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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620794 |
5nr5   |
34126 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: MATA_noes_amber.rst # 3 HIS HA 3 HIS HD2 &rst iat= 24,35, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 3 HIS HD2 4 MET H &rst iat= 35,39, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 4 MET HA 4 MET 3HG &rst iat= 41,47, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 4 MET HA 5 ALA HA &rst iat= 41,58, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 4 MET HA 5 ALA QB &rst iat= 41, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 60,61,62, &end # # 4 MET 3HG 5 ALA QB &rst iat= 47, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 60,61,62, &end # # 5 ALA HA 6 SER QB &rst iat= 58, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, 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= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 60,61,62, &end # # 5 ALA QB 6 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 60,61,62, igr2= 70,71, &end # # 5 ALA QB 7 MET H &rst iat= -1,77, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 60,61,62, &end # # 6 SER HA 6 SER QB &rst iat= 68, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 70,71, &end # # 6 SER HA 7 MET H &rst iat= 68,77, r1= 0, r2= 0, r3= 2.6, r4= 3.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 6 SER QB 7 MET H &rst iat= -1,77, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 70,71, &end # # 6 SER QB 8 ASP H &rst iat= -1,94, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 70,71, &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 HA 8 ASP H &rst iat= 79,94, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 7 MET QB 8 ASP H &rst iat= -1,94, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 81,82, &end # # 8 ASP H 8 ASP QB &rst iat= 94, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 98,99, &end # # 8 ASP H 9 PRO HA &rst iat= 94,116, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 8 ASP H 9 PRO QD &rst iat= 94, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 107,108, &end # # 8 ASP HA 9 PRO QG &rst iat= 96, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 110,111, &end # # 8 ASP HA 9 PRO QD &rst iat= 96, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 107,108, &end # # 8 ASP QB 9 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= 98,99, igr2= 107,108, &end # # 8 ASP QB 10 LEU H &rst iat= -1,120, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 98,99, &end # # 8 ASP QB 11 ASP H &rst iat= -1,139, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 98,99, &end # # 9 PRO HA 10 LEU H &rst iat= 116,120, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 PRO HA 10 LEU HA &rst iat= 116,122, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 9 PRO HA 10 LEU QD &rst iat= 116, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 129,130,131,133,134,135, &end # # 9 PRO QB 10 LEU H &rst iat= -1,120, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 113,114, &end # # 9 PRO QB 10 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 113,114, igr2= 129,130,131,133,134,135, &end # # 9 PRO QG 10 LEU H &rst iat= -1,120, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 110,111, &end # # 9 PRO QG 10 LEU HG &rst iat= -1,127, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 110,111, &end # # 9 PRO QG 10 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 110,111, igr2= 129,130,131,133,134,135, &end # # 9 PRO QD 10 LEU H &rst iat= -1,120, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 107,108, &end # # 9 PRO HA 11 ASP H &rst iat= 116,139, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 LEU H 10 LEU QB &rst iat= 120, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 124,125, &end # # 10 LEU H 10 LEU HG &rst iat= 120,127, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 LEU H 10 LEU QD &rst iat= 120, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 129,130,131,133,134,135, &end # # 10 LEU HA 10 LEU QD &rst iat= 122, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 129,130,131,133,134,135, &end # # 10 LEU H 11 ASP H &rst iat= 120,139, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 LEU H 11 ASP QB &rst iat= 120, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 143,144, &end # # 10 LEU HA 11 ASP H &rst iat= 122,139, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 LEU HA 11 ASP QB &rst iat= 122, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 143,144, &end # # 10 LEU QB 11 ASP H &rst iat= -1,139, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 124,125, &end # # 10 LEU QD 11 ASP H &rst iat= -1,139, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 129,130,131,133,134,135, &end # # 10 LEU H 12 LYS H &rst iat= 120,151, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 LEU HA 12 LYS QD &rst iat= 122, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 161,162, &end # # 10 LEU HA 13 ILE H &rst iat= 122,173, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 LEU HA 13 ILE QD1 &rst iat= 122, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 186,187,188, &end # # 10 LEU HA 14 ILE H &rst iat= 122,192, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 LEU HA 14 ILE HA &rst iat= 122,194, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 LEU HA 14 ILE HB &rst iat= 122,196, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 10 LEU QB 14 ILE HB &rst iat= -1,196, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 124,125, &end # # 10 LEU QB 14 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 124,125, igr2= 202,203, &end # # 10 LEU HG 14 ILE QG1 &rst iat= 127, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 202,203, &end # # 10 LEU QD 14 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 129,130,131,133,134,135, igr2= 202,203, &end # # 11 ASP H 11 ASP QB &rst iat= 139, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 143,144, &end # # 11 ASP HA 11 ASP QB &rst iat= 141, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 143,144, &end # # 11 ASP H 12 LYS H &rst iat= 139,151, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 ASP H 12 LYS QD &rst iat= 139, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 161,162, &end # # 11 ASP HA 12 LYS H &rst iat= 141,151, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 ASP QB 12 LYS H &rst iat= -1,151, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 143,144, &end # # 11 ASP QB 12 LYS HA &rst iat= -1,153, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 143,144, &end # # 11 ASP QB 12 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 143,144, igr2= 158,159, &end # # 11 ASP HA 13 ILE H &rst iat= 141,173, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 ASP QB 13 ILE H &rst iat= -1,173, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 143,144, &end # # 11 ASP HA 14 ILE H &rst iat= 141,192, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 11 ASP HA 14 ILE HB &rst iat= 141,196, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 LYS H 12 LYS QB &rst iat= 151, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 155,156, &end # # 12 LYS H 12 LYS QG &rst iat= 151, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 158,159, &end # # 12 LYS H 12 LYS QE &rst iat= 151, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 164,165, &end # # 12 LYS H 13 ILE H &rst iat= 151,173, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 LYS HA 13 ILE QG2 &rst iat= 153, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 179,180,181, &end # # 12 LYS QB 13 ILE H &rst iat= -1,173, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 155,156, &end # # 12 LYS QB 13 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= 155,156, igr2= 179,180,181, &end # # 12 LYS QG 13 ILE H &rst iat= -1,173, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 158,159, &end # # 12 LYS QD 13 ILE H &rst iat= -1,173, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 161,162, &end # # 12 LYS QE 13 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 164,165, igr2= 179,180,181, &end # # 12 LYS H 14 ILE HB &rst iat= 151,196, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 12 LYS QG 14 ILE H &rst iat= -1,192, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 158,159, &end # # 12 LYS QD 14 ILE H &rst iat= -1,192, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 161,162, &end # # 13 ILE H 13 ILE QG1 &rst iat= 173, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 183,184, &end # # 13 ILE H 13 ILE QD1 &rst iat= 173, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 186,187,188, &end # # 13 ILE HA 13 ILE QG2 &rst iat= 175, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 179,180,181, &end # # 13 ILE QG2 13 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 179,180,181, igr2= 183,184, &end # # 13 ILE H 14 ILE H &rst iat= 173,192, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 13 ILE QG1 14 ILE H &rst iat= -1,192, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 183,184, &end # # 13 ILE QD1 14 ILE H &rst iat= -1,192, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 186,187,188, &end # # 14 ILE H 14 ILE HA &rst iat= 192,194, r1= 0, r2= 0, r3= 2.8, r4= 3.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 ILE H 14 ILE HB &rst iat= 192,196, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 ILE H 14 ILE QG2 &rst iat= 192, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 198,199,200, &end # # 14 ILE HA 14 ILE QG1 &rst iat= 194, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 202,203, &end # # 14 ILE H 15 ASN H &rst iat= 192,211, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 ILE HA 15 ASN H &rst iat= 194,211, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 ILE HA 15 ASN HA &rst iat= 194,213, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 ILE HB 15 ASN H &rst iat= 196,211, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 14 ILE QG2 15 ASN HA &rst iat= -1,213, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 198,199,200, &end # # 14 ILE QG2 15 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 198,199,200, igr2= 215,216, &end # # 15 ASN H 15 ASN QB &rst iat= 211, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 215,216, &end # # 15 ASN HA 15 ASN QD &rst iat= 213, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 220,221, &end # # 15 ASN QB 15 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= 215,216, igr2= 220,221, &end # # 15 ASN H 16 ASP H &rst iat= 211,225, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 ASN HA 16 ASP H &rst iat= 213,225, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 ASN HA 16 ASP HA &rst iat= 213,227, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 ASN QB 16 ASP H &rst iat= -1,225, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 215,216, &end # # 15 ASN QB 16 ASP HA &rst iat= -1,227, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 215,216, &end # # 15 ASN QD 16 ASP QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 220,221, igr2= 229,230, &end # # 15 ASN HA 17 ILE H &rst iat= 213,237, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 ASN QB 17 ILE H &rst iat= -1,237, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 215,216, &end # # 15 ASN QD 17 ILE H &rst iat= -1,237, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 220,221, &end # # 15 ASN HA 18 LYS H &rst iat= 213,256, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 15 ASN QD 18 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= 220,221, igr2= 269,270, &end # # 15 ASN HA 19 LYS H &rst iat= 213,278, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 ASP H 16 ASP QB &rst iat= 225, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 229,230, &end # # 16 ASP H 17 ILE H &rst iat= 225,237, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 ASP H 17 ILE HA &rst iat= 225,239, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 ASP H 17 ILE QG2 &rst iat= 225, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 243,244,245, &end # # 16 ASP HA 17 ILE H &rst iat= 227,237, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 ASP HA 17 ILE QG2 &rst iat= 227, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 243,244,245, &end # # 16 ASP QB 17 ILE H &rst iat= -1,237, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 229,230, &end # # 16 ASP QB 17 ILE HA &rst iat= -1,239, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 229,230, &end # # 16 ASP HA 18 LYS H &rst iat= 227,256, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 16 ASP HA 19 LYS H &rst iat= 227,278, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 ILE H 17 ILE HB &rst iat= 237,241, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 ILE H 17 ILE QG2 &rst iat= 237, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 243,244,245, &end # # 17 ILE HA 17 ILE QG1 &rst iat= 239, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 247,248, &end # # 17 ILE H 18 LYS H &rst iat= 237,256, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 ILE H 18 LYS HA &rst iat= 237,258, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 ILE HA 18 LYS H &rst iat= 239,256, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 ILE HA 18 LYS HA &rst iat= 239,258, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 ILE HB 18 LYS H &rst iat= 241,256, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 ILE QG2 18 LYS H &rst iat= -1,256, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 243,244,245, &end # # 17 ILE QG2 18 LYS HA &rst iat= -1,258, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 243,244,245, &end # # 17 ILE H 19 LYS H &rst iat= 237,278, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 17 ILE HA 19 LYS H &rst iat= 239,278, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 LYS H 18 LYS QB &rst iat= 256, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 260,261, &end # # 18 LYS H 18 LYS QG &rst iat= 256, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 263,264, &end # # 18 LYS H 18 LYS QD &rst iat= 256, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 266,267, &end # # 18 LYS HA 18 LYS QG &rst iat= 258, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 263,264, &end # # 18 LYS QB 18 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.01408, r4= 4.64128, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 260,261, igr2= 266,267, &end # # 18 LYS H 19 LYS H &rst iat= 256,278, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 18 LYS QD 19 LYS H &rst iat= -1,278, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 266,267, &end # # 18 LYS QE 19 LYS H &rst iat= -1,278, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 269,270, &end # # 19 LYS H 19 LYS HA &rst iat= 278,280, r1= 0, r2= 0, r3= 2.8, r4= 3.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 LYS H 19 LYS QG &rst iat= 278, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 285,286, &end # # 19 LYS HA 19 LYS QB &rst iat= 280, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 282,283, &end # # 19 LYS HA 19 LYS QG &rst iat= 280, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 285,286, &end # # 19 LYS H 20 GLU H &rst iat= 278,300, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 19 LYS HA 20 GLU H &rst iat= 280,300, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 20 GLU HA 21 ALA H &rst iat= 302,315, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 20 GLU QB 21 ALA H &rst iat= -1,315, r1= 0, r2= 0, r3= 5.152, r4= 5.712, 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= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 307,308, igr2= 319,320,321, &end # # 21 ALA H 21 ALA QB &rst iat= 315, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 319,320,321, &end # # 21 ALA H 22 ASN HA &rst iat= 315,327, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 21 ALA QB 22 ASN H &rst iat= -1,325, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 319,320,321, &end # # 21 ALA QB 22 ASN HA &rst iat= -1,327, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 319,320,321, &end # # 21 ALA QB 22 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 319,320,321, igr2= 329,330, &end # # 21 ALA QB 23 ASP H &rst iat= -1,339, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 319,320,321, &end # # 22 ASN QB 23 ASP H &rst iat= -1,339, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 329,330, &end # # 22 ASN QD 23 ASP H &rst iat= -1,339, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 334,335, &end # # 23 ASP H 23 ASP QB &rst iat= 339, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 343,344, &end # # 23 ASP HA 23 ASP QB &rst iat= 341, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 343,344, &end # # 23 ASP HA 24 SER HA &rst iat= 341,353, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 ASP QB 24 SER H &rst iat= -1,351, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 343,344, &end # # 23 ASP HA 25 GLY H &rst iat= 341,362, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 23 ASP QB 25 GLY H &rst iat= -1,362, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 343,344, &end # # 23 ASP QB 26 VAL H &rst iat= -1,369, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 343,344, &end # # 23 ASP QB 26 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 343,344, igr2= 375,376,377,379,380,381, &end # # 24 SER H 25 GLY H &rst iat= 351,362, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 24 SER HA 25 GLY QA &rst iat= 353, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 364,365, &end # # 24 SER HA 26 VAL H &rst iat= 353,369, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 GLY H 26 VAL H &rst iat= 362,369, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 25 GLY H 26 VAL QG &rst iat= 362, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 375,376,377,379,380,381, &end # # 25 GLY QA 26 VAL H &rst iat= -1,369, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 364,365, &end # # 25 GLY QA 26 VAL HB &rst iat= -1,373, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 364,365, &end # # 25 GLY QA 26 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 364,365, igr2= 375,376,377,379,380,381, &end # # 25 GLY QA 27 THR H &rst iat= -1,385, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 364,365, &end # # 26 VAL H 26 VAL HB &rst iat= 369,373, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 VAL H 26 VAL QG &rst iat= 369, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 375,376,377,379,380,381, &end # # 26 VAL HA 26 VAL QG &rst iat= 371, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.995, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 375,376,377,379,380,381, &end # # 26 VAL H 27 THR H &rst iat= 369,385, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 VAL HA 27 THR H &rst iat= 371,385, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 VAL HB 27 THR H &rst iat= 373,385, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 26 VAL QG 27 THR H &rst iat= -1,385, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 375,376,377,379,380,381, &end # # 26 VAL QG 27 THR HA &rst iat= -1,387, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 375,376,377,379,380,381, &end # # 26 VAL QG 27 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.318, r4= 7.128, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 375,376,377,379,380,381, igr2= 391,392,393, &end # # 27 THR H 27 THR QG2 &rst iat= 385, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 391,392,393, &end # # 27 THR HA 27 THR HB &rst iat= 387,389, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 THR HA 28 LEU H &rst iat= 387,399, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 THR HA 28 LEU QB &rst iat= 387, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 403,404, &end # # 27 THR HA 28 LEU QD &rst iat= 387, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 408,409,410,412,413,414, &end # # 27 THR QG2 28 LEU H &rst iat= -1,399, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 391,392,393, &end # # 27 THR QG2 28 LEU HA &rst iat= -1,401, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 391,392,393, &end # # 27 THR QG2 28 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 391,392,393, igr2= 403,404, &end # # 27 THR QG2 28 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.346, r4= 6.156, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 391,392,393, igr2= 408,409,410,412,413,414, &end # # 27 THR HB 29 ALA H &rst iat= 389,418, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 27 THR QG2 29 ALA H &rst iat= -1,418, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 391,392,393, &end # # 27 THR QG2 29 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.472, r4= 6.192, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 391,392,393, igr2= 422,423,424, &end # # 28 LEU H 28 LEU HG &rst iat= 399,406, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 28 LEU H 28 LEU QD &rst iat= 399, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 408,409,410,412,413,414, &end # # 28 LEU HA 28 LEU HG &rst iat= 401,406, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 28 LEU HA 28 LEU QD &rst iat= 401, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 408,409,410,412,413,414, &end # # 28 LEU QB 28 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.9312, r4= 4.6872, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 403,404, igr2= 408,409,410,412,413,414, &end # # 28 LEU HA 29 ALA H &rst iat= 401,418, r1= 0, r2= 0, r3= 2.7, r4= 3.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 28 LEU HA 29 ALA HA &rst iat= 401,420, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 28 LEU HA 29 ALA QB &rst iat= 401, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 422,423,424, &end # # 28 LEU HG 29 ALA QB &rst iat= 406, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 422,423,424, &end # # 28 LEU QD 29 ALA H &rst iat= -1,418, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 408,409,410,412,413,414, &end # # 29 ALA H 29 ALA QB &rst iat= 418, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 422,423,424, &end # # 29 ALA H 30 PRO QD &rst iat= 418, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 429,430, &end # # 29 ALA HA 30 PRO QG &rst iat= 420, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 432,433, &end # # 29 ALA HA 30 PRO QD &rst iat= 420, -1, r1= 0, r2= 0, r3= 2.912, r4= 3.472, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 429,430, &end # # 29 ALA QB 30 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 422,423,424, igr2= 429,430, &end # # 30 PRO QB 31 LEU H &rst iat= -1,442, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 435,436, &end # # 30 PRO QG 31 LEU H &rst iat= -1,442, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 432,433, &end # # 30 PRO QD 31 LEU H &rst iat= -1,442, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 429,430, &end # # 30 PRO QG 35 LYS H &rst iat= -1,502, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 432,433, &end # # 30 PRO QG 35 LYS HA &rst iat= -1,504, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 432,433, &end # # 30 PRO QD 35 LYS H &rst iat= -1,502, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 429,430, &end # # 30 PRO QD 35 LYS HA &rst iat= -1,504, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 429,430, &end # # 30 PRO QD 35 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.13952, r4= 4.76672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 429,430, igr2= 506,507, &end # # 30 PRO QD 35 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 429,430, igr2= 509,510, &end # # 31 LEU H 31 LEU QB &rst iat= 442, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 446,447, &end # # 31 LEU H 31 LEU QD &rst iat= 442, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 451,452,453,455,456,457, &end # # 31 LEU HA 31 LEU QD &rst iat= 444, -1, r1= 0, r2= 0, r3= 4.995, r4= 5.67, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 451,452,453,455,456,457, &end # # 31 LEU H 32 SER H &rst iat= 442,461, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 31 LEU HA 32 SER H &rst iat= 444,461, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 31 LEU HA 32 SER QB &rst iat= 444, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 465,466, &end # # 31 LEU QB 32 SER H &rst iat= -1,461, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 446,447, &end # # 31 LEU QB 32 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 446,447, igr2= 465,466, &end # # 31 LEU QD 32 SER H &rst iat= -1,461, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 451,452,453,455,456,457, &end # # 31 LEU QD 32 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 451,452,453,455,456,457, igr2= 465,466, &end # # 31 LEU H 35 LYS HA &rst iat= 442,504, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 32 SER H 32 SER QB &rst iat= 461, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 465,466, &end # # 32 SER HA 32 SER QB &rst iat= 463, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 465,466, &end # # 32 SER H 33 VAL H &rst iat= 461,472, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 32 SER HA 33 VAL H &rst iat= 463,472, r1= 0, r2= 0, r3= 2.7, r4= 3.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 32 SER HA 33 VAL HB &rst iat= 463,476, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 32 SER QB 33 VAL H &rst iat= -1,472, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 465,466, &end # # 33 VAL H 33 VAL HB &rst iat= 472,476, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 33 VAL H 33 VAL QG &rst iat= 472, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 478,479,480,482,483,484, &end # # 33 VAL HA 33 VAL QG &rst iat= 474, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 478,479,480,482,483,484, &end # # 33 VAL HA 34 PRO QB &rst iat= 474, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 495,496, &end # # 33 VAL HB 34 PRO QD &rst iat= 476, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 489,490, &end # # 33 VAL QG 34 PRO HA &rst iat= -1,498, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 478,479,480,482,483,484, &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= 478,479,480,482,483,484, igr2= 492,493, &end # # 33 VAL QG 34 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 478,479,480,482,483,484, igr2= 489,490, &end # # 33 VAL HA 35 LYS H &rst iat= 474,502, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 33 VAL QG 35 LYS H &rst iat= -1,502, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 478,479,480,482,483,484, &end # # 33 VAL H 36 PRO QD &rst iat= 472, -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 QG 36 PRO QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 478,479,480,482,483,484, igr2= 531,532, &end # # 33 VAL QG 36 PRO QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 478,479,480,482,483,484, igr2= 528,529, &end # # 33 VAL QG 36 PRO QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 478,479,480,482,483,484, igr2= 525,526, &end # # 34 PRO HA 35 LYS H &rst iat= 498,502, r1= 0, r2= 0, r3= 2.5, r4= 3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 34 PRO HA 35 LYS QB &rst iat= 498, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 506,507, &end # # 34 PRO QB 35 LYS H &rst iat= -1,502, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 495,496, &end # # 34 PRO QB 35 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 495,496, igr2= 506,507, &end # # 35 LYS H 35 LYS QB &rst iat= 502, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 506,507, &end # # 35 LYS HA 35 LYS QG &rst iat= 504, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 509,510, &end # # 35 LYS QB 35 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 506,507, igr2= 509,510, &end # # 35 LYS QG 35 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.01056, r4= 3.63776, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 509,510, igr2= 512,513, &end # # 35 LYS QG 35 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.88864, r4= 4.51584, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 509,510, igr2= 515,516, &end # # 35 LYS HA 36 PRO HA &rst iat= 504,534, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 35 LYS HA 36 PRO QB &rst iat= 504, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 531,532, &end # # 35 LYS QG 36 PRO HA &rst iat= -1,534, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 509,510, &end # # 35 LYS QE 38 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 515,516, igr2= 569,570,571,573,574,575, &end # # 35 LYS QB 82 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 506,507, igr2= 1289,1290, &end # # 35 LYS QG 82 LYS H &rst iat= -1,1285, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 509,510, &end # # 35 LYS QG 82 LYS HA &rst iat= -1,1287, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 509,510, &end # # 35 LYS QG 82 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.01408, r4= 4.64128, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 509,510, igr2= 1289,1290, &end # # 35 LYS QE 82 LYS HA &rst iat= -1,1287, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 515,516, &end # # 35 LYS QE 82 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 515,516, igr2= 1289,1290, &end # # 35 LYS QG 83 ASN H &rst iat= -1,1307, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 509,510, &end # # 35 LYS QD 83 ASN H &rst iat= -1,1307, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 512,513, &end # # 35 LYS QD 83 ASN HA &rst iat= -1,1309, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 512,513, &end # # 35 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= 512,513, igr2= 1316,1317, &end # # 36 PRO HA 37 LYS H &rst iat= 534,538, r1= 0, r2= 0, r3= 2.3, r4= 2.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 36 PRO HA 37 LYS QG &rst iat= 534, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 545,546, &end # # 36 PRO QB 37 LYS H &rst iat= -1,538, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 531,532, &end # # 36 PRO QB 37 LYS HA &rst iat= -1,540, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 531,532, &end # # 36 PRO QB 37 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= 531,532, igr2= 542,543, &end # # 36 PRO QB 37 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 531,532, igr2= 545,546, &end # # 36 PRO QB 38 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= 531,532, igr2= 569,570,571,573,574,575, &end # # 36 PRO QG 38 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 528,529, igr2= 569,570,571,573,574,575, &end # # 37 LYS H 37 LYS QB &rst iat= 538, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 542,543, &end # # 37 LYS H 37 LYS QG &rst iat= 538, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 545,546, &end # # 37 LYS H 37 LYS QE &rst iat= 538, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 551,552, &end # # 37 LYS HA 37 LYS QB &rst iat= 540, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 542,543, &end # # 37 LYS QB 37 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.38688, r4= 4.01408, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 542,543, igr2= 545,546, &end # # 37 LYS QB 37 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 542,543, igr2= 551,552, &end # # 37 LYS HA 38 LEU H &rst iat= 540,560, r1= 0, r2= 0, r3= 2.3, r4= 2.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 LYS HA 38 LEU QD &rst iat= 540, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 569,570,571,573,574,575, &end # # 37 LYS QB 38 LEU H &rst iat= -1,560, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 542,543, &end # # 37 LYS QG 38 LEU H &rst iat= -1,560, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 545,546, &end # # 37 LYS HA 83 ASN H &rst iat= 540,1307, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 37 LYS HA 83 ASN QB &rst iat= 540, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1311,1312, &end # # 37 LYS HA 83 ASN QD &rst iat= 540, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1316,1317, &end # # 37 LYS QB 83 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 542,543, igr2= 1311,1312, &end # # 37 LYS QG 83 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= 545,546, igr2= 1311,1312, &end # # 37 LYS HA 84 SER H &rst iat= 540,1321, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 LEU H 38 LEU QB &rst iat= 560, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 564,565, &end # # 38 LEU H 38 LEU HG &rst iat= 560,567, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 LEU H 38 LEU QD &rst iat= 560, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 569,570,571,573,574,575, &end # # 38 LEU HA 38 LEU QD &rst iat= 562, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 569,570,571,573,574,575, &end # # 38 LEU QB 38 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 564,565, igr2= 569,570,571,573,574,575, &end # # 38 LEU H 39 GLU H &rst iat= 560,579, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 LEU H 39 GLU QG &rst iat= 560, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 586,587, &end # # 38 LEU HA 39 GLU H &rst iat= 562,579, r1= 0, r2= 0, r3= 2.3, r4= 2.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 LEU HA 39 GLU QB &rst iat= 562, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 583,584, &end # # 38 LEU HA 39 GLU QG &rst iat= 562, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 586,587, &end # # 38 LEU QB 39 GLU H &rst iat= -1,579, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 564,565, &end # # 38 LEU QD 39 GLU H &rst iat= -1,579, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 569,570,571,573,574,575, &end # # 38 LEU QD 39 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 569,570,571,573,574,575, igr2= 586,587, &end # # 38 LEU QB 79 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= 564,565, igr2= 1240,1241, &end # # 38 LEU QD 79 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 569,570,571,573,574,575, igr2= 1235,1236, &end # # 38 LEU QD 79 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= 569,570,571,573,574,575, igr2= 1240,1241, &end # # 38 LEU H 80 TYR HA &rst iat= 560,1247, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 38 LEU QB 80 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 564,565, igr2= 1253,1262, &end # # 38 LEU QB 80 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 564,565, igr2= 1255,1260, &end # # 38 LEU HG 80 TYR QE &rst iat= 567, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1255,1260, &end # # 38 LEU QD 80 TYR H &rst iat= -1,1245, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 569,570,571,573,574,575, &end # # 38 LEU QD 80 TYR HA &rst iat= -1,1247, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 569,570,571,573,574,575, &end # # 38 LEU QD 80 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 569,570,571,573,574,575, igr2= 1253,1262, &end # # 38 LEU QD 80 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 569,570,571,573,574,575, igr2= 1255,1260, &end # # 38 LEU 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= 564,565, igr2= 1316,1317, &end # # 38 LEU QD 83 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= 569,570,571,573,574,575, igr2= 1311,1312, &end # # 38 LEU QD 83 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= 569,570,571,573,574,575, igr2= 1316,1317, &end # # 39 GLU H 39 GLU QB &rst iat= 579, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 583,584, &end # # 39 GLU H 39 GLU QG &rst iat= 579, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 586,587, &end # # 39 GLU H 40 GLU H &rst iat= 579,594, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 39 GLU H 40 GLU QB &rst iat= 579, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 598,599, &end # # 39 GLU HA 40 GLU H &rst iat= 581,594, r1= 0, r2= 0, r3= 2.3, r4= 2.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 40 GLU H 40 GLU QB &rst iat= 594, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 598,599, &end # # 40 GLU H 40 GLU QG &rst iat= 594, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 601,602, &end # # 40 GLU H 41 LEU H &rst iat= 594,609, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 40 GLU H 41 LEU HA &rst iat= 594,611, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 40 GLU H 41 LEU HG &rst iat= 594,616, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 40 GLU H 41 LEU QD &rst iat= 594, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 618,619,620,622,623,624, &end # # 40 GLU HA 41 LEU H &rst iat= 596,609, r1= 0, r2= 0, r3= 2.3, r4= 2.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 40 GLU HA 41 LEU QD &rst iat= 596, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 618,619,620,622,623,624, &end # # 40 GLU QB 41 LEU H &rst iat= -1,609, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 598,599, &end # # 40 GLU QB 41 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 598,599, igr2= 618,619,620,622,623,624, &end # # 40 GLU QG 41 LEU H &rst iat= -1,609, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 601,602, &end # # 41 LEU H 41 LEU QB &rst iat= 609, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 613,614, &end # # 41 LEU H 41 LEU HG &rst iat= 609,616, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 LEU H 41 LEU QD &rst iat= 609, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 618,619,620,622,623,624, &end # # 41 LEU HA 41 LEU QD &rst iat= 611, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 618,619,620,622,623,624, &end # # 41 LEU QB 41 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 613,614, igr2= 618,619,620,622,623,624, &end # # 41 LEU H 42 SER H &rst iat= 609,628, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 LEU HA 42 SER H &rst iat= 611,628, r1= 0, r2= 0, r3= 2.3, r4= 2.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 LEU QB 42 SER H &rst iat= -1,628, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 613,614, &end # # 41 LEU QD 42 SER H &rst iat= -1,628, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, &end # # 41 LEU HA 45 GLN QB &rst iat= 611, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 675,676, &end # # 41 LEU QB 45 GLN H &rst iat= -1,671, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 613,614, &end # # 41 LEU QD 45 GLN H &rst iat= -1,671, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, &end # # 41 LEU QD 45 GLN HA &rst iat= -1,673, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, &end # # 41 LEU QD 45 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, igr2= 675,676, &end # # 41 LEU QD 45 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, igr2= 683,684, &end # # 41 LEU H 46 LYS HA &rst iat= 609,690, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 LEU H 46 LYS QE &rst iat= 609, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 701,702, &end # # 41 LEU HA 46 LYS H &rst iat= 611,688, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 41 LEU HA 46 LYS QB &rst iat= 611, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 692,693, &end # # 41 LEU QB 46 LYS H &rst iat= -1,688, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 613,614, &end # # 41 LEU QB 46 LYS HA &rst iat= -1,690, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 613,614, &end # # 41 LEU QB 46 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 613,614, igr2= 695,696, &end # # 41 LEU QD 46 LYS H &rst iat= -1,688, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, &end # # 41 LEU QD 46 LYS HA &rst iat= -1,690, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, &end # # 41 LEU QD 46 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, igr2= 692,693, &end # # 41 LEU QD 46 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, igr2= 695,696, &end # # 41 LEU QD 46 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, igr2= 701,702, &end # # 41 LEU QD 49 LEU H &rst iat= -1,748, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, &end # # 41 LEU QD 49 LEU HA &rst iat= -1,750, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, &end # # 41 LEU QD 49 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, igr2= 752,753, &end # # 41 LEU QD 49 LEU HG &rst iat= -1,755, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, &end # # 41 LEU QD 49 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= 618,619,620,622,623,624, igr2= 757,758,759,761,762,763, &end # # 41 LEU QD 50 ALA H &rst iat= -1,767, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, &end # # 41 LEU QD 70 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.561, r4= 7.47225, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, igr2= 1089,1090,1091,1093,1094,1095, &end # # 41 LEU QD 72 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.128, r4= 7.938, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, igr2= 1119,1120,1121, &end # # 41 LEU QD 72 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= 618,619,620,622,623,624, igr2= 1126,1127,1128, &end # # 41 LEU QD 76 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, igr2= 1187,1188, &end # # 41 LEU QD 76 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, igr2= 1190,1191, &end # # 41 LEU H 80 TYR QE &rst iat= 609, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1255,1260, &end # # 41 LEU HG 80 TYR QE &rst iat= 616, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1255,1260, &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= 618,619,620,622,623,624, igr2= 1253,1262, &end # # 41 LEU QD 80 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 618,619,620,622,623,624, igr2= 1255,1260, &end # # 42 SER H 42 SER QB &rst iat= 628, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 632,633, &end # # 42 SER H 43 GLU H &rst iat= 628,639, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 SER HA 43 GLU H &rst iat= 630,639, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 SER HA 43 GLU QB &rst iat= 630, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 643,644, &end # # 42 SER QB 43 GLU H &rst iat= -1,639, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 632,633, &end # # 42 SER QB 43 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 632,633, igr2= 643,644, &end # # 42 SER HA 44 GLN H &rst iat= 630,654, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 SER QB 44 GLN H &rst iat= -1,654, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 632,633, &end # # 42 SER H 45 GLN H &rst iat= 628,671, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 SER H 45 GLN HA &rst iat= 628,673, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 SER H 45 GLN QB &rst iat= 628, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 675,676, &end # # 42 SER H 45 GLN QG &rst iat= 628, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 678,679, &end # # 42 SER H 45 GLN QE &rst iat= 628, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 683,684, &end # # 42 SER HA 45 GLN H &rst iat= 630,671, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 42 SER QB 45 GLN H &rst iat= -1,671, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 632,633, &end # # 42 SER H 46 LYS H &rst iat= 628,688, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 GLU H 43 GLU QB &rst iat= 639, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 643,644, &end # # 43 GLU H 43 GLU QG &rst iat= 639, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 646,647, &end # # 43 GLU HA 43 GLU QG &rst iat= 641, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 646,647, &end # # 43 GLU QB 43 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 643,644, igr2= 646,647, &end # # 43 GLU H 44 GLN H &rst iat= 639,654, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 GLU QB 44 GLN H &rst iat= -1,654, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 643,644, &end # # 43 GLU QG 44 GLN H &rst iat= -1,654, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 646,647, &end # # 43 GLU QG 44 GLN HA &rst iat= -1,656, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 646,647, &end # # 43 GLU QG 44 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 646,647, igr2= 658,659, &end # # 43 GLU H 45 GLN H &rst iat= 639,671, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 GLU HA 45 GLN H &rst iat= 641,671, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 GLU QB 45 GLN H &rst iat= -1,671, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 643,644, &end # # 43 GLU HA 46 LYS H &rst iat= 641,688, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 GLU HA 46 LYS QG &rst iat= 641, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 695,696, &end # # 43 GLU HA 46 LYS QD &rst iat= 641, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 698,699, &end # # 43 GLU QB 46 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 643,644, igr2= 698,699, &end # # 43 GLU HA 47 ILE H &rst iat= 641,710, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 43 GLU HA 47 ILE QD1 &rst iat= 641, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 723,724,725, &end # # 43 GLU QB 47 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 643,644, igr2= 723,724,725, &end # # 43 GLU QG 47 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 646,647, igr2= 723,724,725, &end # # 44 GLN H 44 GLN QB &rst iat= 654, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 658,659, &end # # 44 GLN H 44 GLN QG &rst iat= 654, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 661,662, &end # # 44 GLN H 44 GLN QE &rst iat= 654, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 666,667, &end # # 44 GLN HA 44 GLN QG &rst iat= 656, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 661,662, &end # # 44 GLN HA 44 GLN QE &rst iat= 656, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 666,667, &end # # 44 GLN QB 44 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 658,659, igr2= 666,667, &end # # 44 GLN H 45 GLN H &rst iat= 654,671, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 GLN H 45 GLN QB &rst iat= 654, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 675,676, &end # # 44 GLN H 45 GLN QG &rst iat= 654, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 678,679, &end # # 44 GLN HA 45 GLN HA &rst iat= 656,673, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 GLN QB 45 GLN H &rst iat= -1,671, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 658,659, &end # # 44 GLN QG 45 GLN H &rst iat= -1,671, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 661,662, &end # # 44 GLN QE 45 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 666,667, igr2= 675,676, &end # # 44 GLN QE 45 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 666,667, igr2= 683,684, &end # # 44 GLN H 46 LYS H &rst iat= 654,688, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 GLN HA 46 LYS H &rst iat= 656,688, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 GLN HA 47 ILE H &rst iat= 656,710, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 GLN HA 47 ILE HA &rst iat= 656,712, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 GLN HA 47 ILE QG1 &rst iat= 656, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 720,721, &end # # 44 GLN HA 47 ILE QG2 &rst iat= 656, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 716,717,718, &end # # 44 GLN HA 47 ILE QD1 &rst iat= 656, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 723,724,725, &end # # 44 GLN QB 47 ILE H &rst iat= -1,710, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 658,659, &end # # 44 GLN HA 48 ILE H &rst iat= 656,729, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 44 GLN QB 48 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 658,659, igr2= 742,743,744, &end # # 44 GLN QG 48 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 661,662, igr2= 739,740, &end # # 44 GLN QG 48 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= 661,662, igr2= 742,743,744, &end # # 44 GLN QE 48 ILE H &rst iat= -1,729, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 666,667, &end # # 44 GLN QE 48 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= 666,667, igr2= 739,740, &end # # 44 GLN QE 48 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 666,667, igr2= 742,743,744, &end # # 45 GLN H 45 GLN QG &rst iat= 671, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 678,679, &end # # 45 GLN H 45 GLN QE &rst iat= 671, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 683,684, &end # # 45 GLN HA 45 GLN QE &rst iat= 673, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 683,684, &end # # 45 GLN 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= 675,676, igr2= 683,684, &end # # 45 GLN H 46 LYS H &rst iat= 671,688, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 45 GLN QB 46 LYS H &rst iat= -1,688, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 675,676, &end # # 45 GLN QG 46 LYS H &rst iat= -1,688, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 678,679, &end # # 45 GLN H 47 ILE H &rst iat= 671,710, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 45 GLN H 48 ILE H &rst iat= 671,729, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 45 GLN H 48 ILE QD1 &rst iat= 671, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 742,743,744, &end # # 45 GLN HA 48 ILE H &rst iat= 673,729, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 45 GLN HA 48 ILE QG1 &rst iat= 673, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 739,740, &end # # 45 GLN HA 48 ILE QD1 &rst iat= 673, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 742,743,744, &end # # 45 GLN HA 49 LEU H &rst iat= 673,748, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 45 GLN HA 70 LEU QD &rst iat= 673, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1089,1090,1091,1093,1094,1095, &end # # 45 GLN QB 70 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 675,676, igr2= 1089,1090,1091,1093,1094,1095, &end # # 45 GLN QG 70 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 678,679, igr2= 1089,1090,1091,1093,1094,1095, &end # # 45 GLN QE 70 LEU HA &rst iat= -1,1082, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 683,684, &end # # 45 GLN QE 70 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 683,684, igr2= 1084,1085, &end # # 45 GLN QE 70 LEU HG &rst iat= -1,1087, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 683,684, &end # # 45 GLN QE 70 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= 683,684, igr2= 1089,1090,1091,1093,1094,1095, &end # # 45 GLN QE 71 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= 683,684, igr2= 1108,1109, &end # # 45 GLN QE 72 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 683,684, igr2= 1119,1120,1121, &end # # 45 GLN QE 72 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 683,684, igr2= 1126,1127,1128, &end # # 46 LYS H 46 LYS QB &rst iat= 688, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 692,693, &end # # 46 LYS H 46 LYS QG &rst iat= 688, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 695,696, &end # # 46 LYS H 46 LYS QD &rst iat= 688, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 698,699, &end # # 46 LYS H 46 LYS QE &rst iat= 688, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 701,702, &end # # 46 LYS HA 46 LYS QG &rst iat= 690, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 695,696, &end # # 46 LYS QB 46 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 692,693, igr2= 698,699, &end # # 46 LYS H 47 ILE H &rst iat= 688,710, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 LYS H 47 ILE QG1 &rst iat= 688, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 720,721, &end # # 46 LYS H 47 ILE QD1 &rst iat= 688, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 723,724,725, &end # # 46 LYS QB 47 ILE H &rst iat= -1,710, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 692,693, &end # # 46 LYS QG 47 ILE H &rst iat= -1,710, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 695,696, &end # # 46 LYS QG 47 ILE HA &rst iat= -1,712, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 695,696, &end # # 46 LYS QG 47 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 695,696, igr2= 720,721, &end # # 46 LYS QD 47 ILE H &rst iat= -1,710, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 698,699, &end # # 46 LYS QG 48 ILE H &rst iat= -1,729, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 695,696, &end # # 46 LYS HA 49 LEU H &rst iat= 690,748, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 LYS HA 49 LEU HA &rst iat= 690,750, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 LYS HA 49 LEU QB &rst iat= 690, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 752,753, &end # # 46 LYS HA 49 LEU HG &rst iat= 690,755, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 LYS HA 49 LEU QD &rst iat= 690, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 757,758,759,761,762,763, &end # # 46 LYS QG 49 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= 695,696, igr2= 757,758,759,761,762,763, &end # # 46 LYS HA 50 ALA H &rst iat= 690,767, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 46 LYS H 70 LEU QD &rst iat= 688, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1089,1090,1091,1093,1094,1095, &end # # 47 ILE H 47 ILE HB &rst iat= 710,714, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 47 ILE H 47 ILE QG1 &rst iat= 710, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 720,721, &end # # 47 ILE H 47 ILE QD1 &rst iat= 710, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 723,724,725, &end # # 47 ILE HA 47 ILE QG1 &rst iat= 712, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 720,721, &end # # 47 ILE HA 47 ILE QG2 &rst iat= 712, -1, r1= 0, r2= 0, r3= 3.6, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 716,717,718, &end # # 47 ILE HB 47 ILE QD1 &rst iat= 714, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 723,724,725, &end # # 47 ILE QG2 47 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.4352, r4= 5.1072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 716,717,718, igr2= 720,721, &end # # 47 ILE HB 48 ILE H &rst iat= 714,729, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 47 ILE HA 49 LEU H &rst iat= 712,748, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 47 ILE HA 49 LEU QD &rst iat= 712, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 757,758,759,761,762,763, &end # # 47 ILE H 50 ALA H &rst iat= 710,767, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 47 ILE H 50 ALA QB &rst iat= 710, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 771,772,773, &end # # 47 ILE HA 50 ALA H &rst iat= 712,767, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 47 ILE HA 50 ALA QB &rst iat= 712, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 771,772,773, &end # # 47 ILE QG1 50 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= 720,721, igr2= 771,772,773, &end # # 47 ILE HB 51 GLU H &rst iat= 714,777, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 47 ILE QG2 51 GLU H &rst iat= -1,777, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 716,717,718, &end # # 47 ILE QG2 51 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 716,717,718, igr2= 781,782, &end # # 47 ILE QG2 51 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 716,717,718, igr2= 784,785, &end # # 48 ILE H 48 ILE HB &rst iat= 729,733, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 ILE H 48 ILE QG1 &rst iat= 729, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 739,740, &end # # 48 ILE H 48 ILE QG2 &rst iat= 729, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 735,736,737, &end # # 48 ILE HA 48 ILE QG1 &rst iat= 731, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 739,740, &end # # 48 ILE HA 48 ILE QG2 &rst iat= 731, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 735,736,737, &end # # 48 ILE QG2 48 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736,737, igr2= 739,740, &end # # 48 ILE H 49 LEU H &rst iat= 729,748, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 ILE H 49 LEU QB &rst iat= 729, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 752,753, &end # # 48 ILE H 49 LEU QD &rst iat= 729, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 757,758,759,761,762,763, &end # # 48 ILE HB 49 LEU H &rst iat= 733,748, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 ILE QG1 49 LEU H &rst iat= -1,748, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 739,740, &end # # 48 ILE QG2 49 LEU H &rst iat= -1,748, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736,737, &end # # 48 ILE QG2 49 LEU HA &rst iat= -1,750, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736,737, &end # # 48 ILE QD1 49 LEU H &rst iat= -1,748, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 742,743,744, &end # # 48 ILE H 50 ALA H &rst iat= 729,767, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 ILE H 50 ALA QB &rst iat= 729, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 771,772,773, &end # # 48 ILE H 51 GLU H &rst iat= 729,777, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 ILE HA 51 GLU H &rst iat= 731,777, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 ILE HA 51 GLU QB &rst iat= 731, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 781,782, &end # # 48 ILE HA 51 GLU QG &rst iat= 731, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 784,785, &end # # 48 ILE QG2 51 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736,737, igr2= 781,782, &end # # 48 ILE QG2 51 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736,737, igr2= 784,785, &end # # 48 ILE HA 52 TYR H &rst iat= 731,792, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 48 ILE QG2 52 TYR QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736,737, igr2= 796,797, &end # # 48 ILE QG2 69 LYS H &rst iat= -1,1058, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736,737, &end # # 48 ILE QG2 69 LYS HA &rst iat= -1,1060, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736,737, &end # # 48 ILE QG2 69 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736,737, igr2= 1062,1063, &end # # 48 ILE QG2 69 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736,737, igr2= 1071,1072, &end # # 48 ILE H 70 LEU QD &rst iat= 729, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1089,1090,1091,1093,1094,1095, &end # # 48 ILE HA 70 LEU QD &rst iat= 731, -1, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1089,1090,1091,1093,1094,1095, &end # # 48 ILE HB 70 LEU QD &rst iat= 733, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1089,1090,1091,1093,1094,1095, &end # # 48 ILE QG2 70 LEU HA &rst iat= -1,1082, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736,737, &end # # 48 ILE QG2 70 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 735,736,737, igr2= 1089,1090,1091,1093,1094,1095, &end # # 48 ILE QD1 70 LEU HA &rst iat= -1,1082, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 742,743,744, &end # # 48 ILE QD1 70 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.022, r4= 5.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 742,743,744, igr2= 1089,1090,1091,1093,1094,1095, &end # # 49 LEU H 49 LEU QB &rst iat= 748, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 752,753, &end # # 49 LEU H 49 LEU QD &rst iat= 748, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 757,758,759,761,762,763, &end # # 49 LEU HA 49 LEU HG &rst iat= 750,755, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 LEU HA 49 LEU QD &rst iat= 750, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 757,758,759,761,762,763, &end # # 49 LEU QB 49 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 752,753, igr2= 757,758,759,761,762,763, &end # # 49 LEU H 50 ALA H &rst iat= 748,767, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 LEU H 50 ALA QB &rst iat= 748, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 771,772,773, &end # # 49 LEU QB 50 ALA H &rst iat= -1,767, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 752,753, &end # # 49 LEU QD 50 ALA H &rst iat= -1,767, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 757,758,759,761,762,763, &end # # 49 LEU QD 50 ALA HA &rst iat= -1,769, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 757,758,759,761,762,763, &end # # 49 LEU QD 50 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.318, r4= 7.128, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 757,758,759,761,762,763, igr2= 771,772,773, &end # # 49 LEU H 51 GLU H &rst iat= 748,777, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 LEU H 52 TYR H &rst iat= 748,792, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 LEU H 52 TYR QB &rst iat= 748, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 796,797, &end # # 49 LEU HA 52 TYR H &rst iat= 750,792, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 49 LEU HA 52 TYR QB &rst iat= 750, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 796,797, &end # # 49 LEU HA 52 TYR QD &rst iat= 750, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 800,809, &end # # 49 LEU QD 52 TYR QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 757,758,759,761,762,763, igr2= 796,797, &end # # 49 LEU QD 52 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 757,758,759,761,762,763, igr2= 800,809, &end # # 49 LEU QD 53 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.614, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 757,758,759,761,762,763, igr2= 826,827,828, &end # # 49 LEU QD 61 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 757,758,759,761,762,763, igr2= 943,944,945, &end # # 49 LEU H 66 LEU QD &rst iat= 748, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1015,1016,1017,1019,1020,1021, &end # # 49 LEU HA 66 LEU QD &rst iat= 750, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1015,1016,1017,1019,1020,1021, &end # # 49 LEU QD 66 LEU HG &rst iat= -1,1013, r1= 0, r2= 0, r3= 4.725, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 757,758,759,761,762,763, &end # # 49 LEU QD 66 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= 757,758,759,761,762,763, igr2= 1015,1016,1017,1019,1020,1021, &end # # 49 LEU H 70 LEU QD &rst iat= 748, -1, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1089,1090,1091,1093,1094,1095, &end # # 49 LEU HA 70 LEU QD &rst iat= 750, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1089,1090,1091,1093,1094,1095, &end # # 49 LEU QB 70 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 752,753, igr2= 1084,1085, &end # # 49 LEU QB 70 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 752,753, igr2= 1089,1090,1091,1093,1094,1095, &end # # 49 LEU QD 70 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.01425, r4= 6.9255, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 757,758,759,761,762,763, igr2= 1089,1090,1091,1093,1094,1095, &end # # 49 LEU QB 80 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 752,753, igr2= 1253,1262, &end # # 49 LEU QB 80 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 752,753, igr2= 1255,1260, &end # # 49 LEU HG 80 TYR QD &rst iat= 755, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1253,1262, &end # # 49 LEU HG 80 TYR QE &rst iat= 755, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1255,1260, &end # # 49 LEU QD 80 TYR H &rst iat= -1,1245, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 757,758,759,761,762,763, &end # # 49 LEU QD 80 TYR QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 757,758,759,761,762,763, igr2= 1249,1250, &end # # 49 LEU QD 80 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.292, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 757,758,759,761,762,763, igr2= 1253,1262, &end # # 50 ALA H 50 ALA QB &rst iat= 767, -1, r1= 0, r2= 0, r3= 3.24, r4= 3.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 771,772,773, &end # # 50 ALA H 51 GLU H &rst iat= 767,777, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 ALA H 51 GLU QB &rst iat= 767, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 781,782, &end # # 50 ALA H 51 GLU QG &rst iat= 767, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 784,785, &end # # 50 ALA QB 51 GLU H &rst iat= -1,777, r1= 0, r2= 0, r3= 3.72, r4= 4.32, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 771,772,773, &end # # 50 ALA QB 51 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 771,772,773, igr2= 781,782, &end # # 50 ALA QB 51 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 771,772,773, igr2= 784,785, &end # # 50 ALA H 52 TYR H &rst iat= 767,792, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 ALA QB 52 TYR H &rst iat= -1,792, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 771,772,773, &end # # 50 ALA H 53 ILE QD1 &rst iat= 767, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 826,827,828, &end # # 50 ALA HA 53 ILE H &rst iat= 769,813, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 ALA HA 53 ILE HB &rst iat= 769,817, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 50 ALA HA 53 ILE QG1 &rst iat= 769, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 823,824, &end # # 50 ALA HA 53 ILE QD1 &rst iat= 769, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 826,827,828, &end # # 51 GLU H 51 GLU QB &rst iat= 777, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 781,782, &end # # 51 GLU H 51 GLU QG &rst iat= 777, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 784,785, &end # # 51 GLU HA 51 GLU QG &rst iat= 779, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 784,785, &end # # 51 GLU H 52 TYR H &rst iat= 777,792, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 GLU H 52 TYR HA &rst iat= 777,794, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 GLU H 52 TYR QB &rst iat= 777, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 796,797, &end # # 51 GLU HA 52 TYR HA &rst iat= 779,794, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 GLU QB 52 TYR H &rst iat= -1,792, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 781,782, &end # # 51 GLU QG 52 TYR H &rst iat= -1,792, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 784,785, &end # # 51 GLU HA 53 ILE H &rst iat= 779,813, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 GLU H 54 ALA H &rst iat= 777,832, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 GLU H 54 ALA QB &rst iat= 777, -1, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 836,837,838, &end # # 51 GLU HA 54 ALA H &rst iat= 779,832, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 51 GLU HA 54 ALA QB &rst iat= 779, -1, r1= 0, r2= 0, r3= 3, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 836,837,838, &end # # 51 GLU QB 54 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 781,782, igr2= 836,837,838, &end # # 51 GLU QG 54 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 784,785, igr2= 836,837,838, &end # # 52 TYR H 52 TYR QB &rst iat= 792, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 796,797, &end # # 52 TYR H 52 TYR QD &rst iat= 792, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 800,809, &end # # 52 TYR HA 52 TYR QD &rst iat= 794, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 800,809, &end # # 52 TYR H 53 ILE H &rst iat= 792,813, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 TYR H 53 ILE HA &rst iat= 792,815, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 TYR QB 53 ILE H &rst iat= -1,813, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 796,797, &end # # 52 TYR QD 53 ILE H &rst iat= -1,813, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 800,809, &end # # 52 TYR QD 53 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= 800,809, igr2= 826,827,828, &end # # 52 TYR QE 53 ILE HA &rst iat= -1,815, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,807, &end # # 52 TYR H 54 ALA H &rst iat= 792,832, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 TYR H 54 ALA QB &rst iat= 792, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 836,837,838, &end # # 52 TYR HA 54 ALA H &rst iat= 794,832, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 TYR QB 54 ALA H &rst iat= -1,832, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 796,797, &end # # 52 TYR QD 54 ALA H &rst iat= -1,832, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 800,809, &end # # 52 TYR H 55 GLU H &rst iat= 792,842, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 TYR HA 55 GLU H &rst iat= 794,842, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 TYR HA 55 GLU QB &rst iat= 794, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 846,847, &end # # 52 TYR QB 55 GLU H &rst iat= -1,842, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 796,797, &end # # 52 TYR QD 55 GLU H &rst iat= -1,842, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 800,809, &end # # 52 TYR QD 55 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 800,809, igr2= 846,847, &end # # 52 TYR QD 55 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 800,809, igr2= 849,850, &end # # 52 TYR HA 56 VAL H &rst iat= 794,857, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 52 TYR HA 56 VAL QG &rst iat= 794, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 863,864,865,867,868,869, &end # # 52 TYR QD 56 VAL H &rst iat= -1,857, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 800,809, &end # # 52 TYR QD 56 VAL HB &rst iat= -1,861, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 800,809, &end # # 52 TYR QD 56 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 800,809, igr2= 863,864,865,867,868,869, &end # # 52 TYR QE 56 VAL H &rst iat= -1,857, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,807, &end # # 52 TYR QE 56 VAL HB &rst iat= -1,861, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,807, &end # # 52 TYR QE 56 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,807, igr2= 863,864,865,867,868,869, &end # # 52 TYR QD 57 GLY H &rst iat= -1,873, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 800,809, &end # # 52 TYR HA 61 ILE QG2 &rst iat= 794, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 936,937,938, &end # # 52 TYR QD 61 ILE HB &rst iat= -1,934, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 800,809, &end # # 52 TYR QD 61 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= 800,809, igr2= 936,937,938, &end # # 52 TYR QD 61 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 800,809, igr2= 943,944,945, &end # # 52 TYR QE 61 ILE H &rst iat= -1,930, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,807, &end # # 52 TYR QE 61 ILE HA &rst iat= -1,932, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,807, &end # # 52 TYR QE 61 ILE HB &rst iat= -1,934, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,807, &end # # 52 TYR QE 61 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,807, igr2= 936,937,938, &end # # 52 TYR QE 61 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,807, igr2= 943,944,945, &end # # 52 TYR QD 62 THR H &rst iat= -1,949, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 800,809, &end # # 52 TYR QE 62 THR H &rst iat= -1,949, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,807, &end # # 52 TYR QD 65 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= 800,809, igr2= 998,999,1000, &end # # 52 TYR QE 65 THR H &rst iat= -1,992, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,807, &end # # 52 TYR QE 65 THR HB &rst iat= -1,996, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,807, &end # # 52 TYR QE 65 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,807, igr2= 998,999,1000, &end # # 52 TYR QB 66 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= 796,797, igr2= 1015,1016,1017,1019,1020,1021, &end # # 52 TYR QD 66 LEU H &rst iat= -1,1006, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 800,809, &end # # 52 TYR QD 66 LEU HA &rst iat= -1,1008, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 800,809, &end # # 52 TYR QD 66 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 800,809, igr2= 1015,1016,1017,1019,1020,1021, &end # # 52 TYR QE 66 LEU H &rst iat= -1,1006, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,807, &end # # 52 TYR QE 66 LEU HA &rst iat= -1,1008, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,807, &end # # 52 TYR QE 66 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,807, igr2= 1010,1011, &end # # 52 TYR QE 66 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.6872, r4= 5.4432, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,807, igr2= 1015,1016,1017,1019,1020,1021, &end # # 52 TYR QE 67 SER H &rst iat= -1,1025, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 802,807, &end # # 52 TYR HA 69 LYS QE &rst iat= 794, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1071,1072, &end # # 52 TYR QB 69 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 796,797, igr2= 1068,1069, &end # # 52 TYR QB 69 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= 796,797, igr2= 1071,1072, &end # # 52 TYR QD 69 LYS H &rst iat= -1,1058, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 800,809, &end # # 52 TYR QD 69 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 800,809, igr2= 1068,1069, &end # # 52 TYR QD 69 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= 800,809, igr2= 1071,1072, &end # # 52 TYR QE 69 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= 802,807, igr2= 1071,1072, &end # # 52 TYR QD 70 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 800,809, igr2= 1089,1090,1091,1093,1094,1095, &end # # 53 ILE H 53 ILE HB &rst iat= 813,817, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE H 53 ILE QG1 &rst iat= 813, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 823,824, &end # # 53 ILE H 53 ILE QG2 &rst iat= 813, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 819,820,821, &end # # 53 ILE H 53 ILE QD1 &rst iat= 813, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 826,827,828, &end # # 53 ILE HA 53 ILE QG1 &rst iat= 815, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 823,824, &end # # 53 ILE HA 53 ILE QG2 &rst iat= 815, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 819,820,821, &end # # 53 ILE HA 53 ILE QD1 &rst iat= 815, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 826,827,828, &end # # 53 ILE HB 53 ILE QD1 &rst iat= 817, -1, r1= 0, r2= 0, r3= 3.72, r4= 4.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 826,827,828, &end # # 53 ILE QG2 53 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 819,820,821, igr2= 823,824, &end # # 53 ILE H 54 ALA H &rst iat= 813,832, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE H 54 ALA QB &rst iat= 813, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 836,837,838, &end # # 53 ILE HB 54 ALA H &rst iat= 817,832, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE HB 54 ALA QB &rst iat= 817, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 836,837,838, &end # # 53 ILE QG2 54 ALA H &rst iat= -1,832, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 819,820,821, &end # # 53 ILE QG2 54 ALA HA &rst iat= -1,834, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 819,820,821, &end # # 53 ILE QG2 54 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.768, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 819,820,821, igr2= 836,837,838, &end # # 53 ILE QD1 54 ALA H &rst iat= -1,832, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 826,827,828, &end # # 53 ILE H 55 GLU H &rst iat= 813,842, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE HA 55 GLU H &rst iat= 815,842, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE HB 55 GLU H &rst iat= 817,842, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE QG2 55 GLU H &rst iat= -1,842, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 819,820,821, &end # # 53 ILE HA 56 VAL H &rst iat= 815,857, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE HA 56 VAL QG &rst iat= 815, -1, r1= 0, r2= 0, r3= 5.13, r4= 5.805, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 863,864,865,867,868,869, &end # # 53 ILE HB 56 VAL H &rst iat= 817,857, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE QG2 56 VAL H &rst iat= -1,857, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 819,820,821, &end # # 53 ILE QG1 56 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 823,824, igr2= 863,864,865,867,868,869, &end # # 53 ILE H 57 GLY H &rst iat= 813,873, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE HA 57 GLY H &rst iat= 815,873, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE QG1 57 GLY H &rst iat= -1,873, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 823,824, &end # # 53 ILE QG2 57 GLY H &rst iat= -1,873, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 819,820,821, &end # # 53 ILE QG2 57 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 819,820,821, igr2= 875,876, &end # # 53 ILE H 58 LEU HA &rst iat= 813,882, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE HA 58 LEU H &rst iat= 815,880, 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= 815,882, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 53 ILE HA 58 LEU QD &rst iat= 815, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 889,890,891,893,894,895, &end # # 53 ILE QG2 58 LEU H &rst iat= -1,880, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 819,820,821, &end # # 53 ILE QG1 58 LEU HA &rst iat= -1,882, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 823,824, &end # # 53 ILE QG2 58 LEU HA &rst iat= -1,882, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 819,820,821, &end # # 53 ILE QG1 58 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 823,824, igr2= 884,885, &end # # 53 ILE QG2 58 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 819,820,821, igr2= 884,885, &end # # 53 ILE QD1 58 LEU HA &rst iat= -1,882, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 826,827,828, &end # # 53 ILE QG2 59 GLN H &rst iat= -1,899, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 819,820,821, &end # # 53 ILE H 61 ILE QG2 &rst iat= 813, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 936,937,938, &end # # 53 ILE H 61 ILE QD1 &rst iat= 813, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 943,944,945, &end # # 53 ILE HA 61 ILE QG2 &rst iat= 815, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 936,937,938, &end # # 53 ILE HA 61 ILE QD1 &rst iat= 815, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 943,944,945, &end # # 53 ILE QG1 61 ILE H &rst iat= -1,930, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 823,824, &end # # 53 ILE QG1 61 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 823,824, igr2= 940,941, &end # # 53 ILE QG1 61 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 823,824, igr2= 936,937,938, &end # # 53 ILE QG2 61 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 819,820,821, igr2= 936,937,938, &end # # 53 ILE QG1 61 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 823,824, igr2= 943,944,945, &end # # 53 ILE H 66 LEU QD &rst iat= 813, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1015,1016,1017,1019,1020,1021, &end # # 53 ILE QD1 66 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.642, r4= 7.452, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 826,827,828, igr2= 1015,1016,1017,1019,1020,1021, &end # # 54 ALA H 54 ALA QB &rst iat= 832, -1, r1= 0, r2= 0, r3= 3.12, r4= 3.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 836,837,838, &end # # 54 ALA H 55 GLU H &rst iat= 832,842, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 ALA H 55 GLU QB &rst iat= 832, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 846,847, &end # # 54 ALA QB 55 GLU H &rst iat= -1,842, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 836,837,838, &end # # 54 ALA QB 55 GLU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 836,837,838, igr2= 846,847, &end # # 54 ALA H 56 VAL H &rst iat= 832,857, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 ALA H 56 VAL QG &rst iat= 832, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 863,864,865,867,868,869, &end # # 54 ALA QB 56 VAL H &rst iat= -1,857, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 836,837,838, &end # # 54 ALA H 57 GLY H &rst iat= 832,873, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 54 ALA HA 57 GLY H &rst iat= 834,873, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 GLU H 55 GLU QB &rst iat= 842, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 846,847, &end # # 55 GLU HA 55 GLU QG &rst iat= 844, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 849,850, &end # # 55 GLU QB 55 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= 846,847, igr2= 849,850, &end # # 55 GLU H 56 VAL H &rst iat= 842,857, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 GLU H 56 VAL HA &rst iat= 842,859, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 GLU H 56 VAL QG &rst iat= 842, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 863,864,865,867,868,869, &end # # 55 GLU HA 56 VAL QG &rst iat= 844, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 863,864,865,867,868,869, &end # # 55 GLU QB 56 VAL H &rst iat= -1,857, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 846,847, &end # # 55 GLU QB 56 VAL HA &rst iat= -1,859, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 846,847, &end # # 55 GLU QB 56 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.292, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 846,847, igr2= 863,864,865,867,868,869, &end # # 55 GLU QG 56 VAL H &rst iat= -1,857, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850, &end # # 55 GLU QG 56 VAL HA &rst iat= -1,859, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850, &end # # 55 GLU QG 56 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 849,850, igr2= 863,864,865,867,868,869, &end # # 55 GLU H 57 GLY H &rst iat= 842,873, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 55 GLU QB 57 GLY H &rst iat= -1,873, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 846,847, &end # # 56 VAL H 56 VAL QG &rst iat= 857, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 863,864,865,867,868,869, &end # # 56 VAL HA 56 VAL QG &rst iat= 859, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 863,864,865,867,868,869, &end # # 56 VAL H 57 GLY H &rst iat= 857,873, r1= 0, r2= 0, r3= 3.1, r4= 3.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 VAL H 57 GLY QA &rst iat= 857, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 875,876, &end # # 56 VAL HB 57 GLY H &rst iat= 861,873, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 VAL QG 57 GLY H &rst iat= -1,873, r1= 0, r2= 0, r3= 4.995, r4= 5.67, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 863,864,865,867,868,869, &end # # 56 VAL QG 57 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 863,864,865,867,868,869, igr2= 875,876, &end # # 56 VAL QG 58 LEU H &rst iat= -1,880, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 863,864,865,867,868,869, &end # # 56 VAL QG 59 GLN H &rst iat= -1,899, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 863,864,865,867,868,869, &end # # 56 VAL H 60 ASN QD &rst iat= 857, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 925,926, &end # # 56 VAL HA 60 ASN QD &rst iat= 859, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 925,926, &end # # 56 VAL HB 60 ASN H &rst iat= 861,916, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 56 VAL HB 60 ASN QB &rst iat= 861, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 920,921, &end # # 56 VAL HB 60 ASN QD &rst iat= 861, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 925,926, &end # # 56 VAL QG 60 ASN H &rst iat= -1,916, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 863,864,865,867,868,869, &end # # 56 VAL QG 60 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 863,864,865,867,868,869, igr2= 920,921, &end # # 56 VAL QG 60 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 863,864,865,867,868,869, igr2= 925,926, &end # # 56 VAL H 61 ILE QG2 &rst iat= 857, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 936,937,938, &end # # 56 VAL HB 61 ILE QG2 &rst iat= 861, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 936,937,938, &end # # 56 VAL QG 61 ILE H &rst iat= -1,930, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 863,864,865,867,868,869, &end # # 56 VAL QG 61 ILE HA &rst iat= -1,932, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 863,864,865,867,868,869, &end # # 56 VAL QG 61 ILE HB &rst iat= -1,934, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 863,864,865,867,868,869, &end # # 56 VAL QG 61 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.67, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 863,864,865,867,868,869, igr2= 936,937,938, &end # # 57 GLY H 58 LEU H &rst iat= 873,880, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 GLY QA 58 LEU H &rst iat= -1,880, r1= 0, r2= 0, r3= 3.136, r4= 3.696, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 875,876, &end # # 57 GLY QA 58 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 875,876, igr2= 884,885, &end # # 57 GLY H 59 GLN H &rst iat= 873,899, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 57 GLY QA 59 GLN H &rst iat= -1,899, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 875,876, &end # # 57 GLY QA 59 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= 875,876, igr2= 911,912, &end # # 57 GLY H 60 ASN QD &rst iat= 873, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 925,926, &end # # 57 GLY QA 60 ASN H &rst iat= -1,916, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 875,876, &end # # 57 GLY QA 60 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 875,876, igr2= 925,926, &end # # 57 GLY H 61 ILE QG2 &rst iat= 873, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 936,937,938, &end # # 58 LEU H 58 LEU QB &rst iat= 880, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 884,885, &end # # 58 LEU H 58 LEU QD &rst iat= 880, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 889,890,891,893,894,895, &end # # 58 LEU HA 58 LEU QD &rst iat= 882, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 889,890,891,893,894,895, &end # # 58 LEU QB 58 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= 884,885, igr2= 889,890,891,893,894,895, &end # # 58 LEU H 59 GLN H &rst iat= 880,899, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 LEU HA 59 GLN H &rst iat= 882,899, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 LEU H 59 GLN QB &rst iat= 880, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 903,904, &end # # 58 LEU H 59 GLN QE &rst iat= 880, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 911,912, &end # # 58 LEU QB 59 GLN H &rst iat= -1,899, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 884,885, &end # # 58 LEU QB 59 GLN HA &rst iat= -1,901, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 884,885, &end # # 58 LEU QB 59 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 884,885, igr2= 903,904, &end # # 58 LEU QB 59 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= 884,885, igr2= 911,912, &end # # 58 LEU QD 59 GLN H &rst iat= -1,899, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 889,890,891,893,894,895, &end # # 58 LEU QD 59 GLN HA &rst iat= -1,901, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 889,890,891,893,894,895, &end # # 58 LEU QD 59 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 889,890,891,893,894,895, igr2= 911,912, &end # # 58 LEU H 60 ASN H &rst iat= 880,916, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 LEU H 60 ASN QD &rst iat= 880, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 925,926, &end # # 58 LEU HA 60 ASN H &rst iat= 882,916, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 LEU QB 60 ASN H &rst iat= -1,916, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 884,885, &end # # 58 LEU QD 60 ASN H &rst iat= -1,916, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 889,890,891,893,894,895, &end # # 58 LEU H 61 ILE H &rst iat= 880,930, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 LEU H 61 ILE QG2 &rst iat= 880, -1, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 936,937,938, &end # # 58 LEU H 61 ILE QD1 &rst iat= 880, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 943,944,945, &end # # 58 LEU HA 61 ILE H &rst iat= 882,930, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 58 LEU HA 61 ILE QG2 &rst iat= 882, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 936,937,938, &end # # 58 LEU HA 61 ILE QD1 &rst iat= 882, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 943,944,945, &end # # 58 LEU QD 61 ILE H &rst iat= -1,930, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 889,890,891,893,894,895, &end # # 58 LEU QD 61 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.022, r4= 5.832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 889,890,891,893,894,895, igr2= 943,944,945, &end # # 58 LEU QD 84 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 889,890,891,893,894,895, igr2= 1325,1326, &end # # 58 LEU QD 85 ASN HA &rst iat= -1,1334, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 889,890,891,893,894,895, &end # # 58 LEU QD 85 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 889,890,891,893,894,895, igr2= 1336,1337, &end # # 58 LEU QB 88 GLY H &rst iat= -1,1389, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 884,885, &end # # 58 LEU QB 88 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 884,885, igr2= 1391,1392, &end # # 58 LEU QD 88 GLY H &rst iat= -1,1389, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 889,890,891,893,894,895, &end # # 58 LEU QD 88 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 889,890,891,893,894,895, igr2= 1391,1392, &end # # 59 GLN H 59 GLN QB &rst iat= 899, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 903,904, &end # # 59 GLN H 59 GLN QG &rst iat= 899, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 906,907, &end # # 59 GLN H 59 GLN QE &rst iat= 899, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 911,912, &end # # 59 GLN HA 59 GLN QG &rst iat= 901, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 906,907, &end # # 59 GLN HA 59 GLN QE &rst iat= 901, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 911,912, &end # # 59 GLN QG 59 GLN QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 906,907, igr2= 911,912, &end # # 59 GLN H 60 ASN H &rst iat= 899,916, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 GLN H 60 ASN QB &rst iat= 899, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 920,921, &end # # 59 GLN H 60 ASN QD &rst iat= 899, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 925,926, &end # # 59 GLN QB 60 ASN H &rst iat= -1,916, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 903,904, &end # # 59 GLN 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= 903,904, igr2= 925,926, &end # # 59 GLN QG 60 ASN H &rst iat= -1,916, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 906,907, &end # # 59 GLN QG 60 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 906,907, igr2= 925,926, &end # # 59 GLN QE 60 ASN H &rst iat= -1,916, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 911,912, &end # # 59 GLN QE 60 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 911,912, igr2= 925,926, &end # # 59 GLN H 61 ILE H &rst iat= 899,930, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 59 GLN H 61 ILE QG2 &rst iat= 899, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 936,937,938, &end # # 60 ASN H 60 ASN QB &rst iat= 916, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 920,921, &end # # 60 ASN H 60 ASN QD &rst iat= 916, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 925,926, &end # # 60 ASN HA 60 ASN QD &rst iat= 918, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 925,926, &end # # 60 ASN QB 60 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= 920,921, igr2= 925,926, &end # # 60 ASN H 61 ILE H &rst iat= 916,930, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 ASN H 61 ILE QG1 &rst iat= 916, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 940,941, &end # # 60 ASN H 61 ILE QG2 &rst iat= 916, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 936,937,938, &end # # 60 ASN H 61 ILE QD1 &rst iat= 916, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 943,944,945, &end # # 60 ASN HA 61 ILE H &rst iat= 918,930, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 60 ASN QB 61 ILE H &rst iat= -1,930, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 920,921, &end # # 60 ASN QB 61 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 920,921, igr2= 936,937,938, &end # # 60 ASN QD 61 ILE H &rst iat= -1,930, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 925,926, &end # # 60 ASN QD 61 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= 925,926, igr2= 936,937,938, &end # # 61 ILE H 61 ILE HB &rst iat= 930,934, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 61 ILE H 61 ILE QG1 &rst iat= 930, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 940,941, &end # # 61 ILE H 61 ILE QG2 &rst iat= 930, -1, r1= 0, r2= 0, r3= 4.08, r4= 4.68, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 936,937,938, &end # # 61 ILE H 61 ILE QD1 &rst iat= 930, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 943,944,945, &end # # 61 ILE HA 61 ILE QG2 &rst iat= 932, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 936,937,938, &end # # 61 ILE HA 61 ILE QD1 &rst iat= 932, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 943,944,945, &end # # 61 ILE HB 61 ILE QD1 &rst iat= 934, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 943,944,945, &end # # 61 ILE QG2 61 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 936,937,938, igr2= 940,941, &end # # 61 ILE QG2 61 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.752, r4= 5.472, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 936,937,938, igr2= 943,944,945, &end # # 61 ILE H 62 THR H &rst iat= 930,949, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 61 ILE H 62 THR QG2 &rst iat= 930, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 955,956,957, &end # # 61 ILE HA 62 THR H &rst iat= 932,949, r1= 0, r2= 0, r3= 2.3, r4= 2.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 61 ILE HA 62 THR QG2 &rst iat= 932, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 955,956,957, &end # # 61 ILE HB 62 THR H &rst iat= 934,949, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 61 ILE QG2 62 THR H &rst iat= -1,949, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 936,937,938, &end # # 61 ILE QD1 62 THR H &rst iat= -1,949, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 943,944,945, &end # # 61 ILE QD1 62 THR HA &rst iat= -1,951, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 943,944,945, &end # # 61 ILE QG2 65 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= 936,937,938, igr2= 998,999,1000, &end # # 61 ILE QG2 66 LEU H &rst iat= -1,1006, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 936,937,938, &end # # 61 ILE QG1 66 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 940,941, igr2= 1015,1016,1017,1019,1020,1021, &end # # 61 ILE QG2 66 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= 936,937,938, igr2= 1015,1016,1017,1019,1020,1021, &end # # 61 ILE QD1 66 LEU HG &rst iat= -1,1013, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 943,944,945, &end # # 61 ILE QD1 66 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 943,944,945, igr2= 1015,1016,1017,1019,1020,1021, &end # # 61 ILE QG1 81 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 940,941, igr2= 1272,1273,1274, &end # # 61 ILE QG2 81 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 936,937,938, igr2= 1276,1277, &end # # 61 ILE QG1 81 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 940,941, igr2= 1279,1280,1281, &end # # 61 ILE QD1 81 ILE HA &rst iat= -1,1268, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 943,944,945, &end # # 61 ILE QD1 81 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= 943,944,945, igr2= 1276,1277, &end # # 62 THR H 62 THR QG2 &rst iat= 949, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 955,956,957, &end # # 62 THR HA 62 THR QG2 &rst iat= 951, -1, r1= 0, r2= 0, r3= 4.08, r4= 4.68, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 955,956,957, &end # # 62 THR H 63 ALA H &rst iat= 949,963, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 THR H 63 ALA HA &rst iat= 949,965, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 THR HA 63 ALA H &rst iat= 951,963, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 THR HA 63 ALA HA &rst iat= 951,965, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 THR HA 63 ALA QB &rst iat= 951, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 967,968,969, &end # # 62 THR HB 63 ALA H &rst iat= 953,963, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 THR HB 63 ALA QB &rst iat= 953, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 967,968,969, &end # # 62 THR QG2 63 ALA H &rst iat= -1,963, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 955,956,957, &end # # 62 THR QG2 63 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.912, r4= 7.632, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 955,956,957, igr2= 967,968,969, &end # # 62 THR H 64 ILE H &rst iat= 949,973, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 THR H 64 ILE HB &rst iat= 949,977, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 THR HA 64 ILE H &rst iat= 951,973, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 THR HB 64 ILE H &rst iat= 953,973, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 THR HB 64 ILE HB &rst iat= 953,977, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 THR HB 64 ILE QG2 &rst iat= 953, -1, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 979,980,981, &end # # 62 THR HB 64 ILE QD1 &rst iat= 953, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 986,987,988, &end # # 62 THR QG2 64 ILE H &rst iat= -1,973, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 955,956,957, &end # # 62 THR QG2 64 ILE HB &rst iat= -1,977, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 955,956,957, &end # # 62 THR QG2 64 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.624, r4= 7.344, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 955,956,957, igr2= 986,987,988, &end # # 62 THR H 65 THR H &rst iat= 949,992, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 THR H 65 THR HB &rst iat= 949,996, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 THR H 65 THR QG2 &rst iat= 949, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 998,999,1000, &end # # 62 THR HA 65 THR H &rst iat= 951,992, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 THR HB 65 THR H &rst iat= 953,992, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 THR HB 65 THR QG2 &rst iat= 953, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 998,999,1000, &end # # 62 THR QG2 65 THR H &rst iat= -1,992, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 955,956,957, &end # # 62 THR H 66 LEU H &rst iat= 949,1006, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 THR H 66 LEU QD &rst iat= 949, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1015,1016,1017,1019,1020,1021, &end # # 62 THR HA 66 LEU H &rst iat= 951,1006, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 THR HB 66 LEU H &rst iat= 953,1006, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 62 THR QG2 66 LEU H &rst iat= -1,1006, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 955,956,957, &end # # 62 THR H 81 ILE QD1 &rst iat= 949, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1279,1280,1281, &end # # 62 THR HA 81 ILE QD1 &rst iat= 951, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1279,1280,1281, &end # # 62 THR HB 81 ILE QD1 &rst iat= 953, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1279,1280,1281, &end # # 62 THR QG2 81 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.768, r4= 7.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 955,956,957, igr2= 1279,1280,1281, &end # # 63 ALA H 63 ALA QB &rst iat= 963, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 967,968,969, &end # # 63 ALA H 64 ILE H &rst iat= 963,973, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ALA H 64 ILE HA &rst iat= 963,975, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ALA H 64 ILE QD1 &rst iat= 963, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 986,987,988, &end # # 63 ALA QB 64 ILE H &rst iat= -1,973, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 967,968,969, &end # # 63 ALA QB 64 ILE HA &rst iat= -1,975, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 967,968,969, &end # # 63 ALA QB 64 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 967,968,969, igr2= 983,984, &end # # 63 ALA QB 64 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.92, r4= 8.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 967,968,969, igr2= 986,987,988, &end # # 63 ALA QB 65 THR H &rst iat= -1,992, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 967,968,969, &end # # 63 ALA HA 66 LEU H &rst iat= 965,1006, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ALA HA 66 LEU QB &rst iat= 965, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1010,1011, &end # # 63 ALA HA 66 LEU QD &rst iat= 965, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1015,1016,1017,1019,1020,1021, &end # # 63 ALA QB 66 LEU H &rst iat= -1,1006, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 967,968,969, &end # # 63 ALA H 67 SER H &rst iat= 963,1025, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 63 ALA QB 67 SER H &rst iat= -1,1025, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 967,968,969, &end # # 63 ALA QB 74 VAL HA &rst iat= -1,1148, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 967,968,969, &end # # 63 ALA QB 74 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.508, r4= 6.318, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 967,968,969, igr2= 1152,1153,1154,1156,1157,1158, &end # # 63 ALA H 77 ALA QB &rst iat= 963, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1203,1204,1205, &end # # 63 ALA HA 77 ALA QB &rst iat= 965, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1203,1204,1205, &end # # 63 ALA QB 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= 967,968,969, igr2= 1203,1204,1205, &end # # 63 ALA QB 78 LYS H &rst iat= -1,1209, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 967,968,969, &end # # 63 ALA QB 78 LYS HA &rst iat= -1,1211, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 967,968,969, &end # # 63 ALA QB 78 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 967,968,969, igr2= 1213,1214, &end # # 63 ALA QB 78 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 967,968,969, igr2= 1222,1223, &end # # 63 ALA H 81 ILE QD1 &rst iat= 963, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1279,1280,1281, &end # # 63 ALA HA 81 ILE QD1 &rst iat= 965, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1279,1280,1281, &end # # 63 ALA QB 81 ILE H &rst iat= -1,1266, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 967,968,969, &end # # 63 ALA QB 81 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.184, r4= 5.904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 967,968,969, igr2= 1279,1280,1281, &end # # 64 ILE H 64 ILE HB &rst iat= 973,977, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ILE H 64 ILE QG1 &rst iat= 973, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 983,984, &end # # 64 ILE H 64 ILE QD1 &rst iat= 973, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 986,987,988, &end # # 64 ILE HA 64 ILE QG1 &rst iat= 975, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 983,984, &end # # 64 ILE HA 64 ILE QG2 &rst iat= 975, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 979,980,981, &end # # 64 ILE HA 64 ILE QD1 &rst iat= 975, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 986,987,988, &end # # 64 ILE HB 64 ILE QD1 &rst iat= 977, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 986,987,988, &end # # 64 ILE QG2 64 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.4352, r4= 5.1072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 979,980,981, igr2= 983,984, &end # # 64 ILE H 65 THR H &rst iat= 973,992, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ILE H 65 THR HB &rst iat= 973,996, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ILE HB 65 THR H &rst iat= 977,992, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ILE QG1 65 THR H &rst iat= -1,992, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 983,984, &end # # 64 ILE QG2 65 THR H &rst iat= -1,992, r1= 0, r2= 0, r3= 4.08, r4= 4.68, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 979,980,981, &end # # 64 ILE QG2 65 THR HA &rst iat= -1,994, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 979,980,981, &end # # 64 ILE H 66 LEU H &rst iat= 973,1006, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ILE QG2 66 LEU H &rst iat= -1,1006, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 979,980,981, &end # # 64 ILE H 67 SER H &rst iat= 973,1025, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ILE HA 67 SER H &rst iat= 975,1025, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ILE HA 67 SER QB &rst iat= 975, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1029,1030, &end # # 64 ILE QG2 67 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 979,980,981, igr2= 1029,1030, &end # # 64 ILE QG2 68 LYS H &rst iat= -1,1036, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 979,980,981, &end # # 64 ILE QG2 68 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 979,980,981, igr2= 1046,1047, &end # # 64 ILE QG2 68 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 979,980,981, igr2= 1049,1050, &end # # 64 ILE HA 74 VAL HA &rst iat= 975,1148, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 64 ILE HA 74 VAL QG &rst iat= 975, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.995, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1152,1153,1154,1156,1157,1158, &end # # 64 ILE HB 74 VAL QG &rst iat= 977, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1152,1153,1154,1156,1157,1158, &end # # 64 ILE QG1 74 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 983,984, igr2= 1152,1153,1154,1156,1157,1158, &end # # 64 ILE QG2 74 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.156, r4= 6.966, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 979,980,981, igr2= 1152,1153,1154,1156,1157,1158, &end # # 64 ILE QD1 74 VAL HB &rst iat= -1,1150, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 986,987,988, &end # # 64 ILE QD1 74 VAL QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.508, r4= 6.318, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 986,987,988, igr2= 1152,1153,1154,1156,1157,1158, &end # # 64 ILE H 81 ILE QD1 &rst iat= 973, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1279,1280,1281, &end # # 65 THR H 65 THR HB &rst iat= 992,996, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 THR H 65 THR QG2 &rst iat= 992, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 998,999,1000, &end # # 65 THR HA 65 THR QG2 &rst iat= 994, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 998,999,1000, &end # # 65 THR H 66 LEU H &rst iat= 992,1006, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 THR HA 66 LEU HA &rst iat= 994,1008, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 THR HB 66 LEU H &rst iat= 996,1006, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 THR QG2 66 LEU H &rst iat= -1,1006, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 998,999,1000, &end # # 65 THR H 67 SER H &rst iat= 992,1025, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 THR H 67 SER QB &rst iat= 992, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1029,1030, &end # # 65 THR HA 67 SER H &rst iat= 994,1025, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 THR HB 67 SER H &rst iat= 996,1025, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 THR QG2 67 SER H &rst iat= -1,1025, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 998,999,1000, &end # # 65 THR H 68 LYS H &rst iat= 992,1036, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 THR HA 68 LYS H &rst iat= 994,1036, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 65 THR HA 68 LYS QB &rst iat= 994, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1040,1041, &end # # 65 THR HA 68 LYS QG &rst iat= 994, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1043,1044, &end # # 65 THR HA 68 LYS QD &rst iat= 994, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1046,1047, &end # # 65 THR QG2 68 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= 998,999,1000, igr2= 1040,1041, &end # # 65 THR H 69 LYS QG &rst iat= 992, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1065,1066, &end # # 65 THR QG2 69 LYS H &rst iat= -1,1058, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 998,999,1000, &end # # 65 THR QG2 69 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= 998,999,1000, igr2= 1062,1063, &end # # 65 THR QG2 69 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 998,999,1000, igr2= 1065,1066, &end # # 65 THR QG2 69 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= 998,999,1000, igr2= 1068,1069, &end # # 65 THR QG2 69 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 998,999,1000, igr2= 1071,1072, &end # # 66 LEU H 66 LEU QB &rst iat= 1006, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1010,1011, &end # # 66 LEU H 66 LEU HG &rst iat= 1006,1013, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 LEU H 66 LEU QD &rst iat= 1006, -1, r1= 0, r2= 0, r3= 5.805, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1015,1016,1017,1019,1020,1021, &end # # 66 LEU HA 66 LEU HG &rst iat= 1008,1013, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 LEU HA 66 LEU QD &rst iat= 1008, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1015,1016,1017,1019,1020,1021, &end # # 66 LEU QB 66 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1010,1011, igr2= 1015,1016,1017,1019,1020,1021, &end # # 66 LEU H 67 SER H &rst iat= 1006,1025, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 LEU H 67 SER HA &rst iat= 1006,1027, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 LEU H 67 SER QB &rst iat= 1006, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1029,1030, &end # # 66 LEU QB 67 SER H &rst iat= -1,1025, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1010,1011, &end # # 66 LEU QB 67 SER HA &rst iat= -1,1027, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1010,1011, &end # # 66 LEU QB 67 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1010,1011, igr2= 1029,1030, &end # # 66 LEU QD 67 SER H &rst iat= -1,1025, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016,1017,1019,1020,1021, &end # # 66 LEU QD 67 SER HA &rst iat= -1,1027, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016,1017,1019,1020,1021, &end # # 66 LEU H 68 LYS H &rst iat= 1006,1036, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 LEU HA 68 LYS H &rst iat= 1008,1036, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 LEU QB 68 LYS H &rst iat= -1,1036, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1010,1011, &end # # 66 LEU H 69 LYS H &rst iat= 1006,1058, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 LEU HA 69 LYS H &rst iat= 1008,1058, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 LEU HA 69 LYS QB &rst iat= 1008, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1062,1063, &end # # 66 LEU QB 69 LYS H &rst iat= -1,1058, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1010,1011, &end # # 66 LEU QD 69 LYS H &rst iat= -1,1058, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016,1017,1019,1020,1021, &end # # 66 LEU QD 69 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016,1017,1019,1020,1021, igr2= 1062,1063, &end # # 66 LEU QD 69 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016,1017,1019,1020,1021, igr2= 1065,1066, &end # # 66 LEU QD 69 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016,1017,1019,1020,1021, igr2= 1068,1069, &end # # 66 LEU QD 69 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016,1017,1019,1020,1021, igr2= 1071,1072, &end # # 66 LEU HA 70 LEU H &rst iat= 1008,1080, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 66 LEU QD 70 LEU H &rst iat= -1,1080, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016,1017,1019,1020,1021, &end # # 66 LEU QD 70 LEU HG &rst iat= -1,1087, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016,1017,1019,1020,1021, &end # # 66 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= 1015,1016,1017,1019,1020,1021, igr2= 1089,1090,1091,1093,1094,1095, &end # # 66 LEU QD 72 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.832, r4= 6.642, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016,1017,1019,1020,1021, igr2= 1126,1127,1128, &end # # 66 LEU QB 77 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1010,1011, igr2= 1203,1204,1205, &end # # 66 LEU QD 77 ALA HA &rst iat= -1,1201, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016,1017,1019,1020,1021, &end # # 66 LEU QD 77 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016,1017,1019,1020,1021, igr2= 1203,1204,1205, &end # # 66 LEU QB 80 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1010,1011, igr2= 1253,1262, &end # # 66 LEU QD 80 TYR H &rst iat= -1,1245, r1= 0, r2= 0, r3= 7.155, r4= 7.83, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016,1017,1019,1020,1021, &end # # 66 LEU QD 80 TYR QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016,1017,1019,1020,1021, igr2= 1249,1250, &end # # 66 LEU QD 80 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016,1017,1019,1020,1021, igr2= 1253,1262, &end # # 66 LEU H 81 ILE QD1 &rst iat= 1006, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1279,1280,1281, &end # # 66 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= 1010,1011, igr2= 1279,1280,1281, &end # # 66 LEU QD 81 ILE H &rst iat= -1,1266, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016,1017,1019,1020,1021, &end # # 66 LEU QD 81 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.346, r4= 6.156, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1015,1016,1017,1019,1020,1021, igr2= 1279,1280,1281, &end # # 67 SER H 67 SER QB &rst iat= 1025, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1029,1030, &end # # 67 SER H 68 LYS H &rst iat= 1025,1036, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER H 68 LYS HA &rst iat= 1025,1038, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER HA 68 LYS H &rst iat= 1027,1036, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER HA 68 LYS HA &rst iat= 1027,1038, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER QB 68 LYS H &rst iat= -1,1036, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1029,1030, &end # # 67 SER H 69 LYS H &rst iat= 1025,1058, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER HA 70 LEU QD &rst iat= 1027, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1089,1090,1091,1093,1094,1095, &end # # 67 SER H 72 ILE H &rst iat= 1025,1113, 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= 1025, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1126,1127,1128, &end # # 67 SER HA 72 ILE H &rst iat= 1027,1113, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER HA 72 ILE HB &rst iat= 1027,1117, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER HA 72 ILE QG1 &rst iat= 1027, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1123,1124, &end # # 67 SER HA 72 ILE QG2 &rst iat= 1027, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1119,1120,1121, &end # # 67 SER HA 72 ILE QD1 &rst iat= 1027, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1126,1127,1128, &end # # 67 SER QB 72 ILE H &rst iat= -1,1113, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1029,1030, &end # # 67 SER HA 73 THR H &rst iat= 1027,1132, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER H 74 VAL HA &rst iat= 1025,1148, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER H 74 VAL QG &rst iat= 1025, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1152,1153,1154,1156,1157,1158, &end # # 67 SER QB 74 VAL H &rst iat= -1,1146, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1029,1030, &end # # 67 SER QB 74 VAL HA &rst iat= -1,1148, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1029,1030, &end # # 67 SER QB 74 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= 1029,1030, igr2= 1152,1153,1154,1156,1157,1158, &end # # 67 SER H 77 ALA QB &rst iat= 1025, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1203,1204,1205, &end # # 67 SER HA 77 ALA H &rst iat= 1027,1199, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 67 SER HA 77 ALA QB &rst iat= 1027, -1, r1= 0, r2= 0, r3= 3.6, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1203,1204,1205, &end # # 67 SER QB 77 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1029,1030, igr2= 1203,1204,1205, &end # # 67 SER H 81 ILE QD1 &rst iat= 1025, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1279,1280,1281, &end # # 68 LYS H 68 LYS QB &rst iat= 1036, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1040,1041, &end # # 68 LYS H 68 LYS QG &rst iat= 1036, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1043,1044, &end # # 68 LYS H 68 LYS QD &rst iat= 1036, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1046,1047, &end # # 68 LYS H 68 LYS QE &rst iat= 1036, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1049,1050, &end # # 68 LYS HA 68 LYS QG &rst iat= 1038, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1043,1044, &end # # 68 LYS HA 68 LYS QD &rst iat= 1038, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1046,1047, &end # # 68 LYS QB 68 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1040,1041, igr2= 1046,1047, &end # # 68 LYS QG 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= 1043,1044, igr2= 1049,1050, &end # # 68 LYS QD 68 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.38688, r4= 4.01408, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1046,1047, igr2= 1049,1050, &end # # 68 LYS H 69 LYS H &rst iat= 1036,1058, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LYS H 69 LYS QB &rst iat= 1036, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1062,1063, &end # # 68 LYS QB 69 LYS H &rst iat= -1,1058, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1040,1041, &end # # 68 LYS H 70 LEU H &rst iat= 1036,1080, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LYS HA 70 LEU H &rst iat= 1038,1080, 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= -1,1080, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1040,1041, &end # # 68 LYS H 71 ASN H &rst iat= 1036,1099, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LYS H 71 ASN HA &rst iat= 1036,1101, 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= 1038,1099, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LYS QB 71 ASN H &rst iat= -1,1099, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1040,1041, &end # # 68 LYS H 72 ILE H &rst iat= 1036,1113, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 68 LYS H 72 ILE QG1 &rst iat= 1036, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1123,1124, &end # # 68 LYS H 74 VAL QG &rst iat= 1036, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1152,1153,1154,1156,1157,1158, &end # # 68 LYS H 77 ALA QB &rst iat= 1036, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1203,1204,1205, &end # # 69 LYS H 69 LYS QB &rst iat= 1058, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1062,1063, &end # # 69 LYS H 69 LYS QG &rst iat= 1058, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1065,1066, &end # # 69 LYS H 69 LYS QD &rst iat= 1058, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1068,1069, &end # # 69 LYS H 69 LYS QE &rst iat= 1058, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1071,1072, &end # # 69 LYS HA 69 LYS QG &rst iat= 1060, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1065,1066, &end # # 69 LYS HA 69 LYS QD &rst iat= 1060, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1068,1069, &end # # 69 LYS HA 69 LYS QE &rst iat= 1060, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1071,1072, &end # # 69 LYS QG 69 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1065,1066, igr2= 1071,1072, &end # # 69 LYS H 70 LEU H &rst iat= 1058,1080, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 LYS H 70 LEU HA &rst iat= 1058,1082, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 LYS HA 70 LEU HG &rst iat= 1060,1087, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 LYS QB 70 LEU H &rst iat= -1,1080, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, &end # # 69 LYS QB 70 LEU HG &rst iat= -1,1087, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, &end # # 69 LYS H 71 ASN H &rst iat= 1058,1099, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 LYS HA 71 ASN H &rst iat= 1060,1099, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 69 LYS QB 71 ASN H &rst iat= -1,1099, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1062,1063, &end # # 69 LYS H 72 ILE QD1 &rst iat= 1058, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1126,1127,1128, &end # # 70 LEU H 70 LEU QB &rst iat= 1080, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1084,1085, &end # # 70 LEU H 70 LEU QD &rst iat= 1080, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1089,1090,1091,1093,1094,1095, &end # # 70 LEU HA 70 LEU QD &rst iat= 1082, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1089,1090,1091,1093,1094,1095, &end # # 70 LEU QB 70 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5944, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1084,1085, igr2= 1089,1090,1091,1093,1094,1095, &end # # 70 LEU H 71 ASN H &rst iat= 1080,1099, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 70 LEU HA 71 ASN QB &rst iat= 1082, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1103,1104, &end # # 70 LEU HA 71 ASN QD &rst iat= 1082, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1108,1109, &end # # 70 LEU QD 71 ASN H &rst iat= -1,1099, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1089,1090,1091,1093,1094,1095, &end # # 70 LEU H 72 ILE H &rst iat= 1080,1113, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 70 LEU H 72 ILE QD1 &rst iat= 1080, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1126,1127,1128, &end # # 70 LEU HA 72 ILE H &rst iat= 1082,1113, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 70 LEU HA 72 ILE QD1 &rst iat= 1082, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1126,1127,1128, &end # # 70 LEU QB 72 ILE H &rst iat= -1,1113, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1084,1085, &end # # 70 LEU QD 72 ILE H &rst iat= -1,1113, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1089,1090,1091,1093,1094,1095, &end # # 70 LEU QD 77 ALA HA &rst iat= -1,1201, r1= 0, r2= 0, r3= 6.21, r4= 6.885, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1089,1090,1091,1093,1094,1095, &end # # 70 LEU QD 80 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1089,1090,1091,1093,1094,1095, igr2= 1253,1262, &end # # 70 LEU QD 80 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1089,1090,1091,1093,1094,1095, igr2= 1255,1260, &end # # 71 ASN H 71 ASN HA &rst iat= 1099,1101, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 71 ASN H 71 ASN QB &rst iat= 1099, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1103,1104, &end # # 71 ASN H 71 ASN QD &rst iat= 1099, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1108,1109, &end # # 71 ASN HA 71 ASN QD &rst iat= 1101, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1108,1109, &end # # 71 ASN QB 71 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= 1103,1104, igr2= 1108,1109, &end # # 71 ASN H 72 ILE H &rst iat= 1099,1113, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 71 ASN H 72 ILE QG1 &rst iat= 1099, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1123,1124, &end # # 71 ASN H 72 ILE QG2 &rst iat= 1099, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1119,1120,1121, &end # # 71 ASN H 72 ILE QD1 &rst iat= 1099, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1126,1127,1128, &end # # 71 ASN HA 72 ILE H &rst iat= 1101,1113, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 71 ASN HA 72 ILE QG2 &rst iat= 1101, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1119,1120,1121, &end # # 71 ASN QB 72 ILE H &rst iat= -1,1113, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1103,1104, &end # # 71 ASN QB 72 ILE QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1103,1104, igr2= 1119,1120,1121, &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= 1108,1109, igr2= 1119,1120,1121, &end # # 72 ILE H 72 ILE QG1 &rst iat= 1113, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1123,1124, &end # # 72 ILE H 72 ILE QG2 &rst iat= 1113, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1119,1120,1121, &end # # 72 ILE H 72 ILE QD1 &rst iat= 1113, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1126,1127,1128, &end # # 72 ILE HA 72 ILE QG2 &rst iat= 1115, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1119,1120,1121, &end # # 72 ILE HA 72 ILE QD1 &rst iat= 1115, -1, r1= 0, r2= 0, r3= 5.52, r4= 6.12, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1126,1127,1128, &end # # 72 ILE HB 72 ILE QD1 &rst iat= 1117, -1, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1126,1127,1128, &end # # 72 ILE QG2 72 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1119,1120,1121, igr2= 1123,1124, &end # # 72 ILE QG2 72 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.608, r4= 5.328, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1119,1120,1121, igr2= 1126,1127,1128, &end # # 72 ILE HA 73 THR H &rst iat= 1115,1132, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 72 ILE HA 73 THR HA &rst iat= 1115,1134, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 72 ILE HA 73 THR QG2 &rst iat= 1115, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1138,1139,1140, &end # # 72 ILE HB 73 THR H &rst iat= 1117,1132, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 72 ILE HB 73 THR HA &rst iat= 1117,1134, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 72 ILE HB 73 THR QG2 &rst iat= 1117, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1138,1139,1140, &end # # 72 ILE QG1 73 THR H &rst iat= -1,1132, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1123,1124, &end # # 72 ILE QG2 73 THR H &rst iat= -1,1132, r1= 0, r2= 0, r3= 4.44, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1119,1120,1121, &end # # 72 ILE QG2 73 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.344, r4= 8.064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1119,1120,1121, igr2= 1138,1139,1140, &end # # 72 ILE QD1 73 THR H &rst iat= -1,1132, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1126,1127,1128, &end # # 72 ILE HA 76 LYS QD &rst iat= 1115, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1187,1188, &end # # 72 ILE HB 76 LYS QG &rst iat= 1117, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1184,1185, &end # # 72 ILE HB 76 LYS QD &rst iat= 1117, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1187,1188, &end # # 72 ILE QG2 76 LYS H &rst iat= -1,1177, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1119,1120,1121, &end # # 72 ILE QG2 76 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1119,1120,1121, igr2= 1181,1182, &end # # 72 ILE QG2 76 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1119,1120,1121, igr2= 1184,1185, &end # # 72 ILE QD1 76 LYS H &rst iat= -1,1177, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1126,1127,1128, &end # # 72 ILE QD1 76 LYS HA &rst iat= -1,1179, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1126,1127,1128, &end # # 72 ILE QD1 76 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1126,1127,1128, igr2= 1181,1182, &end # # 72 ILE QD1 76 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1126,1127,1128, igr2= 1184,1185, &end # # 72 ILE QD1 76 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1126,1127,1128, igr2= 1187,1188, &end # # 72 ILE QD1 76 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1126,1127,1128, igr2= 1190,1191, &end # # 72 ILE H 77 ALA QB &rst iat= 1113, -1, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1203,1204,1205, &end # # 72 ILE HB 77 ALA QB &rst iat= 1117, -1, r1= 0, r2= 0, r3= 6, r4= 6.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1203,1204,1205, &end # # 72 ILE QG1 77 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.4352, r4= 5.1072, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1123,1124, igr2= 1203,1204,1205, &end # # 72 ILE QD1 77 ALA H &rst iat= -1,1199, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1126,1127,1128, &end # # 72 ILE QD1 77 ALA HA &rst iat= -1,1201, r1= 0, r2= 0, r3= 4.56, r4= 5.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1126,1127,1128, &end # # 72 ILE QD1 77 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.184, r4= 5.904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1126,1127,1128, igr2= 1203,1204,1205, &end # # 72 ILE QD1 78 LYS H &rst iat= -1,1209, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1126,1127,1128, &end # # 72 ILE QD1 80 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1126,1127,1128, igr2= 1253,1262, &end # # 72 ILE QD1 80 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1126,1127,1128, igr2= 1255,1260, &end # # 73 THR H 73 THR QG2 &rst iat= 1132, -1, r1= 0, r2= 0, r3= 3.6, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1138,1139,1140, &end # # 73 THR HA 73 THR QG2 &rst iat= 1134, -1, r1= 0, r2= 0, r3= 3.72, r4= 4.32, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1138,1139,1140, &end # # 73 THR H 74 VAL H &rst iat= 1132,1146, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR HA 74 VAL H &rst iat= 1134,1146, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR HA 74 VAL HA &rst iat= 1134,1148, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR HA 74 VAL QG &rst iat= 1134, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1152,1153,1154,1156,1157,1158, &end # # 73 THR HB 74 VAL H &rst iat= 1136,1146, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR HB 74 VAL HB &rst iat= 1136,1150, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR HB 74 VAL QG &rst iat= 1136, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1152,1153,1154,1156,1157,1158, &end # # 73 THR QG2 74 VAL H &rst iat= -1,1146, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1138,1139,1140, &end # # 73 THR HA 75 GLU H &rst iat= 1134,1162, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR HB 75 GLU H &rst iat= 1136,1162, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR HB 75 GLU QB &rst iat= 1136, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1166,1167, &end # # 73 THR QG2 75 GLU H &rst iat= -1,1162, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1138,1139,1140, &end # # 73 THR H 76 LYS H &rst iat= 1132,1177, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR H 76 LYS QB &rst iat= 1132, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1181,1182, &end # # 73 THR H 76 LYS QG &rst iat= 1132, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1184,1185, &end # # 73 THR H 76 LYS QD &rst iat= 1132, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1187,1188, &end # # 73 THR HA 76 LYS H &rst iat= 1134,1177, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR HB 76 LYS H &rst iat= 1136,1177, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 73 THR QG2 76 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1138,1139,1140, igr2= 1181,1182, &end # # 73 THR QG2 76 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1138,1139,1140, igr2= 1184,1185, &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= 1138,1139,1140, igr2= 1187,1188, &end # # 73 THR QG2 76 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= 1138,1139,1140, igr2= 1190,1191, &end # # 73 THR H 77 ALA H &rst iat= 1132,1199, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 VAL H 74 VAL HB &rst iat= 1146,1150, r1= 0, r2= 0, r3= 3.3, r4= 3.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 VAL H 74 VAL QG &rst iat= 1146, -1, r1= 0, r2= 0, r3= 4.05, r4= 4.725, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1152,1153,1154,1156,1157,1158, &end # # 74 VAL HA 74 VAL QG &rst iat= 1148, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1152,1153,1154,1156,1157,1158, &end # # 74 VAL H 75 GLU H &rst iat= 1146,1162, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 VAL H 75 GLU QB &rst iat= 1146, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1166,1167, &end # # 74 VAL HB 75 GLU HA &rst iat= 1150,1164, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 VAL QG 75 GLU H &rst iat= -1,1162, r1= 0, r2= 0, r3= 5.4, r4= 6.075, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1152,1153,1154,1156,1157,1158, &end # # 74 VAL QG 75 GLU HA &rst iat= -1,1164, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1152,1153,1154,1156,1157,1158, &end # # 74 VAL QG 75 GLU QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1152,1153,1154,1156,1157,1158, igr2= 1169,1170, &end # # 74 VAL H 76 LYS H &rst iat= 1146,1177, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 VAL HA 76 LYS H &rst iat= 1148,1177, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 VAL QG 76 LYS H &rst iat= -1,1177, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1152,1153,1154,1156,1157,1158, &end # # 74 VAL H 77 ALA QB &rst iat= 1146, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1203,1204,1205, &end # # 74 VAL HA 77 ALA H &rst iat= 1148,1199, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 VAL HA 77 ALA QB &rst iat= 1148, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1203,1204,1205, &end # # 74 VAL HB 77 ALA QB &rst iat= 1150, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1203,1204,1205, &end # # 74 VAL QG 77 ALA H &rst iat= -1,1199, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1152,1153,1154,1156,1157,1158, &end # # 74 VAL QG 77 ALA QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.29, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1152,1153,1154,1156,1157,1158, igr2= 1203,1204,1205, &end # # 74 VAL HA 78 LYS H &rst iat= 1148,1209, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 74 VAL QG 78 LYS H &rst iat= -1,1209, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1152,1153,1154,1156,1157,1158, &end # # 74 VAL QG 78 LYS QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1152,1153,1154,1156,1157,1158, igr2= 1213,1214, &end # # 74 VAL QG 78 LYS QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1152,1153,1154,1156,1157,1158, igr2= 1216,1217, &end # # 74 VAL QG 78 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.292, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1152,1153,1154,1156,1157,1158, igr2= 1219,1220, &end # # 74 VAL QG 78 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1152,1153,1154,1156,1157,1158, igr2= 1222,1223, &end # # 75 GLU H 75 GLU QB &rst iat= 1162, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1166,1167, &end # # 75 GLU HA 75 GLU QG &rst iat= 1164, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1169,1170, &end # # 75 GLU H 76 LYS H &rst iat= 1162,1177, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 GLU H 76 LYS HA &rst iat= 1162,1179, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 GLU QB 76 LYS H &rst iat= -1,1177, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1166,1167, &end # # 75 GLU QG 76 LYS H &rst iat= -1,1177, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1169,1170, &end # # 75 GLU H 78 LYS H &rst iat= 1162,1209, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 GLU HA 78 LYS H &rst iat= 1164,1209, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 75 GLU HA 78 LYS QG &rst iat= 1164, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1216,1217, &end # # 75 GLU HA 78 LYS QD &rst iat= 1164, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1219,1220, &end # # 75 GLU HA 78 LYS QE &rst iat= 1164, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1222,1223, &end # # 75 GLU HA 79 ASN H &rst iat= 1164,1231, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 LYS H 76 LYS QB &rst iat= 1177, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1181,1182, &end # # 76 LYS H 76 LYS QG &rst iat= 1177, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1184,1185, &end # # 76 LYS HA 76 LYS QG &rst iat= 1179, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1184,1185, &end # # 76 LYS HA 76 LYS QD &rst iat= 1179, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1187,1188, &end # # 76 LYS QB 76 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= 1181,1182, igr2= 1190,1191, &end # # 76 LYS QG 76 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1184,1185, igr2= 1187,1188, &end # # 76 LYS QG 76 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= 1184,1185, igr2= 1190,1191, &end # # 76 LYS QD 76 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1187,1188, igr2= 1190,1191, &end # # 76 LYS H 77 ALA H &rst iat= 1177,1199, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 LYS H 77 ALA QB &rst iat= 1177, -1, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1203,1204,1205, &end # # 76 LYS QG 77 ALA H &rst iat= -1,1199, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1184,1185, &end # # 76 LYS QD 77 ALA H &rst iat= -1,1199, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1187,1188, &end # # 76 LYS QD 77 ALA HA &rst iat= -1,1201, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1187,1188, &end # # 76 LYS H 79 ASN H &rst iat= 1177,1231, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 LYS H 79 ASN QD &rst iat= 1177, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1240,1241, &end # # 76 LYS HA 79 ASN H &rst iat= 1179,1231, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 76 LYS HA 79 ASN QB &rst iat= 1179, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1235,1236, &end # # 76 LYS HA 79 ASN QD &rst iat= 1179, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1240,1241, &end # # 76 LYS QD 79 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= 1187,1188, igr2= 1240,1241, &end # # 76 LYS QB 80 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1181,1182, igr2= 1255,1260, &end # # 76 LYS QG 80 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1184,1185, igr2= 1255,1260, &end # # 76 LYS QD 80 TYR QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1187,1188, igr2= 1255,1260, &end # # 77 ALA H 77 ALA QB &rst iat= 1199, -1, r1= 0, r2= 0, r3= 3.6, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1203,1204,1205, &end # # 77 ALA H 78 LYS H &rst iat= 1199,1209, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 ALA QB 78 LYS H &rst iat= -1,1209, r1= 0, r2= 0, r3= 4.08, r4= 4.68, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1203,1204,1205, &end # # 77 ALA QB 78 LYS HA &rst iat= -1,1211, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1203,1204,1205, &end # # 77 ALA H 79 ASN H &rst iat= 1199,1231, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 ALA H 79 ASN QB &rst iat= 1199, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1235,1236, &end # # 77 ALA QB 79 ASN H &rst iat= -1,1231, r1= 0, r2= 0, r3= 6.12, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1203,1204,1205, &end # # 77 ALA H 80 TYR H &rst iat= 1199,1245, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 ALA H 80 TYR QD &rst iat= 1199, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1253,1262, &end # # 77 ALA HA 80 TYR H &rst iat= 1201,1245, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 ALA HA 80 TYR QB &rst iat= 1201, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1249,1250, &end # # 77 ALA HA 80 TYR QD &rst iat= 1201, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1253,1262, &end # # 77 ALA HA 80 TYR QE &rst iat= 1201, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1255,1260, &end # # 77 ALA QB 80 TYR H &rst iat= -1,1245, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1203,1204,1205, &end # # 77 ALA QB 80 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1203,1204,1205, igr2= 1253,1262, &end # # 77 ALA HA 81 ILE H &rst iat= 1201,1266, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 77 ALA QB 81 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= 1203,1204,1205, igr2= 1279,1280,1281, &end # # 78 LYS H 78 LYS QB &rst iat= 1209, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1213,1214, &end # # 78 LYS H 78 LYS QG &rst iat= 1209, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1216,1217, &end # # 78 LYS HA 78 LYS QG &rst iat= 1211, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1216,1217, &end # # 78 LYS HA 78 LYS QE &rst iat= 1211, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1222,1223, &end # # 78 LYS QB 78 LYS QE &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1213,1214, igr2= 1222,1223, &end # # 78 LYS QG 78 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= 1216,1217, igr2= 1222,1223, &end # # 78 LYS H 79 ASN H &rst iat= 1209,1231, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 78 LYS H 79 ASN HA &rst iat= 1209,1233, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 78 LYS H 79 ASN QB &rst iat= 1209, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1235,1236, &end # # 78 LYS HA 79 ASN HA &rst iat= 1211,1233, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 78 LYS QB 79 ASN H &rst iat= -1,1231, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1213,1214, &end # # 78 LYS QG 79 ASN H &rst iat= -1,1231, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1216,1217, &end # # 78 LYS H 80 TYR H &rst iat= 1209,1245, r1= 0, r2= 0, r3= 4.9, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 78 LYS H 80 TYR QB &rst iat= 1209, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1249,1250, &end # # 78 LYS HA 80 TYR H &rst iat= 1211,1245, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 78 LYS HA 80 TYR QD &rst iat= 1211, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1253,1262, &end # # 78 LYS H 81 ILE H &rst iat= 1209,1266, 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= 1209, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1279,1280,1281, &end # # 78 LYS HA 81 ILE H &rst iat= 1211,1266, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 78 LYS HA 81 ILE QG2 &rst iat= 1211, -1, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1272,1273,1274, &end # # 78 LYS HA 81 ILE QD1 &rst iat= 1211, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1279,1280,1281, &end # # 78 LYS 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= 1213,1214, igr2= 1279,1280,1281, &end # # 78 LYS HA 82 LYS H &rst iat= 1211,1285, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 ASN H 79 ASN QB &rst iat= 1231, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1235,1236, &end # # 79 ASN H 79 ASN QD &rst iat= 1231, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1240,1241, &end # # 79 ASN HA 79 ASN QD &rst iat= 1233, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1240,1241, &end # # 79 ASN QB 79 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= 1235,1236, igr2= 1240,1241, &end # # 79 ASN H 80 TYR H &rst iat= 1231,1245, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 ASN H 80 TYR HA &rst iat= 1231,1247, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 ASN H 80 TYR QB &rst iat= 1231, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1249,1250, &end # # 79 ASN H 80 TYR QD &rst iat= 1231, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1253,1262, &end # # 79 ASN QB 80 TYR H &rst iat= -1,1245, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1235,1236, &end # # 79 ASN QD 80 TYR H &rst iat= -1,1245, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1240,1241, &end # # 79 ASN QD 80 TYR HA &rst iat= -1,1247, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1240,1241, &end # # 79 ASN QD 80 TYR QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1240,1241, igr2= 1249,1250, &end # # 79 ASN QD 80 TYR QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1240,1241, igr2= 1253,1262, &end # # 79 ASN H 81 ILE H &rst iat= 1231,1266, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 ASN H 81 ILE QG1 &rst iat= 1231, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1276,1277, &end # # 79 ASN H 81 ILE QD1 &rst iat= 1231, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1279,1280,1281, &end # # 79 ASN HA 81 ILE H &rst iat= 1233,1266, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 ASN H 82 LYS H &rst iat= 1231,1285, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 ASN HA 82 LYS H &rst iat= 1233,1285, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 ASN HA 82 LYS QB &rst iat= 1233, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1289,1290, &end # # 79 ASN HA 82 LYS QG &rst iat= 1233, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1292,1293, &end # # 79 ASN HA 83 ASN H &rst iat= 1233,1307, r1= 0, r2= 0, r3= 5.4, r4= 5.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 79 ASN HA 83 ASN QD &rst iat= 1233, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1316,1317, &end # # 79 ASN QD 83 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1240,1241, igr2= 1316,1317, &end # # 80 TYR H 80 TYR QB &rst iat= 1245, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1249,1250, &end # # 80 TYR H 80 TYR QD &rst iat= 1245, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1253,1262, &end # # 80 TYR H 80 TYR QE &rst iat= 1245, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1255,1260, &end # # 80 TYR HA 80 TYR QD &rst iat= 1247, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1253,1262, &end # # 80 TYR H 81 ILE H &rst iat= 1245,1266, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 TYR H 81 ILE HA &rst iat= 1245,1268, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 TYR H 81 ILE QG1 &rst iat= 1245, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1276,1277, &end # # 80 TYR H 81 ILE QD1 &rst iat= 1245, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1279,1280,1281, &end # # 80 TYR HA 81 ILE QG1 &rst iat= 1247, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1276,1277, &end # # 80 TYR QB 81 ILE H &rst iat= -1,1266, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1249,1250, &end # # 80 TYR QD 81 ILE H &rst iat= -1,1266, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1253,1262, &end # # 80 TYR QD 81 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1253,1262, igr2= 1276,1277, &end # # 80 TYR QD 81 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= 1253,1262, igr2= 1279,1280,1281, &end # # 80 TYR H 82 LYS H &rst iat= 1245,1285, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 TYR H 82 LYS QB &rst iat= 1245, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1289,1290, &end # # 80 TYR HA 82 LYS H &rst iat= 1247,1285, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 TYR QB 82 LYS H &rst iat= -1,1285, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1249,1250, &end # # 80 TYR H 83 ASN H &rst iat= 1245,1307, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 80 TYR HA 83 ASN QB &rst iat= 1247, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1311,1312, &end # # 80 TYR HA 83 ASN QD &rst iat= 1247, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1316,1317, &end # # 80 TYR QB 83 ASN H &rst iat= -1,1307, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1249,1250, &end # # 80 TYR 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= 1249,1250, igr2= 1316,1317, &end # # 80 TYR QD 83 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= 1253,1262, igr2= 1316,1317, &end # # 80 TYR H 84 SER H &rst iat= 1245,1321, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 ILE H 81 ILE HB &rst iat= 1266,1270, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 ILE H 81 ILE QG1 &rst iat= 1266, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1276,1277, &end # # 81 ILE H 81 ILE QG2 &rst iat= 1266, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1272,1273,1274, &end # # 81 ILE H 81 ILE QD1 &rst iat= 1266, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1279,1280,1281, &end # # 81 ILE HA 81 ILE QG1 &rst iat= 1268, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1276,1277, &end # # 81 ILE HA 81 ILE QG2 &rst iat= 1268, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1272,1273,1274, &end # # 81 ILE HA 81 ILE QD1 &rst iat= 1268, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1279,1280,1281, &end # # 81 ILE HB 81 ILE QD1 &rst iat= 1270, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1279,1280,1281, &end # # 81 ILE QG2 81 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1272,1273,1274, igr2= 1276,1277, &end # # 81 ILE QG2 81 ILE QD1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.464, r4= 5.184, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1272,1273,1274, igr2= 1279,1280,1281, &end # # 81 ILE QG1 82 LYS H &rst iat= -1,1285, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1276,1277, &end # # 81 ILE QG2 82 LYS H &rst iat= -1,1285, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1272,1273,1274, &end # # 81 ILE QG2 82 LYS HA &rst iat= -1,1287, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1272,1273,1274, &end # # 81 ILE QG2 82 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= 1272,1273,1274, igr2= 1289,1290, &end # # 81 ILE QD1 82 LYS H &rst iat= -1,1285, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1279,1280,1281, &end # # 81 ILE HA 83 ASN H &rst iat= 1268,1307, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 ILE QG2 83 ASN H &rst iat= -1,1307, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1272,1273,1274, &end # # 81 ILE HA 84 SER H &rst iat= 1268,1321, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 81 ILE HA 84 SER QB &rst iat= 1268, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1325,1326, &end # # 81 ILE QG2 85 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1272,1273,1274, igr2= 1336,1337, &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= 1272,1273,1274, igr2= 1341,1342, &end # # 82 LYS H 82 LYS QB &rst iat= 1285, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1289,1290, &end # # 82 LYS H 82 LYS QG &rst iat= 1285, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1292,1293, &end # # 82 LYS HA 82 LYS QG &rst iat= 1287, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1292,1293, &end # # 82 LYS HA 82 LYS QD &rst iat= 1287, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1295,1296, &end # # 82 LYS QB 82 LYS QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1290, igr2= 1295,1296, &end # # 82 LYS H 83 ASN H &rst iat= 1285,1307, r1= 0, r2= 0, r3= 3.9, r4= 4.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 LYS H 83 ASN HA &rst iat= 1285,1309, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 LYS H 83 ASN QB &rst iat= 1285, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1311,1312, &end # # 82 LYS QB 83 ASN H &rst iat= -1,1307, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1290, &end # # 82 LYS QB 83 ASN HA &rst iat= -1,1309, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1290, &end # # 82 LYS QB 83 ASN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1290, igr2= 1311,1312, &end # # 82 LYS QB 83 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1289,1290, igr2= 1316,1317, &end # # 82 LYS QG 83 ASN H &rst iat= -1,1307, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1292,1293, &end # # 82 LYS QG 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= 1316,1317, &end # # 82 LYS H 84 SER H &rst iat= 1285,1321, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 82 LYS H 85 ASN QB &rst iat= 1285, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1336,1337, &end # # 82 LYS HA 85 ASN QB &rst iat= 1287, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1336,1337, &end # # 82 LYS HA 85 ASN QD &rst iat= 1287, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1341,1342, &end # # 83 ASN H 83 ASN QB &rst iat= 1307, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1311,1312, &end # # 83 ASN H 83 ASN QD &rst iat= 1307, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1316,1317, &end # # 83 ASN HA 83 ASN QD &rst iat= 1309, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1316,1317, &end # # 83 ASN QB 83 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= 1311,1312, igr2= 1316,1317, &end # # 83 ASN H 84 SER HA &rst iat= 1307,1323, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 83 ASN QB 84 SER H &rst iat= -1,1321, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1311,1312, &end # # 83 ASN QB 84 SER HA &rst iat= -1,1323, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1311,1312, &end # # 83 ASN QD 84 SER H &rst iat= -1,1321, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1316,1317, &end # # 83 ASN H 85 ASN QD &rst iat= 1307, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1341,1342, &end # # 84 SER H 84 SER QB &rst iat= 1321, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1325,1326, &end # # 84 SER H 85 ASN H &rst iat= 1321,1332, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 84 SER HA 85 ASN QD &rst iat= 1323, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1341,1342, &end # # 84 SER QB 85 ASN H &rst iat= -1,1332, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1325,1326, &end # # 84 SER HA 87 LEU H &rst iat= 1323,1370, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 84 SER HA 87 LEU QB &rst iat= 1323, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1374,1375, &end # # 84 SER HA 87 LEU QD &rst iat= 1323, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1379,1380,1381,1383,1384,1385, &end # # 85 ASN HA 85 ASN QB &rst iat= 1334, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1336,1337, &end # # 85 ASN HA 85 ASN QD &rst iat= 1334, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1341,1342, &end # # 85 ASN QB 85 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= 1336,1337, igr2= 1341,1342, &end # # 85 ASN H 86 ARG H &rst iat= 1332,1346, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 ASN HA 86 ARG QD &rst iat= 1334, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1356,1357, &end # # 85 ASN QB 86 ARG H &rst iat= -1,1346, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1336,1337, &end # # 85 ASN QB 86 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1336,1337, igr2= 1356,1357, &end # # 85 ASN QD 86 ARG H &rst iat= -1,1346, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1341,1342, &end # # 85 ASN HA 87 LEU H &rst iat= 1334,1370, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 ASN HA 88 GLY H &rst iat= 1334,1389, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 85 ASN QB 88 GLY H &rst iat= -1,1389, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1336,1337, &end # # 86 ARG H 86 ARG QD &rst iat= 1346, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1356,1357, &end # # 86 ARG HA 86 ARG QG &rst iat= 1348, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1353,1354, &end # # 86 ARG HA 86 ARG QD &rst iat= 1348, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1356,1357, &end # # 86 ARG QB 86 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1350,1351, igr2= 1353,1354, &end # # 86 ARG QB 86 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= 1350,1351, igr2= 1356,1357, &end # # 86 ARG QG 86 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1353,1354, igr2= 1356,1357, &end # # 87 LEU H 87 LEU QB &rst iat= 1370, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1374,1375, &end # # 87 LEU QB 87 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1374,1375, igr2= 1379,1380,1381,1383,1384,1385, &end # # 87 LEU H 88 GLY H &rst iat= 1370,1389, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 LEU H 88 GLY QA &rst iat= 1370, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1391,1392, &end # # 87 LEU HA 88 GLY H &rst iat= 1372,1389, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 87 LEU HA 88 GLY QA &rst iat= 1372, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1391,1392, &end # # 87 LEU QB 88 GLY H &rst iat= -1,1389, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1374,1375, &end # # 87 LEU QB 88 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1374,1375, igr2= 1391,1392, &end # # 87 LEU QD 88 GLY QA &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1379,1380,1381,1383,1384,1385, igr2= 1391,1392, &end # # 88 GLY H 89 ARG H &rst iat= 1389,1396, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 88 GLY QA 89 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1391,1392, igr2= 1403,1404, &end # # 89 ARG H 89 ARG QB &rst iat= 1396, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1400,1401, &end # # 89 ARG H 89 ARG QG &rst iat= 1396, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1403,1404, &end # # 89 ARG H 89 ARG QD &rst iat= 1396, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1406,1407, &end # # 89 ARG HA 89 ARG QG &rst iat= 1398, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1403,1404, &end # # 89 ARG HA 89 ARG QD &rst iat= 1398, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1406,1407, &end # # 89 ARG QB 89 ARG QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1400,1401, igr2= 1403,1404, &end # # 89 ARG QB 89 ARG QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1400,1401, igr2= 1406,1407, &end # # 89 ARG H 90 THR H &rst iat= 1396,1420, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 ARG HA 90 THR QG2 &rst iat= 1398, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1426,1427,1428, &end # # 89 ARG QB 90 THR H &rst iat= -1,1420, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1400,1401, &end # # 89 ARG QB 90 THR HA &rst iat= -1,1422, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1400,1401, &end # # 89 ARG QB 90 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1400,1401, igr2= 1426,1427,1428, &end # # 89 ARG QD 90 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= 1406,1407, igr2= 1426,1427,1428, &end # # 89 ARG H 91 ASN H &rst iat= 1396,1434, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 89 ARG HA 91 ASN QD &rst iat= 1398, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1443,1444, &end # # 90 THR H 90 THR QG2 &rst iat= 1420, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1426,1427,1428, &end # # 90 THR HA 90 THR HB &rst iat= 1422,1424, 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= 1422,1436, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 90 THR HB 91 ASN QD &rst iat= 1424, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1443,1444, &end # # 90 THR QG2 91 ASN HA &rst iat= -1,1436, r1= 0, r2= 0, r3= 5.76, r4= 6.36, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1426,1427,1428, &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= 1426,1427,1428, igr2= 1438,1439, &end # # 90 THR QG2 91 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= 1426,1427,1428, igr2= 1443,1444, &end # # 91 ASN HA 91 ASN QD &rst iat= 1436, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1443,1444, &end # # 91 ASN QB 91 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= 1438,1439, igr2= 1443,1444, &end # # 92 ASN QB 92 ASN QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1452,1453, igr2= 1457,1458, &end # # 92 ASN HA 93 LEU H &rst iat= 1450,1462, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 92 ASN HA 93 LEU QB &rst iat= 1450, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1466,1467, &end # # 92 ASN QB 93 LEU H &rst iat= -1,1462, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1452,1453, &end # # 92 ASN QB 93 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1452,1453, igr2= 1466,1467, &end # # 92 ASN QD 93 LEU HA &rst iat= -1,1464, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1457,1458, &end # # 92 ASN QD 93 LEU QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1457,1458, igr2= 1466,1467, &end # # 92 ASN QD 93 LEU QD &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1457,1458, igr2= 1471,1472,1473,1475,1476,1477, &end # # 93 LEU H 93 LEU QB &rst iat= 1462, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1466,1467, &end # # 93 LEU H 93 LEU QD &rst iat= 1462, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1471,1472,1473,1475,1476,1477, &end # # 93 LEU HA 93 LEU QD &rst iat= 1464, -1, r1= 0, r2= 0, r3= 3.78, r4= 4.455, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1471,1472,1473,1475,1476,1477, &end # # 93 LEU H 94 LYS H &rst iat= 1462,1481, r1= 0, r2= 0, r3= 4.6, r4= 5.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 93 LEU H 94 LYS QG &rst iat= 1462, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1488,1489, &end # # 93 LEU HA 94 LYS H &rst iat= 1464,1481, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 93 LEU QB 94 LYS H &rst iat= -1,1481, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1466,1467, &end # # 93 LEU QD 94 LYS H &rst iat= -1,1481, r1= 0, r2= 0, r3= 7.425, r4= 8.1, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1471,1472,1473,1475,1476,1477, &end # # 93 LEU HA 95 THR QG2 &rst iat= 1464, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1509,1510,1511, &end # # 93 LEU H 96 ILE QG2 &rst iat= 1462, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1523,1524,1525, &end # # 94 LYS H 94 LYS QB &rst iat= 1481, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1485,1486, &end # # 94 LYS H 94 LYS QG &rst iat= 1481, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1488,1489, &end # # 94 LYS HA 94 LYS QG &rst iat= 1483, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1488,1489, &end # # 94 LYS H 95 THR H &rst iat= 1481,1503, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 94 LYS H 95 THR HA &rst iat= 1481,1505, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 94 LYS H 95 THR QG2 &rst iat= 1481, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1509,1510,1511, &end # # 94 LYS HA 95 THR QG2 &rst iat= 1483, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1509,1510,1511, &end # # 94 LYS QB 95 THR H &rst iat= -1,1503, r1= 0, r2= 0, r3= 5.04, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1485,1486, &end # # 94 LYS QB 95 THR HB &rst iat= -1,1507, r1= 0, r2= 0, r3= 5.264, r4= 5.824, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1485,1486, &end # # 94 LYS QB 95 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1485,1486, igr2= 1509,1510,1511, &end # # 94 LYS QG 95 THR QG2 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1488,1489, igr2= 1509,1510,1511, &end # # 94 LYS QD 95 THR H &rst iat= -1,1503, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1491,1492, &end # # 94 LYS H 96 ILE QG2 &rst iat= 1481, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1523,1524,1525, &end # # 95 THR H 95 THR QG2 &rst iat= 1503, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1509,1510,1511, &end # # 95 THR HA 95 THR HB &rst iat= 1505,1507, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 95 THR H 96 ILE H &rst iat= 1503,1517, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 95 THR H 96 ILE QD1 &rst iat= 1503, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1530,1531,1532, &end # # 95 THR HA 96 ILE H &rst iat= 1505,1517, r1= 0, r2= 0, r3= 3, r4= 3.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 95 THR HA 96 ILE QG2 &rst iat= 1505, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1523,1524,1525, &end # # 95 THR HB 96 ILE QD1 &rst iat= 1507, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1530,1531,1532, &end # # 95 THR QG2 96 ILE H &rst iat= -1,1517, r1= 0, r2= 0, r3= 5.16, r4= 5.76, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1509,1510,1511, &end # # 95 THR QG2 96 ILE HA &rst iat= -1,1519, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1509,1510,1511, &end # # 95 THR HA 97 GLY H &rst iat= 1505,1536, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 95 THR QG2 97 GLY H &rst iat= -1,1536, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1509,1510,1511, &end # # 95 THR HA 98 ILE H &rst iat= 1505,1543, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 96 ILE H 96 ILE HB &rst iat= 1517,1521, r1= 0, r2= 0, r3= 3.6, r4= 4.1, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 96 ILE H 96 ILE QG2 &rst iat= 1517, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1523,1524,1525, &end # # 96 ILE HA 96 ILE QG1 &rst iat= 1519, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1527,1528, &end # # 96 ILE HA 96 ILE QG2 &rst iat= 1519, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1523,1524,1525, &end # # 96 ILE HB 96 ILE QD1 &rst iat= 1521, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1530,1531,1532, &end # # 96 ILE QG2 96 ILE QG1 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.704, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1523,1524,1525, igr2= 1527,1528, &end # # 96 ILE H 97 GLY H &rst iat= 1517,1536, r1= 0, r2= 0, r3= 4.5, r4= 5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 96 ILE H 97 GLY QA &rst iat= 1517, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1538,1539, &end # # 96 ILE HA 97 GLY H &rst iat= 1519,1536, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 96 ILE HA 97 GLY QA &rst iat= 1519, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1538,1539, &end # # 96 ILE HB 97 GLY H &rst iat= 1521,1536, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 96 ILE HB 97 GLY QA &rst iat= 1521, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1538,1539, &end # # 96 ILE QG2 97 GLY H &rst iat= -1,1536, r1= 0, r2= 0, r3= 5.64, r4= 6.24, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1523,1524,1525, &end # # 96 ILE H 98 ILE H &rst iat= 1517,1543, r1= 0, r2= 0, r3= 4.7, r4= 5.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 96 ILE H 98 ILE QG1 &rst iat= 1517, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1553,1554, &end # # 96 ILE HB 98 ILE H &rst iat= 1521,1543, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 96 ILE QG1 98 ILE H &rst iat= -1,1543, r1= 0, r2= 0, r3= 4.256, r4= 4.816, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1527,1528, &end # # 96 ILE QG1 98 ILE HA &rst iat= -1,1545, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1527,1528, &end # # 96 ILE QD1 98 ILE H &rst iat= -1,1543, r1= 0, r2= 0, r3= 4.8, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1530,1531,1532, &end # # 96 ILE HB 99 LEU H &rst iat= 1521,1562, r1= 0, r2= 0, r3= 4, r4= 4.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 96 ILE HB 99 LEU QB &rst iat= 1521, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1566,1567, &end # # 96 ILE QG1 99 LEU H &rst iat= -1,1562, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1527,1528, &end # # 97 GLY H 98 ILE H &rst iat= 1536,1543, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 97 GLY H 98 ILE QG1 &rst iat= 1536, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1553,1554, &end # # 97 GLY H 98 ILE QD1 &rst iat= 1536, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1556,1557,1558, &end # # 97 GLY QA 98 ILE H &rst iat= -1,1543, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1538,1539, &end # # 97 GLY QA 99 LEU H &rst iat= -1,1562, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1538,1539, &end # # 97 GLY QA 100 GLN H &rst iat= -1,1581, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1538,1539, &end # # 98 ILE HA 98 ILE QG1 &rst iat= 1545, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1553,1554, &end # # 98 ILE HA 98 ILE QD1 &rst iat= 1545, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1556,1557,1558, &end # # 98 ILE H 99 LEU H &rst iat= 1543,1562, r1= 0, r2= 0, r3= 3.8, r4= 4.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 98 ILE HA 99 LEU H &rst iat= 1545,1562, r1= 0, r2= 0, r3= 2.8, r4= 3.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 98 ILE HA 99 LEU QB &rst iat= 1545, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1566,1567, &end # # 98 ILE HA 100 GLN H &rst iat= 1545,1581, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 98 ILE HB 100 GLN H &rst iat= 1547,1581, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 98 ILE HB 100 GLN QE &rst iat= 1547, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1593,1594, &end # # 98 ILE QG2 100 GLN QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1549,1550,1551, igr2= 1585,1586, &end # # 98 ILE QG2 100 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1549,1550,1551, igr2= 1588,1589, &end # # 98 ILE QG2 100 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= 1549,1550,1551, igr2= 1593,1594, &end # # 99 LEU H 99 LEU QB &rst iat= 1562, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1566,1567, &end # # 99 LEU H 99 LEU QD &rst iat= 1562, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1571,1572,1573,1575,1576,1577, &end # # 99 LEU HA 99 LEU QD &rst iat= 1564, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1571,1572,1573,1575,1576,1577, &end # # 99 LEU HA 100 GLN H &rst iat= 1564,1581, r1= 0, r2= 0, r3= 2.9, r4= 3.4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 99 LEU HA 100 GLN QG &rst iat= 1564, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1588,1589, &end # # 99 LEU QB 100 GLN H &rst iat= -1,1581, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1566,1567, &end # # 99 LEU QD 100 GLN H &rst iat= -1,1581, r1= 0, r2= 0, r3= 6.615, r4= 7.29, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1571,1572,1573,1575,1576,1577, &end # # 99 LEU HA 101 GLU H &rst iat= 1564,1598, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 100 GLN H 100 GLN QB &rst iat= 1581, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1585,1586, &end # # 100 GLN H 100 GLN QG &rst iat= 1581, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1588,1589, &end # # 100 GLN H 100 GLN QE &rst iat= 1581, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1593,1594, &end # # 100 GLN HA 100 GLN QG &rst iat= 1583, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1588,1589, &end # # 100 GLN HA 100 GLN QE &rst iat= 1583, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1593,1594, &end # # 100 GLN QB 100 GLN QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.136, r4= 3.7632, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1585,1586, igr2= 1588,1589, &end # # 100 GLN QB 100 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= 1585,1586, igr2= 1593,1594, &end # # 100 GLN QG 100 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= 1588,1589, igr2= 1593,1594, &end # # 100 GLN QG 101 GLU H &rst iat= -1,1598, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1588,1589, &end # # 102 GLU H 103 VAL H &rst iat= 1613,1628, r1= 0, r2= 0, r3= 4.1, r4= 4.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 102 GLU HA 103 VAL H &rst iat= 1615,1628, r1= 0, r2= 0, r3= 2.8, r4= 3.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 102 GLU HA 103 VAL HA &rst iat= 1615,1630, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 102 GLU HA 103 VAL QG &rst iat= 1615, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1634,1635,1636,1638,1639,1640, &end # # 102 GLU QB 103 VAL H &rst iat= -1,1628, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1617,1618, &end # # 102 GLU QG 103 VAL H &rst iat= -1,1628, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1620,1621, &end # # 103 VAL H 103 VAL HB &rst iat= 1628,1632, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 VAL H 103 VAL QG &rst iat= 1628, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1634,1635,1636,1638,1639,1640, &end # # 103 VAL HA 103 VAL QG &rst iat= 1630, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1634,1635,1636,1638,1639,1640, &end # # 103 VAL H 104 SER H &rst iat= 1628,1644, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 VAL HA 104 SER H &rst iat= 1630,1644, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 VAL HA 104 SER QB &rst iat= 1630, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1648,1649, &end # # 103 VAL HB 104 SER H &rst iat= 1632,1644, r1= 0, r2= 0, r3= 4.4, r4= 4.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 103 VAL QG 104 SER H &rst iat= -1,1644, r1= 0, r2= 0, r3= 6.48, r4= 7.155, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1634,1635,1636,1638,1639,1640, &end # # 103 VAL QG 104 SER HA &rst iat= -1,1646, r1= 0, r2= 0, r3= 6.075, r4= 6.75, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1634,1635,1636,1638,1639,1640, &end # # 103 VAL QG 104 SER QB &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1634,1635,1636,1638,1639,1640, igr2= 1648,1649, &end # # 103 VAL HA 105 SER H &rst iat= 1630,1655, r1= 0, r2= 0, r3= 5.2, r4= 5.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 104 SER H 104 SER QB &rst iat= 1644, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1648,1649, &end # # 104 SER HA 104 SER QB &rst iat= 1646, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1648,1649, &end # # 104 SER H 106 MET H &rst iat= 1644,1666, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 104 SER H 107 GLU HA &rst iat= 1644,1685, r1= 0, r2= 0, r3= 5.1, r4= 5.6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 104 SER H 107 GLU QB &rst iat= 1644, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1687,1688, &end # # 104 SER HA 107 GLU QB &rst iat= 1646, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1687,1688, &end # # 106 MET HA 106 MET QG &rst iat= 1668, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1673,1674, &end # # 106 MET HA 107 GLU H &rst iat= 1668,1683, r1= 0, r2= 0, r3= 3.4, r4= 3.9, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 106 MET HA 107 GLU HA &rst iat= 1668,1685, r1= 0, r2= 0, r3= 5, r4= 5.5, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 106 MET QB 107 GLU H &rst iat= -1,1683, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1670,1671, &end # # 106 MET HA 108 ALA H &rst iat= 1668,1698, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 106 MET QB 108 ALA H &rst iat= -1,1698, r1= 0, r2= 0, r3= 5.152, r4= 5.712, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1670,1671, &end # # 107 GLU H 107 GLU QB &rst iat= 1683, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1687,1688, &end # # 107 GLU H 107 GLU QG &rst iat= 1683, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1690,1691, &end # # 107 GLU HA 107 GLU QG &rst iat= 1685, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1690,1691, &end # # 107 GLU HA 108 ALA H &rst iat= 1685,1698, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 107 GLU QB 108 ALA H &rst iat= -1,1698, r1= 0, r2= 0, r3= 5.488, r4= 6.048, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1687,1688, &end # # 107 GLU QG 108 ALA H &rst iat= -1,1698, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1690,1691, &end # # 108 ALA H 108 ALA QB &rst iat= 1698, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1702,1703,1704, &end # # 108 ALA HA 109 LYS H &rst iat= 1700,1708, r1= 0, r2= 0, r3= 3.2, r4= 3.7, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 108 ALA HA 109 LYS QG &rst iat= 1700, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1715,1716, &end # # 108 ALA QB 109 LYS H &rst iat= -1,1708, r1= 0, r2= 0, r3= 5.4, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1702,1703,1704, &end # # 108 ALA QB 110 SER H &rst iat= -1,1730, r1= 0, r2= 0, r3= 6.6, r4= 7.2, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1702,1703,1704, &end # # 109 LYS H 109 LYS QB &rst iat= 1708, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1712,1713, &end # # 109 LYS HA 109 LYS QD &rst iat= 1710, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1718,1719, &end # # 109 LYS QB 110 SER H &rst iat= -1,1730, r1= 0, r2= 0, r3= 5.936, r4= 6.496, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1712,1713, &end # # 110 SER H 110 SER QB &rst iat= 1730, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1734,1735, &end # # 110 SER HA 110 SER QB &rst iat= 1732, -1, r1= 0, r2= 0, r3= 3.136, r4= 3.696, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1734,1735, &end # # 110 SER HA 111 MET QB &rst iat= 1732, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1745,1746, &end # # 110 SER QB 111 MET H &rst iat= -1,1741, r1= 0, r2= 0, r3= 5.824, r4= 6.384, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1734,1735, &end # # 111 MET H 111 MET QG &rst iat= 1741, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1748,1749, &end # # 111 MET HA 111 MET QG &rst iat= 1743, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1748,1749, &end # # 111 MET QB 111 MET QG &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1745,1746, igr2= 1748,1749, &end # # 111 MET H 112 THR H &rst iat= 1741,1758, r1= 0, r2= 0, r3= 5.5, r4= 6, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 111 MET HA 112 THR H &rst iat= 1743,1758, r1= 0, r2= 0, r3= 3.5, r4= 4, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 111 MET HA 112 THR HB &rst iat= 1743,1762, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 111 MET QB 112 THR H &rst iat= -1,1758, r1= 0, r2= 0, r3= 5.376, r4= 5.936, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1745,1746, &end # # 111 MET QG 112 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= 1748,1749, igr2= 1764,1765,1766, &end # # 111 MET QB 113 TRP H &rst iat= -1,1772, r1= 0, r2= 0, r3= 6.16, r4= 6.72, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1745,1746, &end # # 112 THR H 112 THR QG2 &rst iat= 1758, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1764,1765,1766, &end # # 112 THR HA 112 THR QG2 &rst iat= 1760, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1764,1765,1766, &end # # 112 THR H 113 TRP H &rst iat= 1758,1772, r1= 0, r2= 0, r3= 4.8, r4= 5.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 112 THR HA 113 TRP H &rst iat= 1760,1772, r1= 0, r2= 0, r3= 2.8, r4= 3.3, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 112 THR HA 113 TRP HA &rst iat= 1760,1774, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 112 THR HA 113 TRP HE3 &rst iat= 1760,1791, r1= 0, r2= 0, r3= 5.3, r4= 5.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 112 THR HB 113 TRP H &rst iat= 1762,1772, r1= 0, r2= 0, r3= 3.7, r4= 4.2, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 112 THR QG2 113 TRP H &rst iat= -1,1772, r1= 0, r2= 0, r3= 5.04, r4= 5.64, rk2= 0.00, rk3= 20.00, ir6=1, igr1= 1764,1765,1766, &end # # 113 TRP H 113 TRP QB &rst iat= 1772, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592, rk2= 0.00, rk3= 20.00, ir6=1, igr2= 1776,1777, &end # # 113 TRP HA 113 TRP HD1 &rst iat= 1774,1780, r1= 0, r2= 0, r3= 4.3, r4= 4.8, rk2= 0.00, rk3= 20.00, ir6=1, &end # # 113 TRP HA 113 TRP HE3 &rst iat= 1774,1791, r1= 0, r2= 0, r3= 4.2, r4= 4.7, rk2= 0.00, rk3= 20.00, ir6=1, &end #
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