 93 PHE QB 94 LYS HA &rst iat= -1,1485, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1467,1468, &end # # 93 PHE QD 94 LYS H &rst iat= -1,1483, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1471,1479, &end # # 93 PHE QD 94 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= 1471,1479, igr2= 1490,1491, &end # # 93 PHE QE 94 LYS H &rst iat= -1,1483, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1473,1477, &end # # 93 PHE HA 95 THR H &rst iat= 1465,1505, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 93 PHE QB 95 THR H &rst iat= -1,1505, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1467,1468, &end # # 93 PHE QD 95 THR H &rst iat= -1,1505, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1471,1479, &end # # 93 PHE HA 96 ILE QG1 &rst iat= 1465, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1529,1530, &end # # 93 PHE HA 96 ILE QD1 &rst iat= 1465, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1532,1533,1534, &end # # 93 PHE QB 96 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1467,1468, igr2= 1529,1530, &end # # 93 PHE QB 96 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1467,1468, igr2= 1532,1533,1534, &end # # 93 PHE QB 97 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1467,1468, igr2= 1548,1549, &end # # 93 PHE QD 97 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= 1471,1479, igr2= 1545,1546, &end # # 94 LYS H 94 LYS QB &rst iat= 1483, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1487,1488, &end # # 94 LYS H 94 LYS QG &rst iat= 1483, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1490,1491, &end # # 94 LYS H 94 LYS QE &rst iat= 1483, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1496,1497, &end # # 94 LYS HA 94 LYS QG &rst iat= 1485, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1490,1491, &end # # 94 LYS HA 94 LYS QE &rst iat= 1485, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1496,1497, &end # # 94 LYS QB 94 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= 1487,1488, igr2= 1496,1497, &end # # 94 LYS QG 94 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.13952, r4= 4.76672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1490,1491, igr2= 1496,1497, &end # # 94 LYS H 95 THR HB &rst iat= 1483,1509, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 94 LYS H 95 THR QG2 &rst iat= 1483, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1511,1512,1513, &end # # 94 LYS HA 95 THR H &rst iat= 1485,1505, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 94 LYS QB 95 THR H &rst iat= -1,1505, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1487,1488, &end # # 94 LYS QB 95 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1487,1488, igr2= 1511,1512,1513, &end # # 94 LYS QG 95 THR H &rst iat= -1,1505, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1490,1491, &end # # 94 LYS QG 95 THR HB &rst iat= -1,1509, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1490,1491, &end # # 94 LYS QE 95 THR H &rst iat= -1,1505, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1496,1497, &end # # 94 LYS H 96 ILE QD1 &rst iat= 1483, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1532,1533,1534, &end # # 94 LYS QB 96 ILE H &rst iat= -1,1519, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1487,1488, &end # # 94 LYS QG 96 ILE H &rst iat= -1,1519, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1490,1491, &end # # 95 THR H 95 THR HB &rst iat= 1505,1509, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 95 THR H 95 THR QG2 &rst iat= 1505, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1511,1512,1513, &end # # 95 THR HA 95 THR QG2 &rst iat= 1507, -1, r1= 0, r2= 0, r3= 3.72, r4= 4.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1511,1512,1513, &end # # 95 THR H 96 ILE H &rst iat= 1505,1519, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 95 THR H 96 ILE QG1 &rst iat= 1505, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1529,1530, &end # # 95 THR H 96 ILE QD1 &rst iat= 1505, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1532,1533,1534, &end # # 95 THR HA 96 ILE QG1 &rst iat= 1507, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1529,1530, &end # # 95 THR HB 96 ILE H &rst iat= 1509,1519, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 95 THR HB 96 ILE QG1 &rst iat= 1509, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1529,1530, &end # # 95 THR HB 96 ILE QD1 &rst iat= 1509, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1532,1533,1534, &end # # 95 THR QG2 96 ILE H &rst iat= -1,1519, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1511,1512,1513, &end # # 95 THR H 98 MET H &rst iat= 1505,1560, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 95 THR H 98 MET QG &rst iat= 1505, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1567,1568, &end # # 95 THR HA 98 MET QG &rst iat= 1507, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1567,1568, &end # # 95 THR HA 98 MET QE &rst iat= 1507, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1571,1572,1573, &end # # 95 THR QG2 98 MET H &rst iat= -1,1560, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1511,1512,1513, &end # # 95 THR QG2 98 MET QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1511,1512,1513, igr2= 1567,1568, &end # # 95 THR QG2 98 MET QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.92, r4= 8.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1511,1512,1513, igr2= 1571,1572,1573, &end # # 95 THR QG2 99 PHE QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1511,1512,1513, igr2= 1581,1582, &end # # 96 ILE H 96 ILE HB &rst iat= 1519,1523, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 96 ILE H 96 ILE QG1 &rst iat= 1519, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1529,1530, &end # # 96 ILE H 96 ILE QD1 &rst iat= 1519, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1532,1533,1534, &end # # 96 ILE HA 96 ILE QG1 &rst iat= 1521, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1529,1530, &end # # 96 ILE HA 96 ILE QG2 &rst iat= 1521, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1525,1526,1527, &end # # 96 ILE HA 96 ILE QD1 &rst iat= 1521, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1532,1533,1534, &end # # 96 ILE H 97 LYS QB &rst iat= 1519, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1542,1543, &end # # 96 ILE HA 97 LYS H &rst iat= 1521,1538, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 96 ILE HA 97 LYS HA &rst iat= 1521,1540, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 96 ILE HA 97 LYS QB &rst iat= 1521, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1542,1543, &end # # 96 ILE HA 97 LYS QE &rst iat= 1521, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1551,1552, &end # # 96 ILE HB 97 LYS H &rst iat= 1523,1538, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 96 ILE HB 97 LYS QB &rst iat= 1523, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1542,1543, &end # # 96 ILE QG1 97 LYS H &rst iat= -1,1538, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1529,1530, &end # # 96 ILE QG2 97 LYS H &rst iat= -1,1538, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1525,1526,1527, &end # # 96 ILE QG2 97 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1525,1526,1527, igr2= 1545,1546, &end # # 96 ILE QD1 97 LYS H &rst iat= -1,1538, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1532,1533,1534, &end # # 96 ILE QD1 97 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= 1532,1533,1534, igr2= 1551,1552, &end # # 96 ILE H 98 MET QE &rst iat= 1519, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1571,1572,1573, &end # # 96 ILE HA 98 MET QE &rst iat= 1521, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1571,1572,1573, &end # # 96 ILE QG1 98 MET H &rst iat= -1,1560, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1529,1530, &end # # 96 ILE QG2 98 MET H &rst iat= -1,1560, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1525,1526,1527, &end # # 96 ILE HA 99 PHE QD &rst iat= 1521, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1585,1593, &end # # 96 ILE QG2 99 PHE QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1525,1526,1527, igr2= 1585,1593, &end # # 96 ILE HA 100 GLU H &rst iat= 1521,1597, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 97 LYS H 97 LYS HA &rst iat= 1538,1540, r1= 0, r2= 0, r3= 2.7, r4= 3.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 97 LYS H 97 LYS QG &rst iat= 1538, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1545,1546, &end # # 97 LYS H 97 LYS QE &rst iat= 1538, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1551,1552, &end # # 97 LYS HA 97 LYS QG &rst iat= 1540, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1545,1546, &end # # 97 LYS HA 97 LYS QE &rst iat= 1540, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1551,1552, &end # # 97 LYS QB 97 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= 1542,1543, igr2= 1551,1552, &end # # 97 LYS QG 97 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= 1545,1546, igr2= 1551,1552, &end # # 97 LYS H 98 MET QG &rst iat= 1538, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1567,1568, &end # # 97 LYS QG 98 MET H &rst iat= -1,1560, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1545,1546, &end # # 97 LYS H 100 GLU QB &rst iat= 1538, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1601,1602, &end # # 97 LYS H 100 GLU QG &rst iat= 1538, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1604,1605, &end # # 97 LYS QE 100 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= 1551,1552, igr2= 1604,1605, &end # # 98 MET H 98 MET QB &rst iat= 1560, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1564,1565, &end # # 98 MET H 98 MET QG &rst iat= 1560, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1567,1568, &end # # 98 MET H 98 MET QE &rst iat= 1560, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1571,1572,1573, &end # # 98 MET HA 98 MET QG &rst iat= 1562, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1567,1568, &end # # 98 MET H 99 PHE H &rst iat= 1560,1577, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 98 MET H 99 PHE HA &rst iat= 1560,1579, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 98 MET H 99 PHE QB &rst iat= 1560, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1581,1582, &end # # 98 MET H 99 PHE QD &rst iat= 1560, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1585,1593, &end # # 98 MET QB 99 PHE H &rst iat= -1,1577, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1564,1565, &end # # 98 MET QB 99 PHE HA &rst iat= -1,1579, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1564,1565, &end # # 98 MET QB 99 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= 1564,1565, igr2= 1585,1593, &end # # 98 MET QG 99 PHE H &rst iat= -1,1577, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1567,1568, &end # # 99 PHE H 99 PHE QB &rst iat= 1577, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1581,1582, &end # # 99 PHE H 99 PHE QD &rst iat= 1577, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1585,1593, &end # # 99 PHE HA 99 PHE QD &rst iat= 1579, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1585,1593, &end # # 99 PHE H 100 GLU QB &rst iat= 1577, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1601,1602, &end # # 99 PHE H 100 GLU QG &rst iat= 1577, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1604,1605, &end # # 99 PHE HA 100 GLU HA &rst iat= 1579,1599, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 99 PHE QB 100 GLU H &rst iat= -1,1597, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1581,1582, &end # # 99 PHE QB 100 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= 1581,1582, igr2= 1604,1605, &end # # 99 PHE QD 100 GLU H &rst iat= -1,1597, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1585,1593, &end # # 99 PHE QD 100 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1585,1593, igr2= 1601,1602, &end # # 99 PHE QD 100 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= 1585,1593, igr2= 1604,1605, &end # # 100 GLU H 100 GLU QB &rst iat= 1597, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1601,1602, &end # # 100 GLU H 100 GLU QG &rst iat= 1597, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1604,1605, &end # # 100 GLU HA 100 GLU QG &rst iat= 1599, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1604,1605, &end # # 100 GLU HA 101 ASP H &rst iat= 1599,1612, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 100 GLU HA 101 ASP HA &rst iat= 1599,1614, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 100 GLU HA 101 ASP QB &rst iat= 1599, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1616,1617, &end # # 100 GLU QB 101 ASP HA &rst iat= -1,1614, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1601,1602, &end # # 101 ASP H 101 ASP QB &rst iat= 1612, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1616,1617, &end # # 101 ASP HA 102 ASP H &rst iat= 1614,1624, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 102 ASP H 102 ASP QB &rst iat= 1624, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1628,1629, &end # # 102 ASP H 103 VAL QG &rst iat= 1624, -1, r1= 0, r2= 0, r3= 6.885, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1642,1643,1644,1646,1647,1648, &end # # 102 ASP HA 103 VAL H &rst iat= 1626,1636, r1= 0, r2= 0, r3= 2.6, r4= 3.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 102 ASP HA 103 VAL HA &rst iat= 1626,1638, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 102 ASP HA 103 VAL HB &rst iat= 1626,1640, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 102 ASP HA 103 VAL QG &rst iat= 1626, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1642,1643,1644,1646,1647,1648, &end # # 102 ASP QB 103 VAL H &rst iat= -1,1636, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1628,1629, &end # # 102 ASP QB 103 VAL HA &rst iat= -1,1638, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1628,1629, &end # # 102 ASP QB 103 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1628,1629, igr2= 1642,1643,1644,1646,1647,1648, &end # # 102 ASP HA 104 SER H &rst iat= 1626,1652, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 102 ASP QB 104 SER H &rst iat= -1,1652, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1628,1629, &end # # 103 VAL H 103 VAL HB &rst iat= 1636,1640, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 VAL H 103 VAL QG &rst iat= 1636, -1, r1= 0, r2= 0, r3= 4.05, r4= 4.725, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1642,1643,1644,1646,1647,1648, &end # # 103 VAL HA 103 VAL QG &rst iat= 1638, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1642,1643,1644,1646,1647,1648, &end # # 103 VAL H 104 SER H &rst iat= 1636,1652, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 VAL H 104 SER HA &rst iat= 1636,1654, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 VAL HA 104 SER HA &rst iat= 1638,1654, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 VAL HB 104 SER H &rst iat= 1640,1652, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 VAL QG 104 SER H &rst iat= -1,1652, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1642,1643,1644,1646,1647,1648, &end # # 103 VAL QG 104 SER HA &rst iat= -1,1654, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1642,1643,1644,1646,1647,1648, &end # # 103 VAL QG 104 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1642,1643,1644,1646,1647,1648, igr2= 1656,1657, &end # # 103 VAL H 105 SER H &rst iat= 1636,1663, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 VAL HA 105 SER H &rst iat= 1638,1663, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 VAL HB 105 SER H &rst iat= 1640,1663, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 104 SER H 104 SER QB &rst iat= 1652, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1656,1657, &end # # 104 SER H 105 SER H &rst iat= 1652,1663, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 104 SER H 106 ALA QB &rst iat= 1652, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1678,1679,1680, &end # # 105 SER H 105 SER HA &rst iat= 1663,1665, r1= 0, r2= 0, r3= 2.8, r4= 3.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 105 SER H 105 SER QB &rst iat= 1663, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1667,1668, &end # # 105 SER HA 106 ALA H &rst iat= 1665,1674, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 106 ALA H 106 ALA QB &rst iat= 1674, -1, r1= 0, r2= 0, r3= 3.6, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1678,1679,1680, &end # # 106 ALA HA 107 SER H &rst iat= 1676,1684, r1= 0, r2= 0, r3= 2.7, r4= 3.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 106 ALA QB 107 SER H &rst iat= -1,1684, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1678,1679,1680, &end # # 107 SER H 107 SER QB &rst iat= 1684, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1688,1689, &end # # 107 SER HA 108 ALA H &rst iat= 1686,1695, r1= 0, r2= 0, r3= 2.7, r4= 3.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 107 SER HA 108 ALA QB &rst iat= 1686, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1699,1700,1701, &end # # 107 SER QB 108 ALA H &rst iat= -1,1695, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1688,1689, &end # # 107 SER H 109 GLN HA &rst iat= 1684,1707, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 107 SER HA 109 GLN H &rst iat= 1686,1705, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 107 SER QB 109 GLN H &rst iat= -1,1705, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1688,1689, &end # # 107 SER QB 109 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1688,1689, igr2= 1712,1713, &end # # 108 ALA H 108 ALA QB &rst iat= 1695, -1, r1= 0, r2= 0, r3= 3.72, r4= 4.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1699,1700,1701, &end # # 108 ALA H 109 GLN H &rst iat= 1695,1705, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 108 ALA H 109 GLN HA &rst iat= 1695,1707, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 108 ALA H 109 GLN QB &rst iat= 1695, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1709,1710, &end # # 108 ALA H 109 GLN QG &rst iat= 1695, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1712,1713, &end # # 108 ALA HA 109 GLN H &rst iat= 1697,1705, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 108 ALA HA 109 GLN QB &rst iat= 1697, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1709,1710, &end # # 108 ALA HA 109 GLN QG &rst iat= 1697, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1712,1713, &end # # 108 ALA QB 109 GLN H &rst iat= -1,1705, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1699,1700,1701, &end # # 108 ALA QB 109 GLN HA &rst iat= -1,1707, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1699,1700,1701, &end # # 108 ALA QB 109 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= 1699,1700,1701, igr2= 1712,1713, &end # # 108 ALA QB 109 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1699,1700,1701, igr2= 1717,1718, &end # # 109 GLN H 109 GLN QB &rst iat= 1705, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1709,1710, &end # # 109 GLN H 109 GLN QG &rst iat= 1705, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1712,1713, &end # # 109 GLN H 109 GLN QE &rst iat= 1705, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1717,1718, &end # # 109 GLN HA 109 GLN QG &rst iat= 1707, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1712,1713, &end # # 109 GLN QB 109 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1709,1710, igr2= 1712,1713, &end # # 109 GLN QB 109 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1709,1710, igr2= 1717,1718, &end # # 109 GLN QG 109 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1712,1713, igr2= 1717,1718, &end # # 109 GLN H 110 PRO QD &rst iat= 1705, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1723,1724, &end # # 109 GLN HA 110 PRO QG &rst iat= 1707, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1726,1727, &end # # 109 GLN HA 110 PRO QD &rst iat= 1707, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1723,1724, &end # # 109 GLN QB 110 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1709,1710, igr2= 1723,1724, &end # # 109 GLN QG 110 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1712,1713, igr2= 1723,1724, &end # # 109 GLN QE 110 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1717,1718, igr2= 1723,1724, &end # # 109 GLN QB 111 ASN H &rst iat= -1,1736, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1709,1710, &end # # 110 PRO HA 111 ASN H &rst iat= 1732,1736, r1= 0, r2= 0, r3= 2.6, r4= 3.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 110 PRO HA 111 ASN QB &rst iat= 1732, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1740,1741, &end # # 110 PRO QB 111 ASN H &rst iat= -1,1736, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1729,1730, &end # # 110 PRO QD 111 ASN H &rst iat= -1,1736, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1723,1724, &end # # 110 PRO QB 112 LEU H &rst iat= -1,1750, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1729,1730, &end # # 111 ASN H 111 ASN QB &rst iat= 1736, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1740,1741, &end # # 111 ASN H 111 ASN QD &rst iat= 1736, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1745,1746, &end # # 111 ASN HA 111 ASN QD &rst iat= 1738, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1745,1746, &end # # 111 ASN QB 111 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1740,1741, igr2= 1745,1746, &end # # 111 ASN H 112 LEU H &rst iat= 1736,1750, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 111 ASN H 112 LEU QD &rst iat= 1736, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1759,1760,1761,1763,1764,1765, &end # # 111 ASN HA 112 LEU H &rst iat= 1738,1750, r1= 0, r2= 0, r3= 2.8, r4= 3.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 111 ASN QB 112 LEU H &rst iat= -1,1750, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1740,1741, &end # # 112 LEU H 112 LEU QB &rst iat= 1750, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1754,1755, &end # # 112 LEU H 112 LEU QD &rst iat= 1750, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1759,1760,1761,1763,1764,1765, &end # # 112 LEU HA 112 LEU QD &rst iat= 1752, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1759,1760,1761,1763,1764,1765, &end # # 112 LEU H 113 PRO QD &rst iat= 1750, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1770,1771, &end # # 112 LEU HA 113 PRO QG &rst iat= 1752, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1773,1774, &end # # 112 LEU HA 113 PRO QD &rst iat= 1752, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1770,1771, &end # # 112 LEU QB 113 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1754,1755, igr2= 1770,1771, &end # # 112 LEU QD 113 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1759,1760,1761,1763,1764,1765, igr2= 1770,1771, &end #
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