*HEADER DE NOVO PROTEIN 17-NOV-08 SMS20055 *TITLE TETRAMER OF KIA7H PEPTIDE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: KIA7H; *COMPND 3 CHAIN: A, B, C, D; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; *SOURCE 4 ORGANISM_TAXID: 32630; *SOURCE 5 OTHER_DETAILS: ALL PEPTIDES WERE PURCHASED FROM CASLO LAB *KEYWDS OLIGOMER, PREBIOTIC, DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR J.P.LOPEZ-ALONSO, M.A.PARDO-CEA, J.LOPEZ DE LA OSA, A.CHAKRABARTTY, *AUTHOR 2 C.GONZALEZ, D.V.LAURENTS # # 2 ALA HN 2 ALA HA 3.50 398 &rst ixpk= 0, nxpk= 0, iat= 8, 10, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2=20.0, rk3=20.0, ir6=1, ialtd=0, &end # # 24 ALA HN 24 ALA HA 3.50 398 &rst ixpk= 0, nxpk= 0, iat= 290, 292, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 46 ALA HN 46 ALA HA 3.50 398 &rst ixpk= 0, nxpk= 0, iat= 572, 574, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 68 ALA HN 68 ALA HA 3.50 398 &rst ixpk= 0, nxpk= 0, iat= 854, 856, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 2 ALA HN 2 ALA QB 4.03 79 &rst ixpk= 0, nxpk= 0, iat= 8, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 12, 13, 14, &end # # 24 ALA HN 24 ALA QB 4.03 79 &rst ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 294, 295, 296, &end # # 46 ALA HN 46 ALA QB 4.03 79 &rst ixpk= 0, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 576, 577, 578, &end # # 68 ALA HN 68 ALA QB 4.03 79 &rst ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 858, 859, 860, &end # # 2 ALA HA 2 ALA QB 3.28 401 &rst ixpk= 0, nxpk= 0, iat= 10, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr2= 12, 13, 14, &end # # 24 ALA HA 24 ALA QB 3.28 401 &rst ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr2= 294, 295, 296, &end # # 46 ALA HA 46 ALA QB 3.28 401 &rst ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr2= 576, 577, 578, &end # # 68 ALA HA 68 ALA QB 3.28 401 &rst ixpk= 0, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr2= 858, 859, 860, &end # # 2 ALA HA 5 ALA HN 6.50 399 &rst ixpk= 0, nxpk= 0, iat= 10, 50, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 24 ALA HA 27 ALA HN 6.50 399 &rst ixpk= 0, nxpk= 0, iat= 292, 332, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 46 ALA HA 49 ALA HN 6.50 399 &rst ixpk= 0, nxpk= 0, iat= 574, 614, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 68 ALA HA 71 ALA HN 6.50 399 &rst ixpk= 0, nxpk= 0, iat= 856, 896, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 2 ALA HA 5 ALA QB 7.00 568 &rst ixpk= 0, nxpk= 0, iat= 10, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr2= 54, 55, 56, &end # # 24 ALA HA 27 ALA QB 7.00 568 &rst ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr2= 336, 337, 338, &end # # 46 ALA HA 49 ALA QB 7.00 568 &rst ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr2= 618, 619, 620, &end # # 68 ALA HA 71 ALA QB 7.00 568 &rst ixpk= 0, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr2= 900, 901, 902, &end # # 2 ALA QB 5 ALA HN 7.00 81 &rst ixpk= 0, nxpk= 0, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 12, 13, 14, &end # # 24 ALA QB 27 ALA HN 7.00 81 &rst ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 294, 295, 296, &end # # 46 ALA QB 49 ALA HN 7.00 81 &rst ixpk= 0, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 576, 577, 578, &end # # 68 ALA QB 71 ALA HN 7.00 81 &rst ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 858, 859, 860, &end # # 3 LYS HN 3 LYS HA 3.50 492 &rst ixpk= 0, nxpk= 0, iat= 18, 20, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 25 LYS HN 25 LYS HA 3.50 492 &rst ixpk= 0, nxpk= 0, iat= 300, 302, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 47 LYS HN 47 LYS HA 3.50 492 &rst ixpk= 0, nxpk= 0, iat= 582, 584, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 69 LYS HN 69 LYS HA 3.50 492 &rst ixpk= 0, nxpk= 0, iat= 864, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 3 LYS HN 4 ALA HN 4.50 492 &rst ixpk= 0, nxpk= 0, iat= 18, 40, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 25 LYS HN 26 ALA HN 4.50 492 &rst ixpk= 0, nxpk= 0, iat= 300, 322, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 47 LYS HN 48 ALA HN 4.50 492 &rst ixpk= 0, nxpk= 0, iat= 582, 604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 69 LYS HN 70 ALA HN 4.50 492 &rst ixpk= 0, nxpk= 0, iat= 864, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 3 LYS HA 3 LYS QB 3.50 490 &rst ixpk= 0, nxpk= 0, iat= 20, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 22, 23, &end # # 25 LYS HA 25 LYS QB 3.50 490 &rst ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 304, 305, &end # # 47 LYS HA 47 LYS QB 3.50 490 &rst ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 586, 587, &end # # 69 LYS HA 69 LYS QB 3.50 490 &rst ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 868, 869, &end # # 3 LYS HA 4 ALA HN 4.00 145 &rst ixpk= 0, nxpk= 0, iat= 20, 40, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 25 LYS HA 26 ALA HN 4.00 145 &rst ixpk= 0, nxpk= 0, iat= 302, 322, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 47 LYS HA 48 ALA HN 4.00 145 &rst ixpk= 0, nxpk= 0, iat= 584, 604, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 69 LYS HA 70 ALA HN 4.00 145 &rst ixpk= 0, nxpk= 0, iat= 866, 886, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 4 ALA HN 4 ALA HA 3.50 144 &rst ixpk= 0, nxpk= 0, iat= 40, 42, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 26 ALA HN 26 ALA HA 3.50 144 &rst ixpk= 0, nxpk= 0, iat= 322, 324, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 48 ALA HN 48 ALA HA 3.50 144 &rst ixpk= 0, nxpk= 0, iat= 604, 606, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 70 ALA HN 70 ALA HA 3.50 144 &rst ixpk= 0, nxpk= 0, iat= 886, 888, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 4 ALA HN 4 ALA QB 4.33 140 &rst ixpk= 0, nxpk= 0, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 44, 45, 46, &end # # 26 ALA HN 26 ALA QB 4.33 140 &rst ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 326, 327, 328, &end # # 48 ALA HN 48 ALA QB 4.33 140 &rst ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 608, 609, 610, &end # # 70 ALA HN 70 ALA QB 4.33 140 &rst ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 890, 891, 892, &end # # 4 ALA HA 4 ALA QB 4.33 149 &rst ixpk= 0, nxpk= 0, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 44, 45, 46, &end # # 26 ALA HA 26 ALA QB 4.33 149 &rst ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 326, 327, 328, &end # # 48 ALA HA 48 ALA QB 4.33 149 &rst ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 608, 609, 610, &end # # 70 ALA HA 70 ALA QB 4.33 149 &rst ixpk= 0, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 890, 891, 892, &end # # 4 ALA HA 5 ALA HN 4.00 2 &rst ixpk= 0, nxpk= 0, iat= 42, 50, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 26 ALA HA 27 ALA HN 4.00 2 &rst ixpk= 0, nxpk= 0, iat= 324, 332, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 48 ALA HA 49 ALA HN 4.00 2 &rst ixpk= 0, nxpk= 0, iat= 606, 614, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 70 ALA HA 71 ALA HN 4.00 2 &rst ixpk= 0, nxpk= 0, iat= 888, 896, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 4 ALA HA 7 ALA HN 5.50 5 &rst ixpk= 0, nxpk= 0, iat= 42, 70, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 26 ALA HA 29 ALA HN 5.50 5 &rst ixpk= 0, nxpk= 0, iat= 324, 352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 48 ALA HA 51 ALA HN 5.50 5 &rst ixpk= 0, nxpk= 0, iat= 606, 634, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 70 ALA HA 73 ALA HN 5.50 5 &rst ixpk= 0, nxpk= 0, iat= 888, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 4 ALA HA 8 ALA HN 7.00 4 &rst ixpk= 0, nxpk= 0, iat= 42, 80, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 26 ALA HA 30 ALA HN 7.00 4 &rst ixpk= 0, nxpk= 0, iat= 324, 362, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 48 ALA HA 52 ALA HN 7.00 4 &rst ixpk= 0, nxpk= 0, iat= 606, 644, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 70 ALA HA 74 ALA HN 7.00 4 &rst ixpk= 0, nxpk= 0, iat= 888, 926, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 4 ALA HA 43 HIS HE1 6.50 4 &rst ixpk= 0, nxpk= 0, iat= 42, 556, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 26 ALA HA 21 HIS HE1 6.50 4 &rst ixpk= 0, nxpk= 0, iat= 324, 274, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 48 ALA HA 87 HIS HE1 6.50 4 &rst ixpk= 0, nxpk= 0, iat= 606,1120, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 70 ALA HA 65 HIS HE1 6.50 4 &rst ixpk= 0, nxpk= 0, iat= 888, 838, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 4 ALA QB 5 ALA HN 4.76 158 &rst ixpk= 0, nxpk= 0, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 44, 45, 46, &end # # 26 ALA QB 27 ALA HN 4.76 158 &rst ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 326, 327, 328, &end # # 48 ALA QB 49 ALA HN 4.76 158 &rst ixpk= 0, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 608, 609, 610, &end # # 70 ALA QB 71 ALA HN 4.76 158 &rst ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 890, 891, 892, &end # # 4 ALA QB 43 HIS HE1 5.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 44, 45, 46, &end # # 26 ALA QB 21 HIS HE1 5.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 326, 327, 328, &end # # 48 ALA QB 87 HIS HE1 5.50 4 &rst ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 608, 609, 610, &end # # 70 ALA QB 65 HIS HE1 5.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 890, 891, 892, &end # # 5 ALA HN 5 ALA HA 3.46 25 &rst ixpk= 0, nxpk= 0, iat= 50, 52, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 27 ALA HN 27 ALA HA 3.46 25 &rst ixpk= 0, nxpk= 0, iat= 332, 334, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 49 ALA HN 49 ALA HA 3.46 25 &rst ixpk= 0, nxpk= 0, iat= 614, 616, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 71 ALA HN 71 ALA HA 3.46 25 &rst ixpk= 0, nxpk= 0, iat= 896, 898, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 5 ALA HN 5 ALA QB 4.54 82 &rst ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2= 54, 55, 56, &end # # 27 ALA HN 27 ALA QB 4.54 82 &rst ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2= 336, 337, 338, &end # # 49 ALA HN 49 ALA QB 4.54 82 &rst ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2= 618, 619, 620, &end # # 71 ALA HN 71 ALA QB 4.54 82 &rst ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2= 900, 901, 902, &end # # 5 ALA HN 6 ALA HN 4.00 150 &rst ixpk= 0, nxpk= 0, iat= 50, 60, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 27 ALA HN 28 ALA HN 4.00 150 &rst ixpk= 0, nxpk= 0, iat= 332, 342, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 49 ALA HN 50 ALA HN 4.00 150 &rst ixpk= 0, nxpk= 0, iat= 614, 624, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 71 ALA HN 72 ALA HN 4.00 150 &rst ixpk= 0, nxpk= 0, iat= 896, 906, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 5 ALA HN 6 ALA HA 6.50 495 &rst ixpk= 0, nxpk= 0, iat= 50, 62, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 27 ALA HN 28 ALA HA 6.50 495 &rst ixpk= 0, nxpk= 0, iat= 332, 344, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 49 ALA HN 50 ALA HA 6.50 495 &rst ixpk= 0, nxpk= 0, iat= 614, 626, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 71 ALA HN 72 ALA HA 6.50 495 &rst ixpk= 0, nxpk= 0, iat= 896, 908, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 5 ALA HN 7 ALA HN 6.00 472 &rst ixpk= 0, nxpk= 0, iat= 50, 70, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 27 ALA HN 29 ALA HN 6.00 472 &rst ixpk= 0, nxpk= 0, iat= 332, 352, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 49 ALA HN 51 ALA HN 6.00 472 &rst ixpk= 0, nxpk= 0, iat= 614, 634, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 71 ALA HN 73 ALA HN 6.00 472 &rst ixpk= 0, nxpk= 0, iat= 896, 916, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 5 ALA HN 8 ALA HN 7.03 489 &rst ixpk= 0, nxpk= 0, iat= 50, 80, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, &end # # 27 ALA HN 30 ALA HN 7.03 489 &rst ixpk= 0, nxpk= 0, iat= 332, 362, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, &end # # 49 ALA HN 52 ALA HN 7.03 489 &rst ixpk= 0, nxpk= 0, iat= 614, 644, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, &end # # 71 ALA HN 74 ALA HN 7.03 489 &rst ixpk= 0, nxpk= 0, iat= 896, 926, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, &end # # 5 ALA HN 8 ALA QB 7.53 489 &rst ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 84, 85, 86, &end # # 27 ALA HN 30 ALA QB 7.53 489 &rst ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 366, 367, 368, &end # # 49 ALA HN 52 ALA QB 7.53 489 &rst ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 648, 649, 650, &end # # 71 ALA HN 74 ALA QB 7.53 489 &rst ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 930, 931, 932, &end # # 5 ALA HN 43 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= 50, 556, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 27 ALA HN 21 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= 332, 274, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 49 ALA HN 87 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= 614,1120, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 71 ALA HN 65 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= 896, 838, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 5 ALA HN 9 ILE QD1 8.03 477 &rst ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 103, 104, 105, &end # # 27 ALA HN 31 ILE QD1 8.03 477 &rst ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 385, 386, 387, &end # # 49 ALA HN 53 ILE QD1 8.03 477 &rst ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 667, 668, 669, &end # # 71 ALA HN 75 ILE QD1 8.03 477 &rst ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 949, 950, 951, &end # # 5 ALA HA 5 ALA QB 3.56 153 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, igr2= 54, 55, 56, &end # # 27 ALA HA 27 ALA QB 3.56 153 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, igr2= 336, 337, 338, &end # # 49 ALA HA 49 ALA QB 3.56 153 &rst ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, igr2= 618, 619, 620, &end # # 71 ALA HA 71 ALA QB 3.56 153 &rst ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, igr2= 900, 901, 902, &end # # 5 ALA HA 6 ALA HN 5.05 383 &rst ixpk= 0, nxpk= 0, iat= 52, 60, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 27 ALA HA 28 ALA HN 5.05 383 &rst ixpk= 0, nxpk= 0, iat= 334, 342, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 49 ALA HA 50 ALA HN 5.05 383 &rst ixpk= 0, nxpk= 0, iat= 616, 624, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 71 ALA HA 72 ALA HN 5.05 383 &rst ixpk= 0, nxpk= 0, iat= 898, 906, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 5 ALA HA 8 ALA HN 5.00 496 &rst ixpk= 0, nxpk= 0, iat= 52, 80, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 27 ALA HA 30 ALA HN 5.00 496 &rst ixpk= 0, nxpk= 0, iat= 334, 362, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 49 ALA HA 52 ALA HN 5.00 496 &rst ixpk= 0, nxpk= 0, iat= 616, 644, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 71 ALA HA 74 ALA HN 5.00 496 &rst ixpk= 0, nxpk= 0, iat= 898, 926, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 5 ALA HA 8 ALA QB 6.55 567 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr2= 84, 85, 86, &end # # 27 ALA HA 30 ALA QB 6.55 567 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr2= 366, 367, 368, &end # # 49 ALA HA 52 ALA QB 6.55 567 &rst ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr2= 648, 649, 650, &end # # 71 ALA HA 74 ALA QB 6.55 567 &rst ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr2= 930, 931, 932, &end # # 5 ALA HA 9 ILE HB 7.50 642 &rst ixpk= 0, nxpk= 0, iat= 52, 94, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 27 ALA HA 31 ILE HB 7.50 642 &rst ixpk= 0, nxpk= 0, iat= 334, 376, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 49 ALA HA 53 ILE HB 7.50 642 &rst ixpk= 0, nxpk= 0, iat= 616, 658, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 71 ALA HA 75 ILE HB 7.50 642 &rst ixpk= 0, nxpk= 0, iat= 898, 940, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 5 ALA HA 9 ILE QD1 7.03 556 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 103, 104, 105, &end # # 27 ALA HA 31 ILE QD1 7.03 556 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 385, 386, 387, &end # # 49 ALA HA 53 ILE QD1 7.03 556 &rst ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 667, 668, 669, &end # # 71 ALA HA 75 ILE QD1 7.03 556 &rst ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 949, 950, 951, &end # # 5 ALA HA 53 ILE QD1 8.53 556 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 667, 668, 669, &end # # 27 ALA HA 75 ILE QD1 8.53 556 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 949, 950, 951, &end # # 49 ALA HA 9 ILE QD1 8.53 556 &rst ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 103, 104, 105, &end # # 71 ALA HA 31 ILE QD1 8.53 556 &rst ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 385, 386, 387, &end # # 5 ALA HA 9 ILE QG1 6.00 633 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 100, 101, &end # # 27 ALA HA 31 ILE QG1 6.00 633 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 382, 383, &end # # 49 ALA HA 53 ILE QG1 6.00 633 &rst ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 664, 665, &end # # 71 ALA HA 75 ILE QG1 6.00 633 &rst ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 946, 947, &end # # 5 ALA HA 53 ILE QG2 8.52 131 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02, igr2= 660, 661, 662, &end # # 27 ALA HA 75 ILE QG2 8.52 131 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02, igr2= 942, 943, 944, &end # # 49 ALA HA 9 ILE QG2 8.52 131 &rst ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02, igr2= 96, 97, 98, &end # # 71 ALA HA 31 ILE QG2 8.52 131 &rst ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02, igr2= 378, 379, 380, &end # # 5 ALA HA 9 ILE QG2 7.32 131 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82, igr2= 96, 97, 98, &end # # 27 ALA HA 31 ILE QG2 7.32 131 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82, igr2= 378, 379, 380, &end # # 49 ALA HA 53 ILE QG2 7.32 131 &rst ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82, igr2= 660, 661, 662, &end # # 71 ALA HA 75 ILE QG2 7.32 131 &rst ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82, igr2= 942, 943, 944, &end # # 5 ALA HA 43 HIS HE1 4.50 4 &rst ixpk= 0, nxpk= 0, iat= 52, 556, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 27 ALA HA 21 HIS HE1 4.50 4 &rst ixpk= 0, nxpk= 0, iat= 334, 274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 49 ALA HA 87 HIS HE1 4.50 4 &rst ixpk= 0, nxpk= 0, iat= 616,1120, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 71 ALA HA 65 HIS HE1 4.50 4 &rst ixpk= 0, nxpk= 0, iat= 898, 838, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 ALA QB 6 ALA HN 5.00 159 &rst ixpk= 0, nxpk= 0, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 54, 55, 56, &end # # 27 ALA QB 28 ALA HN 5.00 159 &rst ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 336, 337, 338, &end # # 49 ALA QB 50 ALA HN 5.00 159 &rst ixpk= 0, nxpk= 0, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 618, 619, 620, &end # # 71 ALA QB 72 ALA HN 5.00 159 &rst ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 900, 901, 902, &end # # 5 ALA QB 6 ALA HA 6.03 386 &rst ixpk= 0, nxpk= 0, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 54, 55, 56, &end # # 27 ALA QB 28 ALA HA 6.03 386 &rst ixpk= 0, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 336, 337, 338, &end # # 49 ALA QB 50 ALA HA 6.03 386 &rst ixpk= 0, nxpk= 0, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 618, 619, 620, &end # # 71 ALA QB 72 ALA HA 6.03 386 &rst ixpk= 0, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 900, 901, 902, &end # # 5 ALA QB 7 ALA HN 7.02 222 &rst ixpk= 0, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr1= 54, 55, 56, &end # # 27 ALA QB 29 ALA HN 7.02 222 &rst ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr1= 336, 337, 338, &end # # 49 ALA QB 51 ALA HN 7.02 222 &rst ixpk= 0, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr1= 618, 619, 620, &end # # 71 ALA QB 73 ALA HN 7.02 222 &rst ixpk= 0, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr1= 900, 901, 902, &end # # 5 ALA QB 9 ILE HA 8.03 644 &rst ixpk= 0, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 54, 55, 56, &end # # 27 ALA QB 31 ILE HA 8.03 644 &rst ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 336, 337, 338, &end # # 49 ALA QB 53 ILE HA 8.03 644 &rst ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 618, 619, 620, &end # # 71 ALA QB 75 ILE HA 8.03 644 &rst ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 900, 901, 902, &end # # 5 ALA QB 9 ILE HB 6.94 647 &rst ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr1= 54, 55, 56, &end # # 27 ALA QB 31 ILE HB 6.94 647 &rst ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr1= 336, 337, 338, &end # # 49 ALA QB 53 ILE HB 6.94 647 &rst ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr1= 618, 619, 620, &end # # 71 ALA QB 75 ILE HB 6.94 647 &rst ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr1= 900, 901, 902, &end # # 5 ALA QB 9 ILE QD1 8.00 580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 54, 55, 56, igr2= 103, 104, 105, &end # # 27 ALA QB 31 ILE QD1 8.00 580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 336, 337, 338, igr2= 385, 386, 387, &end # # 49 ALA QB 53 ILE QD1 8.00 580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 618, 619, 620, igr2= 667, 668, 669, &end # # 71 ALA QB 75 ILE QD1 8.00 580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 900, 901, 902, igr2= 949, 950, 951, &end # # 5 ALA QB 53 ILE QD1 7.80 580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30, igr1= 54, 55, 56, igr2= 667, 668, 669, &end # # 27 ALA QB 75 ILE QD1 7.80 580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30, igr1= 336, 337, 338, igr2= 949, 950, 951, &end # # 49 ALA QB 9 ILE QD1 7.80 580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30, igr1= 618, 619, 620, igr2= 103, 104, 105, &end # # 71 ALA QB 31 ILE QD1 7.80 580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30, igr1= 900, 901, 902, igr2= 385, 386, 387, &end # # 5 ALA QB 9 ILE QG2 8.05 625 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 54, 55, 56, igr2= 96, 97, 98, &end # # 27 ALA QB 31 ILE QG2 8.05 625 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 336, 337, 338, igr2= 378, 379, 380, &end # # 49 ALA QB 53 ILE QG2 8.05 625 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 618, 619, 620, igr2= 660, 661, 662, &end # # 71 ALA QB 75 ILE QG2 8.05 625 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 900, 901, 902, igr2= 942, 943, 944, &end # # 5 ALA QB 53 ILE QG2 8.55 625 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05, igr1= 54, 55, 56, igr2= 660, 661, 662, &end # # 27 ALA QB 75 ILE QG2 8.55 625 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05, igr1= 336, 337, 338, igr2= 942, 943, 944, &end # # 49 ALA QB 9 ILE QG2 8.55 625 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05, igr1= 618, 619, 620, igr2= 96, 97, 98, &end # # 71 ALA QB 31 ILE QG2 8.55 625 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05, igr1= 900, 901, 902, igr2= 378, 379, 380, &end # # 5 ALA QB 10 LYS HN 8.05 625 &rst ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 54, 55, 56, &end # # 27 ALA QB 32 LYS HN 8.05 625 &rst ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 336, 337, 338, &end # # 49 ALA QB 54 LYS HN 8.05 625 &rst ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 618, 619, 620, &end # # 71 ALA QB 76 LYS HN 8.05 625 &rst ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 900, 901, 902, &end # # 5 ALA QB 43 HIS HE1 5.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 54, 55, 56, &end # # 27 ALA QB 21 HIS HE1 5.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 336, 337, 338, &end # # 49 ALA QB 87 HIS HE1 5.50 4 &rst ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 618, 619, 620, &end # # 71 ALA QB 65 HIS HE1 5.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 900, 901, 902, &end # # 6 ALA HN 6 ALA HA 3.52 378 &rst ixpk= 0, nxpk= 0, iat= 60, 62, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 28 ALA HN 28 ALA HA 3.52 378 &rst ixpk= 0, nxpk= 0, iat= 342, 344, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 50 ALA HN 50 ALA HA 3.52 378 &rst ixpk= 0, nxpk= 0, iat= 624, 626, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 72 ALA HN 72 ALA HA 3.52 378 &rst ixpk= 0, nxpk= 0, iat= 906, 908, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 6 ALA HN 6 ALA QB 4.49 58 &rst ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 64, 65, 66, &end # # 28 ALA HN 28 ALA QB 4.49 58 &rst ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 346, 347, 348, &end # # 50 ALA HN 50 ALA QB 4.49 58 &rst ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 628, 629, 630, &end # # 72 ALA HN 72 ALA QB 4.49 58 &rst ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 910, 911, 912, &end # # 6 ALA HN 7 ALA HN 3.50 380 &rst ixpk= 0, nxpk= 0, iat= 60, 70, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 28 ALA HN 29 ALA HN 3.50 380 &rst ixpk= 0, nxpk= 0, iat= 342, 352, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 50 ALA HN 51 ALA HN 3.50 380 &rst ixpk= 0, nxpk= 0, iat= 624, 634, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 72 ALA HN 73 ALA HN 3.50 380 &rst ixpk= 0, nxpk= 0, iat= 906, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 6 ALA HA 6 ALA QB 4.03 384 &rst ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 64, 65, 66, &end # # 28 ALA HA 28 ALA QB 4.03 384 &rst ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 346, 347, 348, &end # # 50 ALA HA 50 ALA QB 4.03 384 &rst ixpk= 0, nxpk= 0, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 628, 629, 630, &end # # 72 ALA HA 72 ALA QB 4.03 384 &rst ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 910, 911, 912, &end # # 6 ALA HA 7 ALA HN 4.42 23 &rst ixpk= 0, nxpk= 0, iat= 62, 70, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 28 ALA HA 29 ALA HN 4.42 23 &rst ixpk= 0, nxpk= 0, iat= 344, 352, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 50 ALA HA 51 ALA HN 4.42 23 &rst ixpk= 0, nxpk= 0, iat= 626, 634, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 72 ALA HA 73 ALA HN 4.42 23 &rst ixpk= 0, nxpk= 0, iat= 908, 916, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 6 ALA HA 9 ILE HB 5.50 388 &rst ixpk= 0, nxpk= 0, iat= 62, 94, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 28 ALA HA 31 ILE HB 5.50 388 &rst ixpk= 0, nxpk= 0, iat= 344, 376, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 50 ALA HA 53 ILE HB 5.50 388 &rst ixpk= 0, nxpk= 0, iat= 626, 658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 72 ALA HA 75 ILE HB 5.50 388 &rst ixpk= 0, nxpk= 0, iat= 908, 940, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 6 ALA HA 9 ILE QD1 7.20 389 &rst ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr2= 103, 104, 105, &end # # 28 ALA HA 31 ILE QD1 7.20 389 &rst ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr2= 385, 386, 387, &end # # 50 ALA HA 53 ILE QD1 7.20 389 &rst ixpk= 0, nxpk= 0, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr2= 667, 668, 669, &end # # 72 ALA HA 75 ILE QD1 7.20 389 &rst ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr2= 949, 950, 951, &end # # 6 ALA HA 9 ILE QG1 8.00 391 &rst ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 100, 101, &end # # 28 ALA HA 31 ILE QG1 8.00 391 &rst ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 382, 383, &end # # 50 ALA HA 53 ILE QG1 8.00 391 &rst ixpk= 0, nxpk= 0, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 664, 665, &end # # 72 ALA HA 75 ILE QG1 8.00 391 &rst ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 946, 947, &end # # 6 ALA HA 9 ILE QG2 7.03 182 &rst ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 96, 97, 98, &end # # 28 ALA HA 31 ILE QG2 7.03 182 &rst ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 378, 379, 380, &end # # 50 ALA HA 53 ILE QG2 7.03 182 &rst ixpk= 0, nxpk= 0, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 660, 661, 662, &end # # 72 ALA HA 75 ILE QG2 7.03 182 &rst ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 942, 943, 944, &end # # 6 ALA HA 10 LYS HN 7.30 377 &rst ixpk= 0, nxpk= 0, iat= 62, 109, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, &end # # 28 ALA HA 32 LYS HN 7.30 377 &rst ixpk= 0, nxpk= 0, iat= 344, 391, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, &end # # 50 ALA HA 54 LYS HN 7.30 377 &rst ixpk= 0, nxpk= 0, iat= 626, 673, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, &end # # 72 ALA HA 76 LYS HN 7.30 377 &rst ixpk= 0, nxpk= 0, iat= 908, 955, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, &end # # 6 ALA QB 7 ALA HN 5.53 382 &rst ixpk= 0, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 64, 65, 66, &end # # 28 ALA QB 29 ALA HN 5.53 382 &rst ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 346, 347, 348, &end # # 50 ALA QB 51 ALA HN 5.53 382 &rst ixpk= 0, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 628, 629, 630, &end # # 72 ALA QB 73 ALA HN 5.53 382 &rst ixpk= 0, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 910, 911, 912, &end # # 7 ALA HN 7 ALA HA 3.50 375 &rst ixpk= 0, nxpk= 0, iat= 70, 72, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 29 ALA HN 29 ALA HA 3.50 375 &rst ixpk= 0, nxpk= 0, iat= 352, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 51 ALA HN 51 ALA HA 3.50 375 &rst ixpk= 0, nxpk= 0, iat= 634, 636, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 73 ALA HN 73 ALA HA 3.50 375 &rst ixpk= 0, nxpk= 0, iat= 916, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 7 ALA HN 7 ALA QB 3.53 221 &rst ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 74, 75, 76, &end # # 29 ALA HN 29 ALA QB 3.53 221 &rst ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 356, 357, 358, &end # # 51 ALA HN 51 ALA QB 3.53 221 &rst ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 638, 639, 640, &end # # 73 ALA HN 73 ALA QB 3.53 221 &rst ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 920, 921, 922, &end # # 7 ALA HN 8 ALA HN 3.50 449 &rst ixpk= 0, nxpk= 0, iat= 70, 80, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 29 ALA HN 30 ALA HN 3.50 449 &rst ixpk= 0, nxpk= 0, iat= 352, 362, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 51 ALA HN 52 ALA HN 3.50 449 &rst ixpk= 0, nxpk= 0, iat= 634, 644, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 73 ALA HN 74 ALA HN 3.50 449 &rst ixpk= 0, nxpk= 0, iat= 916, 926, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 7 ALA HN 8 ALA QB 6.00 373 &rst ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 84, 85, 86, &end # # 29 ALA HN 30 ALA QB 6.00 373 &rst ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 366, 367, 368, &end # # 51 ALA HN 52 ALA QB 6.00 373 &rst ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 648, 649, 650, &end # # 73 ALA HN 74 ALA QB 6.00 373 &rst ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 930, 931, 932, &end # # 7 ALA HN 9 ILE QD1 8.00 373 &rst ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 103, 104, 105, &end # # 29 ALA HN 31 ILE QD1 8.00 373 &rst ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 385, 386, 387, &end # # 51 ALA HN 53 ILE QD1 8.00 373 &rst ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 667, 668, 669, &end # # 73 ALA HN 75 ILE QD1 8.00 373 &rst ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 949, 950, 951, &end # # 7 ALA HA 7 ALA QB 3.53 240 &rst ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 74, 75, 76, &end # # 29 ALA HA 29 ALA QB 3.53 240 &rst ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 356, 357, 358, &end # # 51 ALA HA 51 ALA QB 3.53 240 &rst ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 638, 639, 640, &end # # 73 ALA HA 73 ALA QB 3.53 240 &rst ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 920, 921, 922, &end # # 7 ALA HA 10 LYS HN 5.50 14 &rst ixpk= 0, nxpk= 0, iat= 72, 109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 29 ALA HA 32 LYS HN 5.50 14 &rst ixpk= 0, nxpk= 0, iat= 354, 391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 51 ALA HA 54 LYS HN 5.50 14 &rst ixpk= 0, nxpk= 0, iat= 636, 673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 73 ALA HA 76 LYS HN 5.50 14 &rst ixpk= 0, nxpk= 0, iat= 918, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 7 ALA HA 10 LYS QB 6.50 572 &rst ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 113, 114, &end # # 29 ALA HA 32 LYS QB 6.50 572 &rst ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 395, 396, &end # # 51 ALA HA 54 LYS QB 6.50 572 &rst ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 677, 678, &end # # 73 ALA HA 76 LYS QB 6.50 572 &rst ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 959, 960, &end # # 7 ALA HA 10 LYS QD 8.38 168 &rst ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88, igr2= 119, 120, &end # # 29 ALA HA 32 LYS QD 8.38 168 &rst ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88, igr2= 401, 402, &end # # 51 ALA HA 54 LYS QD 8.38 168 &rst ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88, igr2= 683, 684, &end # # 73 ALA HA 76 LYS QD 8.38 168 &rst ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88, igr2= 965, 966, &end # # 7 ALA QB 8 ALA HN 4.71 56 &rst ixpk= 0, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 74, 75, 76, &end # # 29 ALA QB 30 ALA HN 4.71 56 &rst ixpk= 0, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 356, 357, 358, &end # # 51 ALA QB 52 ALA HN 4.71 56 &rst ixpk= 0, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 638, 639, 640, &end # # 73 ALA QB 74 ALA HN 4.71 56 &rst ixpk= 0, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 920, 921, 922, &end # # 8 ALA HN 8 ALA HA 3.53 396 &rst ixpk= 0, nxpk= 0, iat= 80, 82, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 30 ALA HN 30 ALA HA 3.53 396 &rst ixpk= 0, nxpk= 0, iat= 362, 364, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 52 ALA HN 52 ALA HA 3.53 396 &rst ixpk= 0, nxpk= 0, iat= 644, 646, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 74 ALA HN 74 ALA HA 3.53 396 &rst ixpk= 0, nxpk= 0, iat= 926, 928, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 8 ALA HN 8 ALA QB 3.74 444 &rst ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2= 84, 85, 86, &end # # 30 ALA HN 30 ALA QB 3.74 444 &rst ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2= 366, 367, 368, &end # # 52 ALA HN 52 ALA QB 3.74 444 &rst ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2= 648, 649, 650, &end # # 74 ALA HN 74 ALA QB 3.74 444 &rst ixpk= 0, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2= 930, 931, 932, &end # # 8 ALA HN 9 ILE HN 3.58 447 &rst ixpk= 0, nxpk= 0, iat= 80, 90, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 30 ALA HN 31 ILE HN 3.58 447 &rst ixpk= 0, nxpk= 0, iat= 362, 372, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 52 ALA HN 53 ILE HN 3.58 447 &rst ixpk= 0, nxpk= 0, iat= 644, 654, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 74 ALA HN 75 ILE HN 3.58 447 &rst ixpk= 0, nxpk= 0, iat= 926, 936, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 8 ALA HN 9 ILE HA 7.50 498 &rst ixpk= 0, nxpk= 0, iat= 80, 92, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 30 ALA HN 31 ILE HA 7.50 498 &rst ixpk= 0, nxpk= 0, iat= 362, 374, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 52 ALA HN 53 ILE HA 7.50 498 &rst ixpk= 0, nxpk= 0, iat= 644, 656, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 74 ALA HN 75 ILE HA 7.50 498 &rst ixpk= 0, nxpk= 0, iat= 926, 938, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 8 ALA HN 9 ILE QD1 7.53 619 &rst ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 103, 104, 105, &end # # 30 ALA HN 31 ILE QD1 7.53 619 &rst ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 385, 386, 387, &end # # 52 ALA HN 53 ILE QD1 7.53 619 &rst ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 667, 668, 669, &end # # 74 ALA HN 75 ILE QD1 7.53 619 &rst ixpk= 0, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 949, 950, 951, &end # # 8 ALA HN 9 ILE QG2 7.28 446 &rst ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr2= 96, 97, 98, &end # # 30 ALA HN 31 ILE QG2 7.28 446 &rst ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr2= 378, 379, 380, &end # # 52 ALA HN 53 ILE QG2 7.28 446 &rst ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr2= 660, 661, 662, &end # # 74 ALA HN 75 ILE QG2 7.28 446 &rst ixpk= 0, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr2= 942, 943, 944, &end # # 8 ALA HN 10 LYS HN 7.50 474 &rst ixpk= 0, nxpk= 0, iat= 80, 109, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 30 ALA HN 32 LYS HN 7.50 474 &rst ixpk= 0, nxpk= 0, iat= 362, 391, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 52 ALA HN 54 LYS HN 7.50 474 &rst ixpk= 0, nxpk= 0, iat= 644, 673, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 74 ALA HN 76 LYS HN 7.50 474 &rst ixpk= 0, nxpk= 0, iat= 926, 955, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 8 ALA HN 12 ILE HN 7.50 470 &rst ixpk= 0, nxpk= 0, iat= 80, 141, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 30 ALA HN 34 ILE HN 7.50 470 &rst ixpk= 0, nxpk= 0, iat= 362, 423, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 52 ALA HN 56 ILE HN 7.50 470 &rst ixpk= 0, nxpk= 0, iat= 644, 705, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 74 ALA HN 78 ILE HN 7.50 470 &rst ixpk= 0, nxpk= 0, iat= 926, 987, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 8 ALA HN 37 ILE QG2 6.53 262 &rst ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 468, 469, 470, &end # # 30 ALA HN 15 ILE QG2 6.53 262 &rst ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 186, 187, 188, &end # # 52 ALA HN 81 ILE QG2 6.53 262 &rst ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2=1032,1033,1034, &end # # 74 ALA HN 59 ILE QG2 6.53 262 &rst ixpk= 0, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 750, 751, 752, &end # # 8 ALA HA 8 ALA QB 3.42 402 &rst ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2= 84, 85, 86, &end # # 30 ALA HA 30 ALA QB 3.42 402 &rst ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2= 366, 367, 368, &end # # 52 ALA HA 52 ALA QB 3.42 402 &rst ixpk= 0, nxpk= 0, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2= 648, 649, 650, &end # # 74 ALA HA 74 ALA QB 3.42 402 &rst ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2= 930, 931, 932, &end # # 8 ALA HA 9 ILE QD1 8.03 617 &rst ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 103, 104, 105, &end # # 30 ALA HA 31 ILE QD1 8.03 617 &rst ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 385, 386, 387, &end # # 52 ALA HA 53 ILE QD1 8.03 617 &rst ixpk= 0, nxpk= 0, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 667, 668, 669, &end # # 74 ALA HA 75 ILE QD1 8.03 617 &rst ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 949, 950, 951, &end # # 8 ALA HA 37 ILE QG2 6.50 565 &rst ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 468, 469, 470, &end # # 30 ALA HA 15 ILE QG2 6.50 565 &rst ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 186, 187, 188, &end # # 52 ALA HA 81 ILE QG2 6.50 565 &rst ixpk= 0, nxpk= 0, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2=1032,1033,1034, &end # # 74 ALA HA 59 ILE QG2 6.50 565 &rst ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 750, 751, 752, &end # # 8 ALA HA 12 ILE QD1 7.53 646 &rst ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 154, 155, 156, &end # # 30 ALA HA 34 ILE QD1 7.53 646 &rst ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 436, 437, 438, &end # # 52 ALA HA 56 ILE QD1 7.53 646 &rst ixpk= 0, nxpk= 0, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 718, 719, 720, &end # # 74 ALA HA 78 ILE QD1 7.53 646 &rst ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2=1000,1001,1002, &end # # 8 ALA QB 9 ILE HN 5.14 443 &rst ixpk= 0, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 84, 85, 86, &end # # 30 ALA QB 31 ILE HN 5.14 443 &rst ixpk= 0, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 366, 367, 368, &end # # 52 ALA QB 53 ILE HN 5.14 443 &rst ixpk= 0, nxpk= 0, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 648, 649, 650, &end # # 74 ALA QB 75 ILE HN 5.14 443 &rst ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 930, 931, 932, &end # # 8 ALA QB 9 ILE HA 7.03 630 &rst ixpk= 0, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 84, 85, 86, &end # # 30 ALA QB 31 ILE HA 7.03 630 &rst ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 366, 367, 368, &end # # 52 ALA QB 53 ILE HA 7.03 630 &rst ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 648, 649, 650, &end # # 74 ALA QB 75 ILE HA 7.03 630 &rst ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 930, 931, 932, &end # # 8 ALA QB 9 ILE HB 7.03 454 &rst ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 84, 85, 86, &end # # 30 ALA QB 31 ILE HB 7.03 454 &rst ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 366, 367, 368, &end # # 52 ALA QB 53 ILE HB 7.03 454 &rst ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 648, 649, 650, &end # # 74 ALA QB 75 ILE HB 7.03 454 &rst ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 930, 931, 932, &end # # 8 ALA QB 9 ILE QD1 6.50 364 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 84, 85, 86, igr2= 103, 104, 105, &end # # 30 ALA QB 31 ILE QD1 6.50 364 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 366, 367, 368, igr2= 385, 386, 387, &end # # 52 ALA QB 53 ILE QD1 6.50 364 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 648, 649, 650, igr2= 667, 668, 669, &end # # 74 ALA QB 75 ILE QD1 6.50 364 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 930, 931, 932, igr2= 949, 950, 951, &end # # 8 ALA QB 37 ILE QG2 5.53 581 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 84, 85, 86, igr2= 468, 469, 470, &end # # 30 ALA QB 15 ILE QG2 5.53 581 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 366, 367, 368, igr2= 186, 187, 188, &end # # 52 ALA QB 81 ILE QG2 5.53 581 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 648, 649, 650, igr2=1032,1033,1034, &end # # 74 ALA QB 59 ILE QG2 5.53 581 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 930, 931, 932, igr2= 750, 751, 752, &end # # 8 ALA QB 10 LYS HN 7.03 394 &rst ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 84, 85, 86, &end # # 30 ALA QB 32 LYS HN 7.03 394 &rst ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 366, 367, 368, &end # # 52 ALA QB 54 LYS HN 7.03 394 &rst ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 648, 649, 650, &end # # 74 ALA QB 76 LYS HN 7.03 394 &rst ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 930, 931, 932, &end # # 8 ALA QB 11 ALA QB 7.56 645 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 84, 85, 86, igr2= 135, 136, 137, &end # # 30 ALA QB 33 ALA QB 7.56 645 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 366, 367, 368, igr2= 417, 418, 419, &end # # 52 ALA QB 55 ALA QB 7.56 645 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 648, 649, 650, igr2= 699, 700, 701, &end # # 74 ALA QB 77 ALA QB 7.56 645 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 930, 931, 932, igr2= 981, 982, 983, &end # # 8 ALA QB 12 ILE HA 8.03 555 &rst ixpk= 0, nxpk= 0, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 84, 85, 86, &end # # 30 ALA QB 34 ILE HA 8.03 555 &rst ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 366, 367, 368, &end # # 52 ALA QB 56 ILE HA 8.03 555 &rst ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 648, 649, 650, &end # # 74 ALA QB 78 ILE HA 8.03 555 &rst ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 930, 931, 932, &end # # 8 ALA QB 12 ILE HN 7.06 599 &rst ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 84, 85, 86, &end # # 30 ALA QB 34 ILE HN 7.06 599 &rst ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 366, 367, 368, &end # # 52 ALA QB 56 ILE HN 7.06 599 &rst ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 648, 649, 650, &end # # 74 ALA QB 78 ILE HN 7.06 599 &rst ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 930, 931, 932, &end # # 8 ALA QB 12 ILE QD1 7.56 599 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 84, 85, 86, igr2= 154, 155, 156, &end # # 30 ALA QB 34 ILE QD1 7.56 599 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 366, 367, 368, igr2= 436, 437, 438, &end # # 52 ALA QB 56 ILE QD1 7.56 599 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 648, 649, 650, igr2= 718, 719, 720, &end # # 74 ALA QB 78 ILE QD1 7.56 599 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 930, 931, 932, igr2=1000,1001,1002, &end # # 8 ALA QB 34 ILE QD1 7.56 599 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 84, 85, 86, igr2= 436, 437, 438, &end # # 30 ALA QB 12 ILE QD1 7.56 599 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 366, 367, 368, igr2= 154, 155, 156, &end # # 52 ALA QB 78 ILE QD1 7.56 599 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 648, 649, 650, igr2=1000,1001,1002, &end # # 74 ALA QB 56 ILE QD1 7.56 599 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 930, 931, 932, igr2= 718, 719, 720, &end # # 8 ALA QB 37 ILE HN 7.53 174 &rst ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 84, 85, 86, &end # # 30 ALA QB 15 ILE HN 7.53 174 &rst ixpk= 0, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 366, 367, 368, &end # # 52 ALA QB 81 ILE HN 7.53 174 &rst ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 648, 649, 650, &end # # 74 ALA QB 59 ILE HN 7.53 174 &rst ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 930, 931, 932, &end # # 8 ALA QB 43 HIS HD2 6.53 516 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 84, 85, 86, &end # # 30 ALA QB 21 HIS HD2 6.53 516 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 366, 367, 368, &end # # 52 ALA QB 87 HIS HD2 6.53 516 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 648, 649, 650, &end # # 74 ALA QB 65 HIS HD2 6.53 516 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 930, 931, 932, &end # # 8 ALA QB 43 HIS HE1 6.00 4 &rst ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 84, 85, 86, &end # # 30 ALA QB 21 HIS HE1 6.00 4 &rst ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 366, 367, 368, &end # # 52 ALA QB 87 HIS HE1 6.00 4 &rst ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 648, 649, 650, &end # # 74 ALA QB 65 HIS HE1 6.00 4 &rst ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 930, 931, 932, &end # # 9 ILE HN 9 ILE HA 3.54 346 &rst ixpk= 0, nxpk= 0, iat= 90, 92, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 31 ILE HN 31 ILE HA 3.54 346 &rst ixpk= 0, nxpk= 0, iat= 372, 374, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 53 ILE HN 53 ILE HA 3.54 346 &rst ixpk= 0, nxpk= 0, iat= 654, 656, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 75 ILE HN 75 ILE HA 3.54 346 &rst ixpk= 0, nxpk= 0, iat= 936, 938, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 9 ILE HN 9 ILE HB 3.50 347 &rst ixpk= 0, nxpk= 0, iat= 90, 94, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 31 ILE HN 31 ILE HB 3.50 347 &rst ixpk= 0, nxpk= 0, iat= 372, 376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 53 ILE HN 53 ILE HB 3.50 347 &rst ixpk= 0, nxpk= 0, iat= 654, 658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 75 ILE HN 75 ILE HB 3.50 347 &rst ixpk= 0, nxpk= 0, iat= 936, 940, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 9 ILE HN 9 ILE QD1 5.06 351 &rst ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2= 103, 104, 105, &end # # 31 ILE HN 31 ILE QD1 5.06 351 &rst ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2= 385, 386, 387, &end # # 53 ILE HN 53 ILE QD1 5.06 351 &rst ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2= 667, 668, 669, &end # # 75 ILE HN 75 ILE QD1 5.06 351 &rst ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2= 949, 950, 951, &end # # 9 ILE HN 9 ILE QG1 4.65 345 &rst ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 100, 101, &end # # 31 ILE HN 31 ILE QG1 4.65 345 &rst ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 382, 383, &end # # 53 ILE HN 53 ILE QG1 4.65 345 &rst ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 664, 665, &end # # 75 ILE HN 75 ILE QG1 4.65 345 &rst ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 946, 947, &end # # 9 ILE HN 9 ILE QG2 5.07 344 &rst ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 96, 97, 98, &end # # 31 ILE HN 31 ILE QG2 5.07 344 &rst ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 378, 379, 380, &end # # 53 ILE HN 53 ILE QG2 5.07 344 &rst ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 660, 661, 662, &end # # 75 ILE HN 75 ILE QG2 5.07 344 &rst ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 942, 943, 944, &end # # 9 ILE HN 10 LYS HN 3.50 441 &rst ixpk= 0, nxpk= 0, iat= 90, 109, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 31 ILE HN 32 LYS HN 3.50 441 &rst ixpk= 0, nxpk= 0, iat= 372, 391, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 53 ILE HN 54 LYS HN 3.50 441 &rst ixpk= 0, nxpk= 0, iat= 654, 673, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 75 ILE HN 76 LYS HN 3.50 441 &rst ixpk= 0, nxpk= 0, iat= 936, 955, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 9 ILE HA 9 ILE HB 4.00 356 &rst ixpk= 0, nxpk= 0, iat= 92, 94, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 31 ILE HA 31 ILE HB 4.00 356 &rst ixpk= 0, nxpk= 0, iat= 374, 376, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 53 ILE HA 53 ILE HB 4.00 356 &rst ixpk= 0, nxpk= 0, iat= 656, 658, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 75 ILE HA 75 ILE HB 4.00 356 &rst ixpk= 0, nxpk= 0, iat= 938, 940, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 9 ILE HA 9 ILE QD1 5.57 352 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 103, 104, 105, &end # # 31 ILE HA 31 ILE QD1 5.57 352 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 385, 386, 387, &end # # 53 ILE HA 53 ILE QD1 5.57 352 &rst ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 667, 668, 669, &end # # 75 ILE HA 75 ILE QD1 5.57 352 &rst ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 949, 950, 951, &end # # 9 ILE HA 9 ILE QG1 4.44 133 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2= 100, 101, &end # # 31 ILE HA 31 ILE QG1 4.44 133 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2= 382, 383, &end # # 53 ILE HA 53 ILE QG1 4.44 133 &rst ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2= 664, 665, &end # # 75 ILE HA 75 ILE QG1 4.44 133 &rst ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2= 946, 947, &end # # 9 ILE HA 9 ILE QG2 4.50 353 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 96, 97, 98, &end # # 31 ILE HA 31 ILE QG2 4.50 353 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 378, 379, 380, &end # # 53 ILE HA 53 ILE QG2 4.50 353 &rst ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 660, 661, 662, &end # # 75 ILE HA 75 ILE QG2 4.50 353 &rst ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 942, 943, 944, &end # # 9 ILE HA 10 LYS HN 3.49 42 &rst ixpk= 0, nxpk= 0, iat= 92, 109, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 31 ILE HA 32 LYS HN 3.49 42 &rst ixpk= 0, nxpk= 0, iat= 374, 391, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 53 ILE HA 54 LYS HN 3.49 42 &rst ixpk= 0, nxpk= 0, iat= 656, 673, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 75 ILE HA 76 LYS HN 3.49 42 &rst ixpk= 0, nxpk= 0, iat= 938, 955, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 9 ILE HA 11 ALA HN 7.00 41 &rst ixpk= 0, nxpk= 0, iat= 92, 131, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 31 ILE HA 33 ALA HN 7.00 41 &rst ixpk= 0, nxpk= 0, iat= 374, 413, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 53 ILE HA 55 ALA HN 7.00 41 &rst ixpk= 0, nxpk= 0, iat= 656, 695, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 75 ILE HA 77 ALA HN 7.00 41 &rst ixpk= 0, nxpk= 0, iat= 938, 977, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 9 ILE HA 11 ALA QB 7.53 586 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 135, 136, 137, &end # # 31 ILE HA 33 ALA QB 7.53 586 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 417, 418, 419, &end # # 53 ILE HA 55 ALA QB 7.53 586 &rst ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 699, 700, 701, &end # # 75 ILE HA 77 ALA QB 7.53 586 &rst ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 981, 982, 983, &end # # 9 ILE HA 12 ILE HN 5.50 39 &rst ixpk= 0, nxpk= 0, iat= 92, 141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 31 ILE HA 34 ILE HN 5.50 39 &rst ixpk= 0, nxpk= 0, iat= 374, 423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 53 ILE HA 56 ILE HN 5.50 39 &rst ixpk= 0, nxpk= 0, iat= 656, 705, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 75 ILE HA 78 ILE HN 5.50 39 &rst ixpk= 0, nxpk= 0, iat= 938, 987, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 9 ILE HA 12 ILE HB 6.50 585 &rst ixpk= 0, nxpk= 0, iat= 92, 145, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 31 ILE HA 34 ILE HB 6.50 585 &rst ixpk= 0, nxpk= 0, iat= 374, 427, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 53 ILE HA 56 ILE HB 6.50 585 &rst ixpk= 0, nxpk= 0, iat= 656, 709, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 75 ILE HA 78 ILE HB 6.50 585 &rst ixpk= 0, nxpk= 0, iat= 938, 991, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 9 ILE HA 12 ILE QD1 4.03 562 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 154, 155, 156, &end # # 31 ILE HA 34 ILE QD1 4.03 562 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 436, 437, 438, &end # # 53 ILE HA 56 ILE QD1 4.03 562 &rst ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 718, 719, 720, &end # # 75 ILE HA 78 ILE QD1 4.03 562 &rst ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2=1000,1001,1002, &end # # 9 ILE HA 12 ILE QG2 6.50 563 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 147, 148, 149, &end # # 31 ILE HA 34 ILE QG2 6.50 563 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 429, 430, 431, &end # # 53 ILE HA 56 ILE QG2 6.50 563 &rst ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 711, 712, 713, &end # # 75 ILE HA 78 ILE QG2 6.50 563 &rst ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 993, 994, 995, &end # # 9 ILE HA 34 ILE QG2 6.50 563 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 429, 430, 431, &end # # 31 ILE HA 12 ILE QG2 6.50 563 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 147, 148, 149, &end # # 53 ILE HA 78 ILE QG2 6.50 563 &rst ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 993, 994, 995, &end # # 75 ILE HA 56 ILE QG2 6.50 563 &rst ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 711, 712, 713, &end # # 9 ILE HA 12 ILE QG1 6.53 632 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 151, 152, &end # # 31 ILE HA 34 ILE QG1 6.53 632 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 433, 434, &end # # 53 ILE HA 56 ILE QG1 6.53 632 &rst ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 715, 716, &end # # 75 ILE HA 78 ILE QG1 6.53 632 &rst ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 997, 998, &end # # 9 ILE HA 13 ALA HN 5.00 52 &rst ixpk= 0, nxpk= 0, iat= 92, 160, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 31 ILE HA 35 ALA HN 5.00 52 &rst ixpk= 0, nxpk= 0, iat= 374, 442, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 53 ILE HA 57 ALA HN 5.00 52 &rst ixpk= 0, nxpk= 0, iat= 656, 724, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 75 ILE HA 79 ALA HN 5.00 52 &rst ixpk= 0, nxpk= 0, iat= 938,1006, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 9 ILE HA 13 ALA QB 7.53 643 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 164, 165, 166, &end # # 31 ILE HA 35 ALA QB 7.53 643 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 446, 447, 448, &end # # 53 ILE HA 57 ALA QB 7.53 643 &rst ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 728, 729, 730, &end # # 75 ILE HA 79 ALA QB 7.53 643 &rst ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2=1010,1011,1012, &end # # 9 ILE HB 9 ILE QD1 4.69 369 &rst ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2= 103, 104, 105, &end # # 31 ILE HB 31 ILE QD1 4.69 369 &rst ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2= 385, 386, 387, &end # # 53 ILE HB 53 ILE QD1 4.69 369 &rst ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2= 667, 668, 669, &end # # 75 ILE HB 75 ILE QD1 4.69 369 &rst ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2= 949, 950, 951, &end # # 9 ILE HB 9 ILE QG1 3.50 361 &rst ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 100, 101, &end # # 31 ILE HB 31 ILE QG1 3.50 361 &rst ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 382, 383, &end # # 53 ILE HB 53 ILE QG1 3.50 361 &rst ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 664, 665, &end # # 75 ILE HB 75 ILE QG1 3.50 361 &rst ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 946, 947, &end # # 9 ILE HB 9 ILE QG2 3.58 360 &rst ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 96, 97, 98, &end # # 31 ILE HB 31 ILE QG2 3.58 360 &rst ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 378, 379, 380, &end # # 53 ILE HB 53 ILE QG2 3.58 360 &rst ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 660, 661, 662, &end # # 75 ILE HB 75 ILE QG2 3.58 360 &rst ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 942, 943, 944, &end # # 9 ILE HB 10 LYS HN 4.50 412 &rst ixpk= 0, nxpk= 0, iat= 94, 109, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 31 ILE HB 32 LYS HN 4.50 412 &rst ixpk= 0, nxpk= 0, iat= 376, 391, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 53 ILE HB 54 LYS HN 4.50 412 &rst ixpk= 0, nxpk= 0, iat= 658, 673, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 75 ILE HB 76 LYS HN 4.50 412 &rst ixpk= 0, nxpk= 0, iat= 940, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 9 ILE QD1 9 ILE QG1 3.53 368 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 103, 104, 105, igr2= 100, 101, &end # # 31 ILE QD1 31 ILE QG1 3.53 368 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 385, 386, 387, igr2= 382, 383, &end # # 53 ILE QD1 53 ILE QG1 3.53 368 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 667, 668, 669, igr2= 664, 665, &end # # 75 ILE QD1 75 ILE QG1 3.53 368 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 949, 950, 951, igr2= 946, 947, &end # # 9 ILE QD1 9 ILE QG2 5.56 366 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 103, 104, 105, igr2= 96, 97, 98, &end # # 31 ILE QD1 31 ILE QG2 5.56 366 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 385, 386, 387, igr2= 378, 379, 380, &end # # 53 ILE QD1 53 ILE QG2 5.56 366 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 667, 668, 669, igr2= 660, 661, 662, &end # # 75 ILE QD1 75 ILE QG2 5.56 366 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 949, 950, 951, igr2= 942, 943, 944, &end # # 9 ILE QD1 10 LYS HN 7.29 432 &rst ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79, igr1= 103, 104, 105, &end # # 31 ILE QD1 32 LYS HN 7.29 432 &rst ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79, igr1= 385, 386, 387, &end # # 53 ILE QD1 54 LYS HN 7.29 432 &rst ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79, igr1= 667, 668, 669, &end # # 75 ILE QD1 76 LYS HN 7.29 432 &rst ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79, igr1= 949, 950, 951, &end # # 9 ILE QD1 11 ALA HN 8.03 419 &rst ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 103, 104, 105, &end # # 31 ILE QD1 33 ALA HN 8.03 419 &rst ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 385, 386, 387, &end # # 53 ILE QD1 55 ALA HN 8.03 419 &rst ixpk= 0, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 667, 668, 669, &end # # 75 ILE QD1 77 ALA HN 8.03 419 &rst ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 949, 950, 951, &end # # 9 ILE QD1 12 ILE HN 7.53 75 &rst ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 103, 104, 105, &end # # 31 ILE QD1 34 ILE HN 7.53 75 &rst ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 385, 386, 387, &end # # 53 ILE QD1 56 ILE HN 7.53 75 &rst ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 667, 668, 669, &end # # 75 ILE QD1 78 ILE HN 7.53 75 &rst ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 949, 950, 951, &end # # 9 ILE QD1 12 ILE HB 7.41 623 &rst ixpk= 0, nxpk= 0, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 103, 104, 105, &end # # 31 ILE QD1 34 ILE HB 7.41 623 &rst ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 385, 386, 387, &end # # 53 ILE QD1 56 ILE HB 7.41 623 &rst ixpk= 0, nxpk= 0, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 667, 668, 669, &end # # 75 ILE QD1 78 ILE HB 7.41 623 &rst ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 949, 950, 951, &end # # 9 ILE QD1 12 ILE QD1 6.06 614 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1= 103, 104, 105, igr2= 154, 155, 156, &end # # 31 ILE QD1 34 ILE QD1 6.06 614 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1= 385, 386, 387, igr2= 436, 437, 438, &end # # 53 ILE QD1 56 ILE QD1 6.06 614 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1= 667, 668, 669, igr2= 718, 719, 720, &end # # 75 ILE QD1 78 ILE QD1 6.06 614 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1= 949, 950, 951, igr2=1000,1001,1002, &end # # 9 ILE QD1 34 ILE QD1 7.06 614 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 103, 104, 105, igr2= 436, 437, 438, &end # # 31 ILE QD1 12 ILE QD1 7.06 614 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 385, 386, 387, igr2= 154, 155, 156, &end # # 53 ILE QD1 78 ILE QD1 7.06 614 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 667, 668, 669, igr2=1000,1001,1002, &end # # 75 ILE QD1 56 ILE QD1 7.06 614 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 949, 950, 951, igr2= 718, 719, 720, &end # # 9 ILE QD1 12 ILE QG1 6.53 615 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 103, 104, 105, igr2= 151, 152, &end # # 31 ILE QD1 34 ILE QG1 6.53 615 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 385, 386, 387, igr2= 433, 434, &end # # 53 ILE QD1 56 ILE QG1 6.53 615 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 667, 668, 669, igr2= 715, 716, &end # # 75 ILE QD1 78 ILE QG1 6.53 615 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 949, 950, 951, igr2= 997, 998, &end # # 9 ILE QD1 13 ALA HN 7.03 74 &rst ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 103, 104, 105, &end # # 31 ILE QD1 35 ALA HN 7.03 74 &rst ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 385, 386, 387, &end # # 53 ILE QD1 57 ALA HN 7.03 74 &rst ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 667, 668, 669, &end # # 75 ILE QD1 79 ALA HN 7.03 74 &rst ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 949, 950, 951, &end # # 9 ILE QD1 38 ILE HA 9.93 634 &rst ixpk= 0, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43, igr1= 103, 104, 105, &end # # 31 ILE QD1 16 ILE HA 9.93 634 &rst ixpk= 0, nxpk= 0, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43, igr1= 385, 386, 387, &end # # 53 ILE QD1 82 ILE HA 9.93 634 &rst ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43, igr1= 667, 668, 669, &end # # 75 ILE QD1 60 ILE HA 9.93 634 &rst ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43, igr1= 949, 950, 951, &end # # 9 ILE QD1 82 ILE HA 9.33 634 &rst ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 9.33, r4= 9.83, igr1= 103, 104, 105, &end # # 31 ILE QD1 60 ILE HA 9.33 634 &rst ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 9.33, r4= 9.83, igr1= 385, 386, 387, &end # # 53 ILE QD1 38 ILE HA 9.33 634 &rst ixpk= 0, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 9.33, r4= 9.83, igr1= 667, 668, 669, &end # # 75 ILE QD1 16 ILE HA 9.33 634 &rst ixpk= 0, nxpk= 0, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 9.33, r4= 9.83, igr1= 949, 950, 951, &end # # 9 ILE QD1 16 ILE QD1 9.06 616 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 103, 104, 105, igr2= 212, 213, 214, &end # # 31 ILE QD1 38 ILE QD1 9.06 616 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 385, 386, 387, igr2= 494, 495, 496, &end # # 53 ILE QD1 60 ILE QD1 9.06 616 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 667, 668, 669, igr2= 776, 777, 778, &end # # 75 ILE QD1 82 ILE QD1 9.06 616 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 949, 950, 951, igr2=1058,1059,1060, &end # # 9 ILE QD1 87 HIS HN 7.03 419 &rst ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 103, 104, 105, &end # # 31 ILE QD1 65 HIS HN 7.03 419 &rst ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 385, 386, 387, &end # # 53 ILE QD1 43 HIS HN 7.03 419 &rst ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 667, 668, 669, &end # # 75 ILE QD1 21 HIS HN 7.03 419 &rst ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 949, 950, 951, &end # # 9 ILE QD1 87 HIS HD2 7.03 548 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 103, 104, 105, &end # # 31 ILE QD1 65 HIS HD2 7.03 548 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 385, 386, 387, &end # # 53 ILE QD1 43 HIS HD2 7.03 548 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 667, 668, 669, &end # # 75 ILE QD1 21 HIS HD2 7.03 548 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 949, 950, 951, &end # # 9 ILE QD1 87 HIS HE1 6.00 4 &rst ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 103, 104, 105, &end # # 31 ILE QD1 65 HIS HE1 6.00 4 &rst ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 385, 386, 387, &end # # 53 ILE QD1 43 HIS HE1 6.00 4 &rst ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 667, 668, 669, &end # # 75 ILE QD1 21 HIS HE1 6.00 4 &rst ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 949, 950, 951, &end # # 9 ILE HG12 9 ILE HG13 3.65 582 &rst ixpk= 0, nxpk= 0, iat= 100, 101, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 31 ILE HG12 31 ILE HG13 3.65 582 &rst ixpk= 0, nxpk= 0, iat= 382, 383, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 53 ILE HG12 53 ILE HG13 3.65 582 &rst ixpk= 0, nxpk= 0, iat= 664, 665, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 75 ILE HG12 75 ILE HG13 3.65 582 &rst ixpk= 0, nxpk= 0, iat= 946, 947, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 9 ILE QG1 9 ILE QG2 4.55 365 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1= 100, 101, igr2= 96, 97, 98, &end # # 31 ILE QG1 31 ILE QG2 4.55 365 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1= 382, 383, igr2= 378, 379, 380, &end # # 53 ILE QG1 53 ILE QG2 4.55 365 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1= 664, 665, igr2= 660, 661, 662, &end # # 75 ILE QG1 75 ILE QG2 4.55 365 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1= 946, 947, igr2= 942, 943, 944, &end # # 9 ILE QG1 10 LYS HN 6.30 429 &rst ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 100, 101, &end # # 31 ILE QG1 32 LYS HN 6.30 429 &rst ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 382, 383, &end # # 53 ILE QG1 54 LYS HN 6.30 429 &rst ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 664, 665, &end # # 75 ILE QG1 76 LYS HN 6.30 429 &rst ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 946, 947, &end # # 9 ILE QG1 87 HIS QB 7.50 636 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 100, 101, igr2=1114,1115, &end # # 31 ILE QG1 65 HIS QB 7.50 636 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 382, 383, igr2= 832, 833, &end # # 53 ILE QG1 43 HIS QB 7.50 636 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 664, 665, igr2= 550, 551, &end # # 75 ILE QG1 21 HIS QB 7.50 636 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 946, 947, igr2= 268, 269, &end # # 9 ILE QG1 87 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 100, 101, &end # # 31 ILE QG1 65 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 382, 383, &end # # 53 ILE QG1 43 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 664, 665, &end # # 75 ILE QG1 21 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 946, 947, &end # # 9 ILE QG2 10 LYS HN 6.53 431 &rst ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 96, 97, 98, &end # # 31 ILE QG2 32 LYS HN 6.53 431 &rst ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 378, 379, 380, &end # # 53 ILE QG2 54 LYS HN 6.53 431 &rst ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 660, 661, 662, &end # # 75 ILE QG2 76 LYS HN 6.53 431 &rst ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 942, 943, 944, &end # # 9 ILE QG2 10 LYS HA 7.53 419 &rst ixpk= 0, nxpk= 0, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 96, 97, 98, &end # # 31 ILE QG2 32 LYS HA 7.53 419 &rst ixpk= 0, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 378, 379, 380, &end # # 53 ILE QG2 54 LYS HA 7.53 419 &rst ixpk= 0, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 660, 661, 662, &end # # 75 ILE QG2 76 LYS HA 7.53 419 &rst ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 942, 943, 944, &end # # 9 ILE QG2 13 ALA QB 8.06 114 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56, igr1= 96, 97, 98, igr2= 164, 165, 166, &end # # 31 ILE QG2 35 ALA QB 8.06 114 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56, igr1= 378, 379, 380, igr2= 446, 447, 448, &end # # 53 ILE QG2 57 ALA QB 8.06 114 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56, igr1= 660, 661, 662, igr2= 728, 729, 730, &end # # 75 ILE QG2 79 ALA QB 8.06 114 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56, igr1= 942, 943, 944, igr2=1010,1011,1012, &end # # 9 ILE QG2 87 HIS QB 6.03 603 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 96, 97, 98, igr2=1114,1115, &end # # 31 ILE QG2 65 HIS QB 6.03 603 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 378, 379, 380, igr2= 832, 833, &end # # 53 ILE QG2 43 HIS QB 6.03 603 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 660, 661, 662, igr2= 550, 551, &end # # 75 ILE QG2 21 HIS QB 6.03 603 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 942, 943, 944, igr2= 268, 269, &end # # 9 ILE QG2 87 HIS HD2 7.53 513 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 96, 97, 98, &end # # 31 ILE QG2 65 HIS HD2 7.53 513 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 378, 379, 380, &end # # 53 ILE QG2 43 HIS HD2 7.53 513 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 660, 661, 662, &end # # 75 ILE QG2 21 HIS HD2 7.53 513 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 942, 943, 944, &end # # 9 ILE QG2 87 HIS HE1 7.00 4 &rst ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 96, 97, 98, &end # # 31 ILE QG2 65 HIS HE1 7.00 4 &rst ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 378, 379, 380, &end # # 53 ILE QG2 43 HIS HE1 7.00 4 &rst ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 660, 661, 662, &end # # 75 ILE QG2 21 HIS HE1 7.00 4 &rst ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 942, 943, 944, &end # # 10 LYS HN 10 LYS HA 3.55 420 &rst ixpk= 0, nxpk= 0, iat= 109, 111, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 32 LYS HN 32 LYS HA 3.55 420 &rst ixpk= 0, nxpk= 0, iat= 391, 393, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 54 LYS HN 54 LYS HA 3.55 420 &rst ixpk= 0, nxpk= 0, iat= 673, 675, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 76 LYS HN 76 LYS HA 3.55 420 &rst ixpk= 0, nxpk= 0, iat= 955, 957, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 10 LYS HN 10 LYS QB 4.00 427 &rst ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 113, 114, &end # # 32 LYS HN 32 LYS QB 4.00 427 &rst ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 395, 396, &end # # 54 LYS HN 54 LYS QB 4.00 427 &rst ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 677, 678, &end # # 76 LYS HN 76 LYS QB 4.00 427 &rst ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 959, 960, &end # # 10 LYS HN 10 LYS QD 6.50 425 &rst ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 119, 120, &end # # 32 LYS HN 32 LYS QD 6.50 425 &rst ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 401, 402, &end # # 54 LYS HN 54 LYS QD 6.50 425 &rst ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 683, 684, &end # # 76 LYS HN 76 LYS QD 6.50 425 &rst ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 965, 966, &end # # 10 LYS HN 10 LYS QE 7.50 408 &rst ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 122, 123, &end # # 32 LYS HN 32 LYS QE 7.50 408 &rst ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 404, 405, &end # # 54 LYS HN 54 LYS QE 7.50 408 &rst ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 686, 687, &end # # 76 LYS HN 76 LYS QE 7.50 408 &rst ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 968, 969, &end # # 10 LYS HN 11 ALA HN 4.00 473 &rst ixpk= 0, nxpk= 0, iat= 109, 131, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 32 LYS HN 33 ALA HN 4.00 473 &rst ixpk= 0, nxpk= 0, iat= 391, 413, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 54 LYS HN 55 ALA HN 4.00 473 &rst ixpk= 0, nxpk= 0, iat= 673, 695, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 76 LYS HN 77 ALA HN 4.00 473 &rst ixpk= 0, nxpk= 0, iat= 955, 977, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 10 LYS HN 11 ALA QB 6.53 428 &rst ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 135, 136, 137, &end # # 32 LYS HN 33 ALA QB 6.53 428 &rst ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 417, 418, 419, &end # # 54 LYS HN 55 ALA QB 6.53 428 &rst ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 699, 700, 701, &end # # 76 LYS HN 77 ALA QB 6.53 428 &rst ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 981, 982, 983, &end # # 10 LYS HN 12 ILE HN 6.00 440 &rst ixpk= 0, nxpk= 0, iat= 109, 141, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 32 LYS HN 34 ILE HN 6.00 440 &rst ixpk= 0, nxpk= 0, iat= 391, 423, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 54 LYS HN 56 ILE HN 6.00 440 &rst ixpk= 0, nxpk= 0, iat= 673, 705, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 76 LYS HN 78 ILE HN 6.00 440 &rst ixpk= 0, nxpk= 0, iat= 955, 987, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 10 LYS HN 13 ALA HN 6.50 462 &rst ixpk= 0, nxpk= 0, iat= 109, 160, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 32 LYS HN 35 ALA HN 6.50 462 &rst ixpk= 0, nxpk= 0, iat= 391, 442, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 54 LYS HN 57 ALA HN 6.50 462 &rst ixpk= 0, nxpk= 0, iat= 673, 724, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 76 LYS HN 79 ALA HN 6.50 462 &rst ixpk= 0, nxpk= 0, iat= 955,1006, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 10 LYS HN 13 ALA QB 7.03 393 &rst ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 164, 165, 166, &end # # 32 LYS HN 35 ALA QB 7.03 393 &rst ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 446, 447, 448, &end # # 54 LYS HN 57 ALA QB 7.03 393 &rst ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 728, 729, 730, &end # # 76 LYS HN 79 ALA QB 7.03 393 &rst ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2=1010,1011,1012, &end # # 10 LYS HA 10 LYS QB 3.55 434 &rst ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 113, 114, &end # # 32 LYS HA 32 LYS QB 3.55 434 &rst ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 395, 396, &end # # 54 LYS HA 54 LYS QB 3.55 434 &rst ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 677, 678, &end # # 76 LYS HA 76 LYS QB 3.55 434 &rst ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 959, 960, &end # # 10 LYS HA 10 LYS QG 4.73 417 &rst ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 116, 117, &end # # 32 LYS HA 32 LYS QG 4.73 417 &rst ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 398, 399, &end # # 54 LYS HA 54 LYS QG 4.73 417 &rst ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 680, 681, &end # # 76 LYS HA 76 LYS QG 4.73 417 &rst ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 962, 963, &end # # 10 LYS HA 10 LYS QD 6.38 416 &rst ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2= 119, 120, &end # # 32 LYS HA 32 LYS QD 6.38 416 &rst ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2= 401, 402, &end # # 54 LYS HA 54 LYS QD 6.38 416 &rst ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2= 683, 684, &end # # 76 LYS HA 76 LYS QD 6.38 416 &rst ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2= 965, 966, &end # # 10 LYS HA 11 ALA HN 5.00 19 &rst ixpk= 0, nxpk= 0, iat= 111, 131, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 32 LYS HA 33 ALA HN 5.00 19 &rst ixpk= 0, nxpk= 0, iat= 393, 413, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 54 LYS HA 55 ALA HN 5.00 19 &rst ixpk= 0, nxpk= 0, iat= 675, 695, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 76 LYS HA 77 ALA HN 5.00 19 &rst ixpk= 0, nxpk= 0, iat= 957, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 10 LYS HA 12 ILE HN 7.50 18 &rst ixpk= 0, nxpk= 0, iat= 111, 141, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 32 LYS HA 34 ILE HN 7.50 18 &rst ixpk= 0, nxpk= 0, iat= 393, 423, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 54 LYS HA 56 ILE HN 7.50 18 &rst ixpk= 0, nxpk= 0, iat= 675, 705, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 76 LYS HA 78 ILE HN 7.50 18 &rst ixpk= 0, nxpk= 0, iat= 957, 987, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 10 LYS HA 13 ALA HN 4.60 486 &rst ixpk= 0, nxpk= 0, iat= 111, 160, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 32 LYS HA 35 ALA HN 4.60 486 &rst ixpk= 0, nxpk= 0, iat= 393, 442, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 54 LYS HA 57 ALA HN 4.60 486 &rst ixpk= 0, nxpk= 0, iat= 675, 724, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 76 LYS HA 79 ALA HN 4.60 486 &rst ixpk= 0, nxpk= 0, iat= 957,1006, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 10 LYS HA 13 ALA QB 5.04 418 &rst ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2= 164, 165, 166, &end # # 32 LYS HA 35 ALA QB 5.04 418 &rst ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2= 446, 447, 448, &end # # 54 LYS HA 57 ALA QB 5.04 418 &rst ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2= 728, 729, 730, &end # # 76 LYS HA 79 ALA QB 5.04 418 &rst ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=1010,1011,1012, &end # # 10 LYS HA 14 ALA HN 6.50 20 &rst ixpk= 0, nxpk= 0, iat= 111, 170, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 32 LYS HA 36 ALA HN 6.50 20 &rst ixpk= 0, nxpk= 0, iat= 393, 452, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 54 LYS HA 58 ALA HN 6.50 20 &rst ixpk= 0, nxpk= 0, iat= 675, 734, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 76 LYS HA 80 ALA HN 6.50 20 &rst ixpk= 0, nxpk= 0, iat= 957,1016, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 10 LYS QB 10 LYS QE 6.50 326 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 113, 114, igr2= 122, 123, &end # # 32 LYS QB 32 LYS QE 6.50 326 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 395, 396, igr2= 404, 405, &end # # 54 LYS QB 54 LYS QE 6.50 326 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 677, 678, igr2= 686, 687, &end # # 76 LYS QB 76 LYS QE 6.50 326 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 959, 960, igr2= 968, 969, &end # # 10 LYS HB2 11 ALA HN 4.10 410 &rst ixpk= 0, nxpk= 0, iat= 113, 131, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 32 LYS HB2 33 ALA HN 4.10 410 &rst ixpk= 0, nxpk= 0, iat= 395, 413, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 54 LYS HB2 55 ALA HN 4.10 410 &rst ixpk= 0, nxpk= 0, iat= 677, 695, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 76 LYS HB2 77 ALA HN 4.10 410 &rst ixpk= 0, nxpk= 0, iat= 959, 977, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 10 LYS QG 10 LYS QE 4.25 436 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 116, 117, igr2= 122, 123, &end # # 32 LYS QG 32 LYS QE 4.25 436 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 398, 399, igr2= 404, 405, &end # # 54 LYS QG 54 LYS QE 4.25 436 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 680, 681, igr2= 686, 687, &end # # 76 LYS QG 76 LYS QE 4.25 436 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 962, 963, igr2= 968, 969, &end # # 10 LYS QD 10 LYS QE 3.25 324 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, igr1= 119, 120, igr2= 122, 123, &end # # 32 LYS QD 32 LYS QE 3.25 324 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, igr1= 401, 402, igr2= 404, 405, &end # # 54 LYS QD 54 LYS QE 3.25 324 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, igr1= 683, 684, igr2= 686, 687, &end # # 76 LYS QD 76 LYS QE 3.25 324 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, igr1= 965, 966, igr2= 968, 969, &end # # 10 LYS QD 11 ALA HN 7.38 372 &rst ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88, igr1= 119, 120, &end # # 32 LYS QD 33 ALA HN 7.38 372 &rst ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88, igr1= 401, 402, &end # # 54 LYS QD 55 ALA HN 7.38 372 &rst ixpk= 0, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88, igr1= 683, 684, &end # # 76 LYS QD 77 ALA HN 7.38 372 &rst ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88, igr1= 965, 966, &end # # 11 ALA HN 11 ALA HA 3.50 6 &rst ixpk= 0, nxpk= 0, iat= 131, 133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 33 ALA HN 33 ALA HA 3.50 6 &rst ixpk= 0, nxpk= 0, iat= 413, 415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 55 ALA HN 55 ALA HA 3.50 6 &rst ixpk= 0, nxpk= 0, iat= 695, 697, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 77 ALA HN 77 ALA HA 3.50 6 &rst ixpk= 0, nxpk= 0, iat= 977, 979, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 11 ALA HN 11 ALA QB 3.50 219 &rst ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 135, 136, 137, &end # # 33 ALA HN 33 ALA QB 3.50 219 &rst ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 417, 418, 419, &end # # 55 ALA HN 55 ALA QB 3.50 219 &rst ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 699, 700, 701, &end # # 77 ALA HN 77 ALA QB 3.50 219 &rst ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 981, 982, 983, &end # # 11 ALA HN 12 ILE HN 4.00 406 &rst ixpk= 0, nxpk= 0, iat= 131, 141, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 33 ALA HN 34 ILE HN 4.00 406 &rst ixpk= 0, nxpk= 0, iat= 413, 423, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 55 ALA HN 56 ILE HN 4.00 406 &rst ixpk= 0, nxpk= 0, iat= 695, 705, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 77 ALA HN 78 ILE HN 4.00 406 &rst ixpk= 0, nxpk= 0, iat= 977, 987, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 11 ALA HN 12 ILE HA 7.50 406 &rst ixpk= 0, nxpk= 0, iat= 131, 143, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 33 ALA HN 34 ILE HA 7.50 406 &rst ixpk= 0, nxpk= 0, iat= 413, 425, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 55 ALA HN 56 ILE HA 7.50 406 &rst ixpk= 0, nxpk= 0, iat= 695, 707, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 77 ALA HN 78 ILE HA 7.50 406 &rst ixpk= 0, nxpk= 0, iat= 977, 989, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 11 ALA HN 12 ILE HB 6.00 411 &rst ixpk= 0, nxpk= 0, iat= 131, 145, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 33 ALA HN 34 ILE HB 6.00 411 &rst ixpk= 0, nxpk= 0, iat= 413, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 55 ALA HN 56 ILE HB 6.00 411 &rst ixpk= 0, nxpk= 0, iat= 695, 709, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 77 ALA HN 78 ILE HB 6.00 411 &rst ixpk= 0, nxpk= 0, iat= 977, 991, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 11 ALA HN 12 ILE QG1 7.56 256 &rst ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr2= 151, 152, &end # # 33 ALA HN 34 ILE QG1 7.56 256 &rst ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr2= 433, 434, &end # # 55 ALA HN 56 ILE QG1 7.56 256 &rst ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr2= 715, 716, &end # # 77 ALA HN 78 ILE QG1 7.56 256 &rst ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr2= 997, 998, &end # # 11 ALA HN 13 ALA HN 6.00 461 &rst ixpk= 0, nxpk= 0, iat= 131, 160, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 33 ALA HN 35 ALA HN 6.00 461 &rst ixpk= 0, nxpk= 0, iat= 413, 442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 55 ALA HN 57 ALA HN 6.00 461 &rst ixpk= 0, nxpk= 0, iat= 695, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 77 ALA HN 79 ALA HN 6.00 461 &rst ixpk= 0, nxpk= 0, iat= 977,1006, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 11 ALA HN 37 ILE QG2 8.03 255 &rst ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 468, 469, 470, &end # # 33 ALA HN 15 ILE QG2 8.03 255 &rst ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 186, 187, 188, &end # # 55 ALA HN 81 ILE QG2 8.03 255 &rst ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2=1032,1033,1034, &end # # 77 ALA HN 59 ILE QG2 8.03 255 &rst ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 750, 751, 752, &end # # 11 ALA HN 15 ILE QD1 7.53 257 &rst ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 193, 194, 195, &end # # 33 ALA HN 37 ILE QD1 7.53 257 &rst ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 475, 476, 477, &end # # 55 ALA HN 59 ILE QD1 7.53 257 &rst ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 757, 758, 759, &end # # 77 ALA HN 81 ILE QD1 7.53 257 &rst ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2=1039,1040,1041, &end # # 11 ALA HA 11 ALA QB 3.48 403 &rst ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2= 135, 136, 137, &end # # 33 ALA HA 33 ALA QB 3.48 403 &rst ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2= 417, 418, 419, &end # # 55 ALA HA 55 ALA QB 3.48 403 &rst ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2= 699, 700, 701, &end # # 77 ALA HA 77 ALA QB 3.48 403 &rst ixpk= 0, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2= 981, 982, 983, &end # # 11 ALA HA 13 ALA HN 6.00 49 &rst ixpk= 0, nxpk= 0, iat= 133, 160, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 33 ALA HA 35 ALA HN 6.00 49 &rst ixpk= 0, nxpk= 0, iat= 415, 442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 55 ALA HA 57 ALA HN 6.00 49 &rst ixpk= 0, nxpk= 0, iat= 697, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 77 ALA HA 79 ALA HN 6.00 49 &rst ixpk= 0, nxpk= 0, iat= 979,1006, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 11 ALA QB 12 ILE HN 5.53 405 &rst ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 135, 136, 137, &end # # 33 ALA QB 34 ILE HN 5.53 405 &rst ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 417, 418, 419, &end # # 55 ALA QB 56 ILE HN 5.53 405 &rst ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 699, 700, 701, &end # # 77 ALA QB 78 ILE HN 5.53 405 &rst ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 981, 982, 983, &end # # 11 ALA QB 12 ILE HA 6.03 549 &rst ixpk= 0, nxpk= 0, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 135, 136, 137, &end # # 33 ALA QB 34 ILE HA 6.03 549 &rst ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 417, 418, 419, &end # # 55 ALA QB 56 ILE HA 6.03 549 &rst ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 699, 700, 701, &end # # 77 ALA QB 78 ILE HA 6.03 549 &rst ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 981, 982, 983, &end # # 16 ILE QG1 12 ILE QD1 6.56 597 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1= 209, 210, igr2= 154, 155, 156, &end # # 38 ILE QG1 34 ILE QD1 6.56 597 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1= 491, 492, igr2= 436, 437, 438, &end # # 60 ILE QG1 56 ILE QD1 6.56 597 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1= 773, 774, igr2= 718, 719, 720, &end # # 82 ILE QG1 78 ILE QD1 6.56 597 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1=1055,1056, igr2=1000,1001,1002, &end # # 12 ILE HN 12 ILE HA 3.50 43 &rst ixpk= 0, nxpk= 0, iat= 141, 143, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 ILE HN 34 ILE HA 3.50 43 &rst ixpk= 0, nxpk= 0, iat= 423, 425, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 56 ILE HN 56 ILE HA 3.50 43 &rst ixpk= 0, nxpk= 0, iat= 705, 707, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 78 ILE HN 78 ILE HA 3.50 43 &rst ixpk= 0, nxpk= 0, iat= 987, 989, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 12 ILE HN 12 ILE HB 3.80 91 &rst ixpk= 0, nxpk= 0, iat= 141, 145, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 34 ILE HN 34 ILE HB 3.80 91 &rst ixpk= 0, nxpk= 0, iat= 423, 427, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 56 ILE HN 56 ILE HB 3.80 91 &rst ixpk= 0, nxpk= 0, iat= 705, 709, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 78 ILE HN 78 ILE HB 3.80 91 &rst ixpk= 0, nxpk= 0, iat= 987, 991, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 12 ILE HN 12 ILE QD1 5.03 67 &rst ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2= 154, 155, 156, &end # # 34 ILE HN 34 ILE QD1 5.03 67 &rst ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2= 436, 437, 438, &end # # 56 ILE HN 56 ILE QD1 5.03 67 &rst ixpk= 0, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2= 718, 719, 720, &end # # 78 ILE HN 78 ILE QD1 5.03 67 &rst ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2=1000,1001,1002, &end # # 12 ILE HN 12 ILE QG2 4.50 96 &rst ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 147, 148, 149, &end # # 34 ILE HN 34 ILE QG2 4.50 96 &rst ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 429, 430, 431, &end # # 56 ILE HN 56 ILE QG2 4.50 96 &rst ixpk= 0, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 711, 712, 713, &end # # 78 ILE HN 78 ILE QG2 4.50 96 &rst ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 993, 994, 995, &end # # 12 ILE HN 12 ILE QG1 4.10 69 &rst ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 151, 152, &end # # 34 ILE HN 34 ILE QG1 4.10 69 &rst ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 433, 434, &end # # 56 ILE HN 56 ILE QG1 4.10 69 &rst ixpk= 0, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 715, 716, &end # # 78 ILE HN 78 ILE QG1 4.10 69 &rst ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 997, 998, &end # # 12 ILE HN 13 ALA HN 3.50 59 &rst ixpk= 0, nxpk= 0, iat= 141, 160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 ILE HN 35 ALA HN 3.50 59 &rst ixpk= 0, nxpk= 0, iat= 423, 442, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 56 ILE HN 57 ALA HN 3.50 59 &rst ixpk= 0, nxpk= 0, iat= 705, 724, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 78 ILE HN 79 ALA HN 3.50 59 &rst ixpk= 0, nxpk= 0, iat= 987,1006, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 12 ILE HN 15 ILE HN 6.50 464 &rst ixpk= 0, nxpk= 0, iat= 141, 180, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 34 ILE HN 37 ILE HN 6.50 464 &rst ixpk= 0, nxpk= 0, iat= 423, 462, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 56 ILE HN 59 ILE HN 6.50 464 &rst ixpk= 0, nxpk= 0, iat= 705, 744, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 78 ILE HN 81 ILE HN 6.50 464 &rst ixpk= 0, nxpk= 0, iat= 987,1026, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 12 ILE HN 15 ILE QG2 5.53 68 &rst ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2= 186, 187, 188, &end # # 34 ILE HN 37 ILE QG2 5.53 68 &rst ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2= 468, 469, 470, &end # # 56 ILE HN 59 ILE QG2 5.53 68 &rst ixpk= 0, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2= 750, 751, 752, &end # # 78 ILE HN 81 ILE QG2 5.53 68 &rst ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2=1032,1033,1034, &end # # 12 ILE HA 12 ILE HB 4.00 104 &rst ixpk= 0, nxpk= 0, iat= 143, 145, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 34 ILE HA 34 ILE HB 4.00 104 &rst ixpk= 0, nxpk= 0, iat= 425, 427, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 56 ILE HA 56 ILE HB 4.00 104 &rst ixpk= 0, nxpk= 0, iat= 707, 709, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 78 ILE HA 78 ILE HB 4.00 104 &rst ixpk= 0, nxpk= 0, iat= 989, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 12 ILE HA 12 ILE QD1 5.50 99 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 154, 155, 156, &end # # 34 ILE HA 34 ILE QD1 5.50 99 &rst ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 436, 437, 438, &end # # 56 ILE HA 56 ILE QD1 5.50 99 &rst ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 718, 719, 720, &end # # 78 ILE HA 78 ILE QD1 5.50 99 &rst ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2=1000,1001,1002, &end # # 12 ILE HA 12 ILE QG2 3.73 128 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr2= 147, 148, 149, &end # # 34 ILE HA 34 ILE QG2 3.73 128 &rst ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr2= 429, 430, 431, &end # # 56 ILE HA 56 ILE QG2 3.73 128 &rst ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr2= 711, 712, 713, &end # # 78 ILE HA 78 ILE QG2 3.73 128 &rst ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr2= 993, 994, 995, &end # # 12 ILE HA 12 ILE QG1 4.53 101 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 151, 152, &end # # 34 ILE HA 34 ILE QG1 4.53 101 &rst ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 433, 434, &end # # 56 ILE HA 56 ILE QG1 4.53 101 &rst ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 715, 716, &end # # 78 ILE HA 78 ILE QG1 4.53 101 &rst ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 997, 998, &end # # 12 ILE HA 13 ALA HN 4.49 88 &rst ixpk= 0, nxpk= 0, iat= 143, 160, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 34 ILE HA 35 ALA HN 4.49 88 &rst ixpk= 0, nxpk= 0, iat= 425, 442, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 56 ILE HA 57 ALA HN 4.49 88 &rst ixpk= 0, nxpk= 0, iat= 707, 724, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 78 ILE HA 79 ALA HN 4.49 88 &rst ixpk= 0, nxpk= 0, iat= 989,1006, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 12 ILE HA 14 ALA HN 6.00 46 &rst ixpk= 0, nxpk= 0, iat= 143, 170, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 34 ILE HA 36 ALA HN 6.00 46 &rst ixpk= 0, nxpk= 0, iat= 425, 452, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 56 ILE HA 58 ALA HN 6.00 46 &rst ixpk= 0, nxpk= 0, iat= 707, 734, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 78 ILE HA 80 ALA HN 6.00 46 &rst ixpk= 0, nxpk= 0, iat= 989,1016, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 12 ILE HA 15 ILE HN 4.00 493 &rst ixpk= 0, nxpk= 0, iat= 143, 180, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 34 ILE HA 37 ILE HN 4.00 493 &rst ixpk= 0, nxpk= 0, iat= 425, 462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 56 ILE HA 59 ILE HN 4.00 493 &rst ixpk= 0, nxpk= 0, iat= 707, 744, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 78 ILE HA 81 ILE HN 4.00 493 &rst ixpk= 0, nxpk= 0, iat= 989,1026, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 12 ILE HA 15 ILE HA 5.50 607 &rst ixpk= 0, nxpk= 0, iat= 143, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 ILE HA 37 ILE HA 5.50 607 &rst ixpk= 0, nxpk= 0, iat= 425, 464, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 56 ILE HA 59 ILE HA 5.50 607 &rst ixpk= 0, nxpk= 0, iat= 707, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 78 ILE HA 81 ILE HA 5.50 607 &rst ixpk= 0, nxpk= 0, iat= 989,1028, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 12 ILE HA 15 ILE HB 4.00 574 &rst ixpk= 0, nxpk= 0, iat= 143, 184, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 34 ILE HA 37 ILE HB 4.00 574 &rst ixpk= 0, nxpk= 0, iat= 425, 466, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 56 ILE HA 59 ILE HB 4.00 574 &rst ixpk= 0, nxpk= 0, iat= 707, 748, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 78 ILE HA 81 ILE HB 4.00 574 &rst ixpk= 0, nxpk= 0, iat= 989,1030, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 12 ILE HA 15 ILE QG2 5.41 553 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr2= 186, 187, 188, &end # # 34 ILE HA 37 ILE QG2 5.41 553 &rst ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr2= 468, 469, 470, &end # # 56 ILE HA 59 ILE QG2 5.41 553 &rst ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr2= 750, 751, 752, &end # # 78 ILE HA 81 ILE QG2 5.41 553 &rst ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr2=1032,1033,1034, &end # # 12 ILE HA 15 ILE QG1 5.50 631 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 190, 191, &end # # 34 ILE HA 37 ILE QG1 5.50 631 &rst ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 472, 473, &end # # 56 ILE HA 59 ILE QG1 5.50 631 &rst ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 754, 755, &end # # 78 ILE HA 81 ILE QG1 5.50 631 &rst ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2=1036,1037, &end # # 12 ILE HA 16 ILE HN 5.50 497 &rst ixpk= 0, nxpk= 0, iat= 143, 199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 ILE HA 38 ILE HN 5.50 497 &rst ixpk= 0, nxpk= 0, iat= 425, 481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 56 ILE HA 60 ILE HN 5.50 497 &rst ixpk= 0, nxpk= 0, iat= 707, 763, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 78 ILE HA 82 ILE HN 5.50 497 &rst ixpk= 0, nxpk= 0, iat= 989,1045, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 12 ILE HB 12 ILE QD1 3.53 122 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 154, 155, 156, &end # # 34 ILE HB 34 ILE QD1 3.53 122 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 436, 437, 438, &end # # 56 ILE HB 56 ILE QD1 3.53 122 &rst ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 718, 719, 720, &end # # 78 ILE HB 78 ILE QD1 3.53 122 &rst ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2=1000,1001,1002, &end # # 12 ILE HB 12 ILE QG2 3.50 111 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 147, 148, 149, &end # # 34 ILE HB 34 ILE QG2 3.50 111 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 429, 430, 431, &end # # 56 ILE HB 56 ILE QG2 3.50 111 &rst ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 711, 712, 713, &end # # 78 ILE HB 78 ILE QG2 3.50 111 &rst ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 993, 994, 995, &end # # 12 ILE HB 12 ILE QG1 3.53 124 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 151, 152, &end # # 34 ILE HB 34 ILE QG1 3.53 124 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 433, 434, &end # # 56 ILE HB 56 ILE QG1 3.53 124 &rst ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 715, 716, &end # # 78 ILE HB 78 ILE QG1 3.53 124 &rst ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 997, 998, &end # # 12 ILE HB 13 ALA HN 4.50 92 &rst ixpk= 0, nxpk= 0, iat= 145, 160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 34 ILE HB 35 ALA HN 4.50 92 &rst ixpk= 0, nxpk= 0, iat= 427, 442, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 56 ILE HB 57 ALA HN 4.50 92 &rst ixpk= 0, nxpk= 0, iat= 709, 724, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 78 ILE HB 79 ALA HN 4.50 92 &rst ixpk= 0, nxpk= 0, iat= 991,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 12 ILE HB 15 ILE QG2 6.53 583 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 186, 187, 188, &end # # 34 ILE HB 37 ILE QG2 6.53 583 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 468, 469, 470, &end # # 56 ILE HB 59 ILE QG2 6.53 583 &rst ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 750, 751, 752, &end # # 78 ILE HB 81 ILE QG2 6.53 583 &rst ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2=1032,1033,1034, &end # # 12 ILE HB 15 ILE QG1 7.50 640 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 190, 191, &end # # 34 ILE HB 37 ILE QG1 7.50 640 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 472, 473, &end # # 56 ILE HB 59 ILE QG1 7.50 640 &rst ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 754, 755, &end # # 78 ILE HB 81 ILE QG1 7.50 640 &rst ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2=1036,1037, &end # # 12 ILE HB 16 ILE QG1 6.50 639 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 209, 210, &end # # 34 ILE HB 38 ILE QG1 6.50 639 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 491, 492, &end # # 56 ILE HB 60 ILE QG1 6.50 639 &rst ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 773, 774, &end # # 78 ILE HB 82 ILE QG1 6.50 639 &rst ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2=1055,1056, &end # # 12 ILE QD1 12 ILE QG1 3.53 108 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 154, 155, 156, igr2= 151, 152, &end # # 34 ILE QD1 34 ILE QG1 3.53 108 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 436, 437, 438, igr2= 433, 434, &end # # 56 ILE QD1 56 ILE QG1 3.53 108 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 718, 719, 720, igr2= 715, 716, &end # # 78 ILE QD1 78 ILE QG1 3.53 108 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1000,1001,1002, igr2= 997, 998, &end # # 12 ILE QD1 13 ALA HN 5.08 97 &rst ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 154, 155, 156, &end # # 34 ILE QD1 35 ALA HN 5.08 97 &rst ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 436, 437, 438, &end # # 56 ILE QD1 57 ALA HN 5.08 97 &rst ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 718, 719, 720, &end # # 78 ILE QD1 79 ALA HN 5.08 97 &rst ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1=1000,1001,1002, &end # # 12 ILE QD1 15 ILE HN 8.00 178 &rst ixpk= 0, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 154, 155, 156, &end # # 34 ILE QD1 37 ILE HN 8.00 178 &rst ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 436, 437, 438, &end # # 56 ILE QD1 59 ILE HN 8.00 178 &rst ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 718, 719, 720, &end # # 78 ILE QD1 81 ILE HN 8.00 178 &rst ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1=1000,1001,1002, &end # # 12 ILE QD1 15 ILE HB 8.03 192 &rst ixpk= 0, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 154, 155, 156, &end # # 34 ILE QD1 37 ILE HB 8.03 192 &rst ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 436, 437, 438, &end # # 56 ILE QD1 59 ILE HB 8.03 192 &rst ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 718, 719, 720, &end # # 78 ILE QD1 81 ILE HB 8.03 192 &rst ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1=1000,1001,1002, &end # # 12 ILE QD1 15 ILE QG2 8.56 118 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, igr1= 154, 155, 156, igr2= 186, 187, 188, &end # # 34 ILE QD1 37 ILE QG2 8.56 118 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, igr1= 436, 437, 438, igr2= 468, 469, 470, &end # # 56 ILE QD1 59 ILE QG2 8.56 118 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, igr1= 718, 719, 720, igr2= 750, 751, 752, &end # # 78 ILE QD1 81 ILE QG2 8.56 118 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, igr1=1000,1001,1002, igr2=1032,1033,1034, &end # # 12 ILE QD1 21 HIS HD2 8.03 544 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 154, 155, 156, &end # # 34 ILE QD1 43 HIS HD2 8.03 544 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 436, 437, 438, &end # # 56 ILE QD1 65 HIS HD2 8.03 544 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 718, 719, 720, &end # # 78 ILE QD1 87 HIS HD2 8.03 544 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1=1000,1001,1002, &end # # 12 ILE QG1 12 ILE QG2 4.50 110 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 151, 152, igr2= 147, 148, 149, &end # # 34 ILE QG1 34 ILE QG2 4.50 110 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 433, 434, igr2= 429, 430, 431, &end # # 56 ILE QG1 56 ILE QG2 4.50 110 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 715, 716, igr2= 711, 712, 713, &end # # 78 ILE QG1 78 ILE QG2 4.50 110 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 997, 998, igr2= 993, 994, 995, &end # # 12 ILE QG1 13 ALA HN 3.50 93 &rst ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr1= 151, 152, &end # # 34 ILE QG1 35 ALA HN 3.50 93 &rst ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr1= 433, 434, &end # # 56 ILE QG1 57 ALA HN 3.50 93 &rst ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr1= 715, 716, &end # # 78 ILE QG1 79 ALA HN 3.50 93 &rst ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr1= 997, 998, &end # # 12 ILE QG1 16 ILE QD1 7.53 626 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 151, 152, igr2= 212, 213, 214, &end # # 34 ILE QG1 38 ILE QD1 7.53 626 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 433, 434, igr2= 494, 495, 496, &end # # 56 ILE QG1 60 ILE QD1 7.53 626 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 715, 716, igr2= 776, 777, 778, &end # # 78 ILE QG1 82 ILE QD1 7.53 626 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 997, 998, igr2=1058,1059,1060, &end # # 12 ILE QG2 13 ALA HN 6.00 72 &rst ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 147, 148, 149, &end # # 34 ILE QG2 35 ALA HN 6.00 72 &rst ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 429, 430, 431, &end # # 56 ILE QG2 57 ALA HN 6.00 72 &rst ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 711, 712, 713, &end # # 78 ILE QG2 79 ALA HN 6.00 72 &rst ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 993, 994, 995, &end # # 12 ILE QG2 13 ALA HA 7.00 183 &rst ixpk= 0, nxpk= 0, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 147, 148, 149, &end # # 34 ILE QG2 35 ALA HA 7.00 183 &rst ixpk= 0, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 429, 430, 431, &end # # 56 ILE QG2 57 ALA HA 7.00 183 &rst ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 711, 712, 713, &end # # 78 ILE QG2 79 ALA HA 7.00 183 &rst ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 993, 994, 995, &end # # 12 ILE QG2 14 ALA HN 8.00 254 &rst ixpk= 0, nxpk= 0, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 147, 148, 149, &end # # 34 ILE QG2 36 ALA HN 8.00 254 &rst ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 429, 430, 431, &end # # 56 ILE QG2 58 ALA HN 8.00 254 &rst ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 711, 712, 713, &end # # 78 ILE QG2 80 ALA HN 8.00 254 &rst ixpk= 0, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 993, 994, 995, &end # # 12 ILE QG2 16 ILE QG1 6.50 627 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 147, 148, 149, igr2= 209, 210, &end # # 34 ILE QG2 38 ILE QG1 6.50 627 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 429, 430, 431, igr2= 491, 492, &end # # 56 ILE QG2 60 ILE QG1 6.50 627 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 711, 712, 713, igr2= 773, 774, &end # # 78 ILE QG2 82 ILE QG1 6.50 627 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 993, 994, 995, igr2=1055,1056, &end # # 12 ILE QG1 15 ILE HB 8.53 190 &rst ixpk= 0, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 151, 152, &end # # 34 ILE QG1 37 ILE HB 8.53 190 &rst ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 433, 434, &end # # 56 ILE QG1 59 ILE HB 8.53 190 &rst ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 715, 716, &end # # 78 ILE QG1 81 ILE HB 8.53 190 &rst ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 997, 998, &end # # 13 ALA HN 13 ALA HA 3.24 51 &rst ixpk= 0, nxpk= 0, iat= 160, 162, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 35 ALA HN 35 ALA HA 3.24 51 &rst ixpk= 0, nxpk= 0, iat= 442, 444, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 57 ALA HN 57 ALA HA 3.24 51 &rst ixpk= 0, nxpk= 0, iat= 724, 726, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 79 ALA HN 79 ALA HA 3.24 51 &rst ixpk= 0, nxpk= 0, iat=1006,1008, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 13 ALA HN 13 ALA QB 3.49 65 &rst ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr2= 164, 165, 166, &end # # 35 ALA HN 35 ALA QB 3.49 65 &rst ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr2= 446, 447, 448, &end # # 57 ALA HN 57 ALA QB 3.49 65 &rst ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr2= 728, 729, 730, &end # # 79 ALA HN 79 ALA QB 3.49 65 &rst ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr2=1010,1011,1012, &end # # 13 ALA HN 14 ALA HN 3.70 235 &rst ixpk= 0, nxpk= 0, iat= 160, 170, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 35 ALA HN 36 ALA HN 3.70 235 &rst ixpk= 0, nxpk= 0, iat= 442, 452, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 57 ALA HN 58 ALA HN 3.70 235 &rst ixpk= 0, nxpk= 0, iat= 724, 734, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 79 ALA HN 80 ALA HN 3.70 235 &rst ixpk= 0, nxpk= 0, iat=1006,1016, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 13 ALA HN 15 ILE HN 6.50 463 &rst ixpk= 0, nxpk= 0, iat= 160, 180, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 35 ALA HN 37 ILE HN 6.50 463 &rst ixpk= 0, nxpk= 0, iat= 442, 462, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 57 ALA HN 59 ILE HN 6.50 463 &rst ixpk= 0, nxpk= 0, iat= 724, 744, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 79 ALA HN 81 ILE HN 6.50 463 &rst ixpk= 0, nxpk= 0, iat=1006,1026, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 13 ALA HN 15 ILE HA 7.50 485 &rst ixpk= 0, nxpk= 0, iat= 160, 182, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 35 ALA HN 37 ILE HA 7.50 485 &rst ixpk= 0, nxpk= 0, iat= 442, 464, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 57 ALA HN 59 ILE HA 7.50 485 &rst ixpk= 0, nxpk= 0, iat= 724, 746, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 79 ALA HN 81 ILE HA 7.50 485 &rst ixpk= 0, nxpk= 0, iat=1006,1028, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 13 ALA HN 16 ILE HN 7.00 458 &rst ixpk= 0, nxpk= 0, iat= 160, 199, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 35 ALA HN 38 ILE HN 7.00 458 &rst ixpk= 0, nxpk= 0, iat= 442, 481, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 57 ALA HN 60 ILE HN 7.00 458 &rst ixpk= 0, nxpk= 0, iat= 724, 763, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 79 ALA HN 82 ILE HN 7.00 458 &rst ixpk= 0, nxpk= 0, iat=1006,1045, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 13 ALA HN 16 ILE HB 5.50 487 &rst ixpk= 0, nxpk= 0, iat= 160, 203, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 35 ALA HN 38 ILE HB 5.50 487 &rst ixpk= 0, nxpk= 0, iat= 442, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 57 ALA HN 60 ILE HB 5.50 487 &rst ixpk= 0, nxpk= 0, iat= 724, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 79 ALA HN 82 ILE HB 5.50 487 &rst ixpk= 0, nxpk= 0, iat=1006,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 13 ALA HN 16 ILE QG2 7.03 71 &rst ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 205, 206, 207, &end # # 35 ALA HN 38 ILE QG2 7.03 71 &rst ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 487, 488, 489, &end # # 57 ALA HN 60 ILE QG2 7.03 71 &rst ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 769, 770, 771, &end # # 79 ALA HN 82 ILE QG2 7.03 71 &rst ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2=1051,1052,1053, &end # # 13 ALA HN 16 ILE QD1 6.03 488 &rst ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2= 212, 213, 214, &end # # 35 ALA HN 38 ILE QD1 6.03 488 &rst ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2= 494, 495, 496, &end # # 57 ALA HN 60 ILE QD1 6.03 488 &rst ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2= 776, 777, 778, &end # # 79 ALA HN 82 ILE QD1 6.03 488 &rst ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2=1058,1059,1060, &end # # 13 ALA HA 13 ALA QB 3.53 61 &rst ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 164, 165, 166, &end # # 35 ALA HA 35 ALA QB 3.53 61 &rst ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 446, 447, 448, &end # # 57 ALA HA 57 ALA QB 3.53 61 &rst ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 728, 729, 730, &end # # 79 ALA HA 79 ALA QB 3.53 61 &rst ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2=1010,1011,1012, &end # # 13 ALA HA 14 ALA HN 4.45 233 &rst ixpk= 0, nxpk= 0, iat= 162, 170, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 35 ALA HA 36 ALA HN 4.45 233 &rst ixpk= 0, nxpk= 0, iat= 444, 452, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 57 ALA HA 58 ALA HN 4.45 233 &rst ixpk= 0, nxpk= 0, iat= 726, 734, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 79 ALA HA 80 ALA HN 4.45 233 &rst ixpk= 0, nxpk= 0, iat=1008,1016, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 13 ALA HA 15 ILE HN 6.00 32 &rst ixpk= 0, nxpk= 0, iat= 162, 180, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 35 ALA HA 37 ILE HN 6.00 32 &rst ixpk= 0, nxpk= 0, iat= 444, 462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 57 ALA HA 59 ILE HN 6.00 32 &rst ixpk= 0, nxpk= 0, iat= 726, 744, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 79 ALA HA 81 ILE HN 6.00 32 &rst ixpk= 0, nxpk= 0, iat=1008,1026, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 13 ALA HA 16 ILE HN 4.50 63 &rst ixpk= 0, nxpk= 0, iat= 162, 199, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 35 ALA HA 38 ILE HN 4.50 63 &rst ixpk= 0, nxpk= 0, iat= 444, 481, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 57 ALA HA 60 ILE HN 4.50 63 &rst ixpk= 0, nxpk= 0, iat= 726, 763, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 79 ALA HA 82 ILE HN 4.50 63 &rst ixpk= 0, nxpk= 0, iat=1008,1045, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 13 ALA HA 16 ILE HB 3.80 573 &rst ixpk= 0, nxpk= 0, iat= 162, 203, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 35 ALA HA 38 ILE HB 3.80 573 &rst ixpk= 0, nxpk= 0, iat= 444, 485, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 57 ALA HA 60 ILE HB 3.80 573 &rst ixpk= 0, nxpk= 0, iat= 726, 767, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 79 ALA HA 82 ILE HB 3.80 573 &rst ixpk= 0, nxpk= 0, iat=1008,1049, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 13 ALA HA 16 ILE QG2 5.01 130 &rst ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2= 205, 206, 207, &end # # 35 ALA HA 38 ILE QG2 5.01 130 &rst ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2= 487, 488, 489, &end # # 57 ALA HA 60 ILE QG2 5.01 130 &rst ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2= 769, 770, 771, &end # # 79 ALA HA 82 ILE QG2 5.01 130 &rst ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2=1051,1052,1053, &end # # 13 ALA HA 16 ILE QD1 4.53 132 &rst ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 212, 213, 214, &end # # 35 ALA HA 38 ILE QD1 4.53 132 &rst ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 494, 495, 496, &end # # 57 ALA HA 60 ILE QD1 4.53 132 &rst ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 776, 777, 778, &end # # 79 ALA HA 82 ILE QD1 4.53 132 &rst ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2=1058,1059,1060, &end # # 13 ALA HA 17 LYS HN 5.56 29 &rst ixpk= 0, nxpk= 0, iat= 162, 218, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 35 ALA HA 39 LYS HN 5.56 29 &rst ixpk= 0, nxpk= 0, iat= 444, 500, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 57 ALA HA 61 LYS HN 5.56 29 &rst ixpk= 0, nxpk= 0, iat= 726, 782, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 79 ALA HA 83 LYS HN 5.56 29 &rst ixpk= 0, nxpk= 0, iat=1008,1064, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 13 ALA QB 16 ILE HB 6.00 638 &rst ixpk= 0, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 164, 165, 166, &end # # 35 ALA QB 38 ILE HB 6.00 638 &rst ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 446, 447, 448, &end # # 57 ALA QB 60 ILE HB 6.00 638 &rst ixpk= 0, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 728, 729, 730, &end # # 79 ALA QB 82 ILE HB 6.00 638 &rst ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1010,1011,1012, &end # # 13 ALA QB 16 ILE QG2 7.50 613 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 164, 165, 166, igr2= 205, 206, 207, &end # # 35 ALA QB 38 ILE QG2 7.50 613 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 446, 447, 448, igr2= 487, 488, 489, &end # # 57 ALA QB 60 ILE QG2 7.50 613 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 728, 729, 730, igr2= 769, 770, 771, &end # # 79 ALA QB 82 ILE QG2 7.50 613 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1=1010,1011,1012, igr2=1051,1052,1053, &end # # 13 ALA QB 82 ILE QG2 7.00 613 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 164, 165, 166, igr2=1051,1052,1053, &end # # 35 ALA QB 60 ILE QG2 7.00 613 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 446, 447, 448, igr2= 769, 770, 771, &end # # 57 ALA QB 38 ILE QG2 7.00 613 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 728, 729, 730, igr2= 487, 488, 489, &end # # 79 ALA QB 16 ILE QG2 7.00 613 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1=1010,1011,1012, igr2= 205, 206, 207, &end # # 13 ALA QB 16 ILE QD1 7.00 624 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 164, 165, 166, igr2= 212, 213, 214, &end # # 35 ALA QB 38 ILE QD1 7.00 624 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 446, 447, 448, igr2= 494, 495, 496, &end # # 57 ALA QB 60 ILE QD1 7.00 624 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 728, 729, 730, igr2= 776, 777, 778, &end # # 79 ALA QB 82 ILE QD1 7.00 624 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1=1010,1011,1012, igr2=1058,1059,1060, &end # # 14 ALA HN 14 ALA HA 3.50 225 &rst ixpk= 0, nxpk= 0, iat= 170, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 36 ALA HN 36 ALA HA 3.50 225 &rst ixpk= 0, nxpk= 0, iat= 452, 454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 58 ALA HN 58 ALA HA 3.50 225 &rst ixpk= 0, nxpk= 0, iat= 734, 736, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 80 ALA HN 80 ALA HA 3.50 225 &rst ixpk= 0, nxpk= 0, iat=1016,1018, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 14 ALA HN 14 ALA QB 3.50 229 &rst ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 174, 175, 176, &end # # 36 ALA HN 36 ALA QB 3.50 229 &rst ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 456, 457, 458, &end # # 58 ALA HN 58 ALA QB 3.50 229 &rst ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 738, 739, 740, &end # # 80 ALA HN 80 ALA QB 3.50 229 &rst ixpk= 0, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2=1020,1021,1022, &end # # 14 ALA HN 15 ILE HN 3.50 223 &rst ixpk= 0, nxpk= 0, iat= 170, 180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 36 ALA HN 37 ILE HN 3.50 223 &rst ixpk= 0, nxpk= 0, iat= 452, 462, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 58 ALA HN 59 ILE HN 3.50 223 &rst ixpk= 0, nxpk= 0, iat= 734, 744, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 80 ALA HN 81 ILE HN 3.50 223 &rst ixpk= 0, nxpk= 0, iat=1016,1026, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 14 ALA HN 15 ILE HA 6.00 227 &rst ixpk= 0, nxpk= 0, iat= 170, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 36 ALA HN 37 ILE HA 6.00 227 &rst ixpk= 0, nxpk= 0, iat= 452, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 58 ALA HN 59 ILE HA 6.00 227 &rst ixpk= 0, nxpk= 0, iat= 734, 746, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 80 ALA HN 81 ILE HA 6.00 227 &rst ixpk= 0, nxpk= 0, iat=1016,1028, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 14 ALA HN 15 ILE HB 5.50 456 &rst ixpk= 0, nxpk= 0, iat= 170, 184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 36 ALA HN 37 ILE HB 5.50 456 &rst ixpk= 0, nxpk= 0, iat= 452, 466, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 58 ALA HN 59 ILE HB 5.50 456 &rst ixpk= 0, nxpk= 0, iat= 734, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 80 ALA HN 81 ILE HB 5.50 456 &rst ixpk= 0, nxpk= 0, iat=1016,1030, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 14 ALA HN 16 ILE HB 6.00 456 &rst ixpk= 0, nxpk= 0, iat= 170, 203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 36 ALA HN 38 ILE HB 6.00 456 &rst ixpk= 0, nxpk= 0, iat= 452, 485, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 58 ALA HN 60 ILE HB 6.00 456 &rst ixpk= 0, nxpk= 0, iat= 734, 767, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 80 ALA HN 82 ILE HB 6.00 456 &rst ixpk= 0, nxpk= 0, iat=1016,1049, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 14 ALA HN 16 ILE QD1 6.53 480 &rst ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 212, 213, 214, &end # # 36 ALA HN 38 ILE QD1 6.53 480 &rst ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 494, 495, 496, &end # # 58 ALA HN 60 ILE QD1 6.53 480 &rst ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 776, 777, 778, &end # # 80 ALA HN 82 ILE QD1 6.53 480 &rst ixpk= 0, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2=1058,1059,1060, &end # # 14 ALA HN 17 LYS QB 8.00 482 &rst ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 222, 223, &end # # 36 ALA HN 39 LYS QB 8.00 482 &rst ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 504, 505, &end # # 58 ALA HN 61 LYS QB 8.00 482 &rst ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 786, 787, &end # # 80 ALA HN 83 LYS QB 8.00 482 &rst ixpk= 0, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2=1068,1069, &end # # 14 ALA HN 17 LYS HN 6.50 482 &rst ixpk= 0, nxpk= 0, iat= 170, 218, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 36 ALA HN 39 LYS HN 6.50 482 &rst ixpk= 0, nxpk= 0, iat= 452, 500, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 58 ALA HN 61 LYS HN 6.50 482 &rst ixpk= 0, nxpk= 0, iat= 734, 782, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 80 ALA HN 83 LYS HN 6.50 482 &rst ixpk= 0, nxpk= 0, iat=1016,1064, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 14 ALA HA 14 ALA QB 3.53 230 &rst ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 174, 175, 176, &end # # 36 ALA HA 36 ALA QB 3.53 230 &rst ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 456, 457, 458, &end # # 58 ALA HA 58 ALA QB 3.53 230 &rst ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 738, 739, 740, &end # # 80 ALA HA 80 ALA QB 3.53 230 &rst ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2=1020,1021,1022, &end # # 14 ALA HA 15 ILE HN 4.45 8 &rst ixpk= 0, nxpk= 0, iat= 172, 180, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 36 ALA HA 37 ILE HN 4.45 8 &rst ixpk= 0, nxpk= 0, iat= 454, 462, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 58 ALA HA 59 ILE HN 4.45 8 &rst ixpk= 0, nxpk= 0, iat= 736, 744, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 80 ALA HA 81 ILE HN 4.45 8 &rst ixpk= 0, nxpk= 0, iat=1018,1026, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 14 ALA HA 16 ILE HB 6.00 456 &rst ixpk= 0, nxpk= 0, iat= 172, 203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 36 ALA HA 38 ILE HB 6.00 456 &rst ixpk= 0, nxpk= 0, iat= 454, 485, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 58 ALA HA 60 ILE HB 6.00 456 &rst ixpk= 0, nxpk= 0, iat= 736, 767, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 80 ALA HA 82 ILE HB 6.00 456 &rst ixpk= 0, nxpk= 0, iat=1018,1049, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 14 ALA HA 17 LYS HN 6.00 143 &rst ixpk= 0, nxpk= 0, iat= 172, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 36 ALA HA 39 LYS HN 6.00 143 &rst ixpk= 0, nxpk= 0, iat= 454, 500, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 58 ALA HA 61 LYS HN 6.00 143 &rst ixpk= 0, nxpk= 0, iat= 736, 782, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 80 ALA HA 83 LYS HN 6.00 143 &rst ixpk= 0, nxpk= 0, iat=1018,1064, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 14 ALA HA 17 LYS QB 6.00 571 &rst ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 222, 223, &end # # 36 ALA HA 39 LYS QB 6.00 571 &rst ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 504, 505, &end # # 58 ALA HA 61 LYS QB 6.00 571 &rst ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 786, 787, &end # # 80 ALA HA 83 LYS QB 6.00 571 &rst ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1068,1069, &end # # 14 ALA QB 15 ILE HN 4.26 218 &rst ixpk= 0, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr1= 174, 175, 176, &end # # 36 ALA QB 37 ILE HN 4.26 218 &rst ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr1= 456, 457, 458, &end # # 58 ALA QB 59 ILE HN 4.26 218 &rst ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr1= 738, 739, 740, &end # # 80 ALA QB 81 ILE HN 4.26 218 &rst ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr1=1020,1021,1022, &end # # 15 ILE HN 15 ILE HA 3.54 212 &rst ixpk= 0, nxpk= 0, iat= 180, 182, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 37 ILE HN 37 ILE HA 3.54 212 &rst ixpk= 0, nxpk= 0, iat= 462, 464, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 59 ILE HN 59 ILE HA 3.54 212 &rst ixpk= 0, nxpk= 0, iat= 744, 746, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 81 ILE HN 81 ILE HA 3.54 212 &rst ixpk= 0, nxpk= 0, iat=1026,1028, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 15 ILE HN 15 ILE HB 3.50 217 &rst ixpk= 0, nxpk= 0, iat= 180, 184, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 37 ILE HN 37 ILE HB 3.50 217 &rst ixpk= 0, nxpk= 0, iat= 462, 466, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 ILE HN 59 ILE HB 3.50 217 &rst ixpk= 0, nxpk= 0, iat= 744, 748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 81 ILE HN 81 ILE HB 3.50 217 &rst ixpk= 0, nxpk= 0, iat=1026,1030, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 15 ILE HN 15 ILE QG2 5.73 180 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr2= 186, 187, 188, &end # # 37 ILE HN 37 ILE QG2 5.73 180 &rst ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr2= 468, 469, 470, &end # # 59 ILE HN 59 ILE QG2 5.73 180 &rst ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr2= 750, 751, 752, &end # # 81 ILE HN 81 ILE QG2 5.73 180 &rst ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr2=1032,1033,1034, &end # # 15 ILE HN 15 ILE QG1 4.50 181 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 190, 191, &end # # 37 ILE HN 37 ILE QG1 4.50 181 &rst ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 472, 473, &end # # 59 ILE HN 59 ILE QG1 4.50 181 &rst ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 754, 755, &end # # 81 ILE HN 81 ILE QG1 4.50 181 &rst ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2=1036,1037, &end # # 15 ILE HN 15 ILE QD1 5.61 179 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 193, 194, 195, &end # # 37 ILE HN 37 ILE QD1 5.61 179 &rst ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 475, 476, 477, &end # # 59 ILE HN 59 ILE QD1 5.61 179 &rst ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 757, 758, 759, &end # # 81 ILE HN 81 ILE QD1 5.61 179 &rst ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1039,1040,1041, &end # # 15 ILE HN 16 ILE HN 3.51 310 &rst ixpk= 0, nxpk= 0, iat= 180, 199, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 37 ILE HN 38 ILE HN 3.51 310 &rst ixpk= 0, nxpk= 0, iat= 462, 481, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 59 ILE HN 60 ILE HN 3.51 310 &rst ixpk= 0, nxpk= 0, iat= 744, 763, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 81 ILE HN 82 ILE HN 3.51 310 &rst ixpk= 0, nxpk= 0, iat=1026,1045, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 15 ILE HN 16 ILE HB 5.50 273 &rst ixpk= 0, nxpk= 0, iat= 180, 203, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 37 ILE HN 38 ILE HB 5.50 273 &rst ixpk= 0, nxpk= 0, iat= 462, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 59 ILE HN 60 ILE HB 5.50 273 &rst ixpk= 0, nxpk= 0, iat= 744, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 81 ILE HN 82 ILE HB 5.50 273 &rst ixpk= 0, nxpk= 0, iat=1026,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 15 ILE HN 16 ILE QG2 7.53 280 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 205, 206, 207, &end # # 37 ILE HN 38 ILE QG2 7.53 280 &rst ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 487, 488, 489, &end # # 59 ILE HN 60 ILE QG2 7.53 280 &rst ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 769, 770, 771, &end # # 81 ILE HN 82 ILE QG2 7.53 280 &rst ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2=1051,1052,1053, &end # # 15 ILE HN 16 ILE QG1 7.50 279 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 209, 210, &end # # 37 ILE HN 38 ILE QG1 7.50 279 &rst ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 491, 492, &end # # 59 ILE HN 60 ILE QG1 7.50 279 &rst ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 773, 774, &end # # 81 ILE HN 82 ILE QG1 7.50 279 &rst ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2=1055,1056, &end # # 15 ILE HN 16 ILE QD1 8.00 284 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 212, 213, 214, &end # # 37 ILE HN 38 ILE QD1 8.00 284 &rst ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 494, 495, 496, &end # # 59 ILE HN 60 ILE QD1 8.00 284 &rst ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 776, 777, 778, &end # # 81 ILE HN 82 ILE QD1 8.00 284 &rst ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2=1058,1059,1060, &end # # 15 ILE HN 17 LYS HN 6.50 311 &rst ixpk= 0, nxpk= 0, iat= 180, 218, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 37 ILE HN 39 LYS HN 6.50 311 &rst ixpk= 0, nxpk= 0, iat= 462, 500, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 59 ILE HN 61 LYS HN 6.50 311 &rst ixpk= 0, nxpk= 0, iat= 744, 782, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 81 ILE HN 83 LYS HN 6.50 311 &rst ixpk= 0, nxpk= 0, iat=1026,1064, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 15 ILE HN 17 LYS QB 7.50 311 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 222, 223, &end # # 37 ILE HN 39 LYS QB 7.50 311 &rst ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 504, 505, &end # # 59 ILE HN 61 LYS QB 7.50 311 &rst ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 786, 787, &end # # 81 ILE HN 83 LYS QB 7.50 311 &rst ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2=1068,1069, &end # # 15 ILE HN 18 ALA HN 7.50 465 &rst ixpk= 0, nxpk= 0, iat= 180, 240, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 37 ILE HN 40 ALA HN 7.50 465 &rst ixpk= 0, nxpk= 0, iat= 462, 522, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 59 ILE HN 62 ALA HN 7.50 465 &rst ixpk= 0, nxpk= 0, iat= 744, 804, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 81 ILE HN 84 ALA HN 7.50 465 &rst ixpk= 0, nxpk= 0, iat=1026,1086, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 15 ILE HN 18 ALA QB 8.53 231 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 244, 245, 246, &end # # 37 ILE HN 40 ALA QB 8.53 231 &rst ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 526, 527, 528, &end # # 59 ILE HN 62 ALA QB 8.53 231 &rst ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 808, 809, 810, &end # # 81 ILE HN 84 ALA QB 8.53 231 &rst ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1090,1091,1092, &end # # 15 ILE HA 15 ILE HB 3.52 209 &rst ixpk= 0, nxpk= 0, iat= 182, 184, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 37 ILE HA 37 ILE HB 3.52 209 &rst ixpk= 0, nxpk= 0, iat= 464, 466, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 59 ILE HA 59 ILE HB 3.52 209 &rst ixpk= 0, nxpk= 0, iat= 746, 748, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 81 ILE HA 81 ILE HB 3.52 209 &rst ixpk= 0, nxpk= 0, iat=1028,1030, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 15 ILE HA 15 ILE QG2 4.53 134 &rst ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 186, 187, 188, &end # # 37 ILE HA 37 ILE QG2 4.53 134 &rst ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 468, 469, 470, &end # # 59 ILE HA 59 ILE QG2 4.53 134 &rst ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 750, 751, 752, &end # # 81 ILE HA 81 ILE QG2 4.53 134 &rst ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2=1032,1033,1034, &end # # 15 ILE HA 15 ILE QG1 4.80 215 &rst ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 190, 191, &end # # 37 ILE HA 37 ILE QG1 4.80 215 &rst ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 472, 473, &end # # 59 ILE HA 59 ILE QG1 4.80 215 &rst ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 754, 755, &end # # 81 ILE HA 81 ILE QG1 4.80 215 &rst ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=1036,1037, &end # # 15 ILE HA 15 ILE QD1 5.58 136 &rst ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2= 193, 194, 195, &end # # 37 ILE HA 37 ILE QD1 5.58 136 &rst ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2= 475, 476, 477, &end # # 59 ILE HA 59 ILE QD1 5.58 136 &rst ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2= 757, 758, 759, &end # # 81 ILE HA 81 ILE QD1 5.58 136 &rst ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2=1039,1040,1041, &end # # 15 ILE HA 18 ALA HN 4.61 35 &rst ixpk= 0, nxpk= 0, iat= 182, 240, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 37 ILE HA 40 ALA HN 4.61 35 &rst ixpk= 0, nxpk= 0, iat= 464, 522, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 59 ILE HA 62 ALA HN 4.61 35 &rst ixpk= 0, nxpk= 0, iat= 746, 804, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 81 ILE HA 84 ALA HN 4.61 35 &rst ixpk= 0, nxpk= 0, iat=1028,1086, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 15 ILE HA 18 ALA HA 6.53 570 &rst ixpk= 0, nxpk= 0, iat= 182, 242, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, &end # # 37 ILE HA 40 ALA HA 6.53 570 &rst ixpk= 0, nxpk= 0, iat= 464, 524, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, &end # # 59 ILE HA 62 ALA HA 6.53 570 &rst ixpk= 0, nxpk= 0, iat= 746, 806, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, &end # # 81 ILE HA 84 ALA HA 6.53 570 &rst ixpk= 0, nxpk= 0, iat=1028,1088, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, &end # # 15 ILE HA 18 ALA QB 6.03 570 &rst ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2= 244, 245, 246, &end # # 37 ILE HA 40 ALA QB 6.03 570 &rst ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2= 526, 527, 528, &end # # 59 ILE HA 62 ALA QB 6.03 570 &rst ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2= 808, 809, 810, &end # # 81 ILE HA 84 ALA QB 6.03 570 &rst ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2=1090,1091,1092, &end # # 15 ILE HB 15 ILE QG2 3.74 189 &rst ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2= 186, 187, 188, &end # # 37 ILE HB 37 ILE QG2 3.74 189 &rst ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2= 468, 469, 470, &end # # 59 ILE HB 59 ILE QG2 3.74 189 &rst ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2= 750, 751, 752, &end # # 81 ILE HB 81 ILE QG2 3.74 189 &rst ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2=1032,1033,1034, &end # # 15 ILE HB 15 ILE QG1 3.58 193 &rst ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 190, 191, &end # # 37 ILE HB 37 ILE QG1 3.58 193 &rst ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 472, 473, &end # # 59 ILE HB 59 ILE QG1 3.58 193 &rst ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 754, 755, &end # # 81 ILE HB 81 ILE QG1 3.58 193 &rst ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2=1036,1037, &end # # 15 ILE HB 15 ILE QD1 4.06 191 &rst ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 193, 194, 195, &end # # 37 ILE HB 37 ILE QD1 4.06 191 &rst ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 475, 476, 477, &end # # 59 ILE HB 59 ILE QD1 4.06 191 &rst ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 757, 758, 759, &end # # 81 ILE HB 81 ILE QD1 4.06 191 &rst ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2=1039,1040,1041, &end # # 15 ILE HB 16 ILE HN 3.54 265 &rst ixpk= 0, nxpk= 0, iat= 184, 199, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 37 ILE HB 38 ILE HN 3.54 265 &rst ixpk= 0, nxpk= 0, iat= 466, 481, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 59 ILE HB 60 ILE HN 3.54 265 &rst ixpk= 0, nxpk= 0, iat= 748, 763, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 81 ILE HB 82 ILE HN 3.54 265 &rst ixpk= 0, nxpk= 0, iat=1030,1045, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 15 ILE QG2 15 ILE QG1 4.53 196 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 186, 187, 188, igr2= 190, 191, &end # # 37 ILE QG2 37 ILE QG1 4.53 196 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 468, 469, 470, igr2= 472, 473, &end # # 59 ILE QG2 59 ILE QG1 4.53 196 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 750, 751, 752, igr2= 754, 755, &end # # 81 ILE QG2 81 ILE QG1 4.53 196 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1032,1033,1034, igr2=1036,1037, &end # # 15 ILE QG2 15 ILE QD1 5.45 197 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 186, 187, 188, igr2= 193, 194, 195, &end # # 37 ILE QG2 37 ILE QD1 5.45 197 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 468, 469, 470, igr2= 475, 476, 477, &end # # 59 ILE QG2 59 ILE QD1 5.45 197 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 750, 751, 752, igr2= 757, 758, 759, &end # # 81 ILE QG2 81 ILE QD1 5.45 197 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1=1032,1033,1034, igr2=1039,1040,1041, &end # # 15 ILE QG2 16 ILE HN 5.92 282 &rst ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1= 186, 187, 188, &end # # 37 ILE QG2 38 ILE HN 5.92 282 &rst ixpk= 0, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1= 468, 469, 470, &end # # 59 ILE QG2 60 ILE HN 5.92 282 &rst ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1= 750, 751, 752, &end # # 81 ILE QG2 82 ILE HN 5.92 282 &rst ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1=1032,1033,1034, &end # # 15 ILE QG2 16 ILE QG1 6.53 595 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 186, 187, 188, igr2= 209, 210, &end # # 37 ILE QG2 38 ILE QG1 6.53 595 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 468, 469, 470, igr2= 491, 492, &end # # 59 ILE QG2 60 ILE QG1 6.53 595 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 750, 751, 752, igr2= 773, 774, &end # # 81 ILE QG2 82 ILE QG1 6.53 595 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1=1032,1033,1034, igr2=1055,1056, &end # # 15 ILE QG2 18 ALA HN 6.53 478 &rst ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 186, 187, 188, &end # # 37 ILE QG2 40 ALA HN 6.53 478 &rst ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 468, 469, 470, &end # # 59 ILE QG2 62 ALA HN 6.53 478 &rst ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 750, 751, 752, &end # # 81 ILE QG2 84 ALA HN 6.53 478 &rst ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1=1032,1033,1034, &end # # 15 ILE QG2 18 ALA QB 6.56 596 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1= 186, 187, 188, igr2= 244, 245, 246, &end # # 37 ILE QG2 40 ALA QB 6.56 596 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1= 468, 469, 470, igr2= 526, 527, 528, &end # # 59 ILE QG2 62 ALA QB 6.56 596 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1= 750, 751, 752, igr2= 808, 809, 810, &end # # 81 ILE QG2 84 ALA QB 6.56 596 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1=1032,1033,1034, igr2=1090,1091,1092, &end # # 15 ILE QG2 19 GLY HN 8.06 596 &rst ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56, igr1= 186, 187, 188, &end # # 37 ILE QG2 41 GLY HN 8.06 596 &rst ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56, igr1= 468, 469, 470, &end # # 59 ILE QG2 63 GLY HN 8.06 596 &rst ixpk= 0, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56, igr1= 750, 751, 752, &end # # 81 ILE QG2 85 GLY HN 8.06 596 &rst ixpk= 0, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56, igr1=1032,1033,1034, &end # # 15 ILE QG2 21 HIS HD2 6.53 541 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 186, 187, 188, &end # # 37 ILE QG2 43 HIS HD2 6.53 541 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 468, 469, 470, &end # # 59 ILE QG2 65 HIS HD2 6.53 541 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 750, 751, 752, &end # # 81 ILE QG2 87 HIS HD2 6.53 541 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1=1032,1033,1034, &end # # 15 ILE HG12 15 ILE HG13 3.50 207 &rst ixpk= 0, nxpk= 0, iat= 190, 191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 37 ILE HG12 37 ILE HG13 3.50 207 &rst ixpk= 0, nxpk= 0, iat= 472, 473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 ILE HG12 59 ILE HG13 3.50 207 &rst ixpk= 0, nxpk= 0, iat= 754, 755, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 81 ILE HG12 81 ILE HG13 3.50 207 &rst ixpk= 0, nxpk= 0, iat=1036,1037, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 15 ILE QG1 15 ILE QD1 3.74 194 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr1= 190, 191, igr2= 193, 194, 195, &end # # 37 ILE QG1 37 ILE QD1 3.74 194 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr1= 472, 473, igr2= 475, 476, 477, &end # # 59 ILE QG1 59 ILE QD1 3.74 194 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr1= 754, 755, igr2= 757, 758, 759, &end # # 81 ILE QG1 81 ILE QD1 3.74 194 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr1=1036,1037, igr2=1039,1040,1041, &end # # 15 ILE QG1 16 ILE HN 6.50 269 &rst ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 190, 191, &end # # 37 ILE QG1 38 ILE HN 6.50 269 &rst ixpk= 0, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 472, 473, &end # # 59 ILE QG1 60 ILE HN 6.50 269 &rst ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 754, 755, &end # # 81 ILE QG1 82 ILE HN 6.50 269 &rst ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1=1036,1037, &end # # 15 ILE QG1 16 ILE QG1 8.50 628 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00, igr1= 190, 191, igr2= 209, 210, &end # # 37 ILE QG1 38 ILE QG1 8.50 628 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00, igr1= 472, 473, igr2= 491, 492, &end # # 59 ILE QG1 60 ILE QG1 8.50 628 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00, igr1= 754, 755, igr2= 773, 774, &end # # 81 ILE QG1 82 ILE QG1 8.50 628 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00, igr1=1036,1037, igr2=1055,1056, &end # # 15 ILE QD1 16 ILE HN 7.13 260 &rst ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, igr1= 193, 194, 195, &end # # 37 ILE QD1 38 ILE HN 7.13 260 &rst ixpk= 0, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, igr1= 475, 476, 477, &end # # 59 ILE QD1 60 ILE HN 7.13 260 &rst ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, igr1= 757, 758, 759, &end # # 81 ILE QD1 82 ILE HN 7.13 260 &rst ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, igr1=1039,1040,1041, &end # # 15 ILE QD1 21 HIS HD2 7.53 543 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 193, 194, 195, &end # # 37 ILE QD1 43 HIS HD2 7.53 543 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 475, 476, 477, &end # # 59 ILE QD1 65 HIS HD2 7.53 543 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 757, 758, 759, &end # # 81 ILE QD1 87 HIS HD2 7.53 543 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1=1039,1040,1041, &end # # 16 ILE HN 16 ILE HA 3.27 36 &rst ixpk= 0, nxpk= 0, iat= 199, 201, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end # # 38 ILE HN 38 ILE HA 3.27 36 &rst ixpk= 0, nxpk= 0, iat= 481, 483, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end # # 60 ILE HN 60 ILE HA 3.27 36 &rst ixpk= 0, nxpk= 0, iat= 763, 765, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end # # 82 ILE HN 82 ILE HA 3.27 36 &rst ixpk= 0, nxpk= 0, iat=1045,1047, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end # # 16 ILE HN 16 ILE HB 2.99 264 &rst ixpk= 0, nxpk= 0, iat= 199, 203, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 38 ILE HN 38 ILE HB 2.99 264 &rst ixpk= 0, nxpk= 0, iat= 481, 485, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 60 ILE HN 60 ILE HB 2.99 264 &rst ixpk= 0, nxpk= 0, iat= 763, 767, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 82 ILE HN 82 ILE HB 2.99 264 &rst ixpk= 0, nxpk= 0, iat=1045,1049, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 16 ILE HN 16 ILE QG2 5.57 259 &rst ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 205, 206, 207, &end # # 38 ILE HN 38 ILE QG2 5.57 259 &rst ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 487, 488, 489, &end # # 60 ILE HN 60 ILE QG2 5.57 259 &rst ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 769, 770, 771, &end # # 82 ILE HN 82 ILE QG2 5.57 259 &rst ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2=1051,1052,1053, &end # # 16 ILE HN 16 ILE QG1 4.47 278 &rst ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2= 209, 210, &end # # 38 ILE HN 38 ILE QG1 4.47 278 &rst ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2= 491, 492, &end # # 60 ILE HN 60 ILE QG1 4.47 278 &rst ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2= 773, 774, &end # # 82 ILE HN 82 ILE QG1 4.47 278 &rst ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2=1055,1056, &end # # 16 ILE HN 16 ILE QD1 5.85 283 &rst ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2= 212, 213, 214, &end # # 38 ILE HN 38 ILE QD1 5.85 283 &rst ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2= 494, 495, 496, &end # # 60 ILE HN 60 ILE QD1 5.85 283 &rst ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2= 776, 777, 778, &end # # 82 ILE HN 82 ILE QD1 5.85 283 &rst ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2=1058,1059,1060, &end # # 16 ILE HN 17 LYS HN 4.00 308 &rst ixpk= 0, nxpk= 0, iat= 199, 218, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 38 ILE HN 39 LYS HN 4.00 308 &rst ixpk= 0, nxpk= 0, iat= 481, 500, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 60 ILE HN 61 LYS HN 4.00 308 &rst ixpk= 0, nxpk= 0, iat= 763, 782, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 82 ILE HN 83 LYS HN 4.00 308 &rst ixpk= 0, nxpk= 0, iat=1045,1064, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 16 ILE HN 17 LYS QB 6.50 308 &rst ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 222, 223, &end # # 38 ILE HN 39 LYS QB 6.50 308 &rst ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 504, 505, &end # # 60 ILE HN 61 LYS QB 6.50 308 &rst ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 786, 787, &end # # 82 ILE HN 83 LYS QB 6.50 308 &rst ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2=1068,1069, &end # # 16 ILE HN 18 ALA HN 5.50 469 &rst ixpk= 0, nxpk= 0, iat= 199, 240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 38 ILE HN 40 ALA HN 5.50 469 &rst ixpk= 0, nxpk= 0, iat= 481, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 60 ILE HN 62 ALA HN 5.50 469 &rst ixpk= 0, nxpk= 0, iat= 763, 804, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 82 ILE HN 84 ALA HN 5.50 469 &rst ixpk= 0, nxpk= 0, iat=1045,1086, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 16 ILE HN 19 GLY HN 7.00 530 &rst ixpk= 0, nxpk= 0, iat= 199, 250, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 38 ILE HN 41 GLY HN 7.00 530 &rst ixpk= 0, nxpk= 0, iat= 481, 532, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 60 ILE HN 63 GLY HN 7.00 530 &rst ixpk= 0, nxpk= 0, iat= 763, 814, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 82 ILE HN 85 GLY HN 7.00 530 &rst ixpk= 0, nxpk= 0, iat=1045,1096, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 16 ILE HN 21 HIS HD2 7.00 529 &rst ixpk= 0, nxpk= 0, iat= 199, 277, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 38 ILE HN 43 HIS HD2 7.00 529 &rst ixpk= 0, nxpk= 0, iat= 481, 559, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 60 ILE HN 65 HIS HD2 7.00 529 &rst ixpk= 0, nxpk= 0, iat= 763, 841, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 82 ILE HN 87 HIS HD2 7.00 529 &rst ixpk= 0, nxpk= 0, iat=1045,1123, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 16 ILE HA 16 ILE HB 3.83 271 &rst ixpk= 0, nxpk= 0, iat= 201, 203, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 38 ILE HA 38 ILE HB 3.83 271 &rst ixpk= 0, nxpk= 0, iat= 483, 485, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 60 ILE HA 60 ILE HB 3.83 271 &rst ixpk= 0, nxpk= 0, iat= 765, 767, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 82 ILE HA 82 ILE HB 3.83 271 &rst ixpk= 0, nxpk= 0, iat=1047,1049, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 16 ILE HA 16 ILE QG2 4.58 135 &rst ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2= 205, 206, 207, &end # # 38 ILE HA 38 ILE QG2 4.58 135 &rst ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2= 487, 488, 489, &end # # 60 ILE HA 60 ILE QG2 4.58 135 &rst ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2= 769, 770, 771, &end # # 82 ILE HA 82 ILE QG2 4.58 135 &rst ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=1051,1052,1053, &end # # 16 ILE HA 16 ILE QG1 3.92 286 &rst ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2= 209, 210, &end # # 38 ILE HA 38 ILE QG1 3.92 286 &rst ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2= 491, 492, &end # # 60 ILE HA 60 ILE QG1 3.92 286 &rst ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2= 773, 774, &end # # 82 ILE HA 82 ILE QG1 3.92 286 &rst ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2=1055,1056, &end # # 16 ILE HA 16 ILE QD1 5.23 186 &rst ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2= 212, 213, 214, &end # # 38 ILE HA 38 ILE QD1 5.23 186 &rst ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2= 494, 495, 496, &end # # 60 ILE HA 60 ILE QD1 5.23 186 &rst ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2= 776, 777, 778, &end # # 82 ILE HA 82 ILE QD1 5.23 186 &rst ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2=1058,1059,1060, &end # # 16 ILE HA 17 LYS HN 4.67 34 &rst ixpk= 0, nxpk= 0, iat= 201, 218, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 38 ILE HA 39 LYS HN 4.67 34 &rst ixpk= 0, nxpk= 0, iat= 483, 500, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 60 ILE HA 61 LYS HN 4.67 34 &rst ixpk= 0, nxpk= 0, iat= 765, 782, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 82 ILE HA 83 LYS HN 4.67 34 &rst ixpk= 0, nxpk= 0, iat=1047,1064, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 16 ILE HA 19 GLY HN 5.50 37 &rst ixpk= 0, nxpk= 0, iat= 201, 250, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 38 ILE HA 41 GLY HN 5.50 37 &rst ixpk= 0, nxpk= 0, iat= 483, 532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 60 ILE HA 63 GLY HN 5.50 37 &rst ixpk= 0, nxpk= 0, iat= 765, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 82 ILE HA 85 GLY HN 5.50 37 &rst ixpk= 0, nxpk= 0, iat=1047,1096, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 16 ILE HA 21 HIS QB 5.50 609 &rst ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 268, 269, &end # # 38 ILE HA 43 HIS QB 5.50 609 &rst ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 550, 551, &end # # 60 ILE HA 65 HIS QB 5.50 609 &rst ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 832, 833, &end # # 82 ILE HA 87 HIS QB 5.50 609 &rst ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2=1114,1115, &end # # 16 ILE HA 21 HIS HN 6.00 532 &rst ixpk= 0, nxpk= 0, iat= 201, 264, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 38 ILE HA 43 HIS HN 6.00 532 &rst ixpk= 0, nxpk= 0, iat= 483, 546, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 60 ILE HA 65 HIS HN 6.00 532 &rst ixpk= 0, nxpk= 0, iat= 765, 828, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 82 ILE HA 87 HIS HN 6.00 532 &rst ixpk= 0, nxpk= 0, iat=1047,1110, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 16 ILE HA 21 HIS HD2 4.50 532 &rst ixpk= 0, nxpk= 0, iat= 201, 277, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 38 ILE HA 43 HIS HD2 4.50 532 &rst ixpk= 0, nxpk= 0, iat= 483, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 60 ILE HA 65 HIS HD2 4.50 532 &rst ixpk= 0, nxpk= 0, iat= 765, 841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 82 ILE HA 87 HIS HD2 4.50 532 &rst ixpk= 0, nxpk= 0, iat=1047,1123, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 16 ILE HB 16 ILE QG2 3.51 126 &rst ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2= 205, 206, 207, &end # # 38 ILE HB 38 ILE QG2 3.51 126 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2= 487, 488, 489, &end # # 60 ILE HB 60 ILE QG2 3.51 126 &rst ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2= 769, 770, 771, &end # # 82 ILE HB 82 ILE QG2 3.51 126 &rst ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2=1051,1052,1053, &end # # 16 ILE HB 16 ILE QG1 3.50 289 &rst ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 209, 210, &end # # 38 ILE HB 38 ILE QG1 3.50 289 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 491, 492, &end # # 60 ILE HB 60 ILE QG1 3.50 289 &rst ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 773, 774, &end # # 82 ILE HB 82 ILE QG1 3.50 289 &rst ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2=1055,1056, &end # # 16 ILE HB 16 ILE QD1 4.48 299 &rst ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2= 212, 213, 214, &end # # 38 ILE HB 38 ILE QD1 4.48 299 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2= 494, 495, 496, &end # # 60 ILE HB 60 ILE QD1 4.48 299 &rst ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2= 776, 777, 778, &end # # 82 ILE HB 82 ILE QD1 4.48 299 &rst ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2=1058,1059,1060, &end # # 16 ILE HB 17 LYS HN 3.51 314 &rst ixpk= 0, nxpk= 0, iat= 203, 218, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 38 ILE HB 39 LYS HN 3.51 314 &rst ixpk= 0, nxpk= 0, iat= 485, 500, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 60 ILE HB 61 LYS HN 3.51 314 &rst ixpk= 0, nxpk= 0, iat= 767, 782, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 82 ILE HB 83 LYS HN 3.51 314 &rst ixpk= 0, nxpk= 0, iat=1049,1064, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 16 ILE HB 17 LYS HA 6.51 314 &rst ixpk= 0, nxpk= 0, iat= 203, 220, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, &end # # 38 ILE HB 39 LYS HA 6.51 314 &rst ixpk= 0, nxpk= 0, iat= 485, 502, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, &end # # 60 ILE HB 61 LYS HA 6.51 314 &rst ixpk= 0, nxpk= 0, iat= 767, 784, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, &end # # 82 ILE HB 83 LYS HA 6.51 314 &rst ixpk= 0, nxpk= 0, iat=1049,1066, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, &end # # 16 ILE HB 18 ALA HN 6.50 323 &rst ixpk= 0, nxpk= 0, iat= 203, 240, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 38 ILE HB 40 ALA HN 6.50 323 &rst ixpk= 0, nxpk= 0, iat= 485, 522, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 60 ILE HB 62 ALA HN 6.50 323 &rst ixpk= 0, nxpk= 0, iat= 767, 804, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 82 ILE HB 84 ALA HN 6.50 323 &rst ixpk= 0, nxpk= 0, iat=1049,1086, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 16 ILE HB 21 HIS HD2 7.50 538 &rst ixpk= 0, nxpk= 0, iat= 203, 277, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 38 ILE HB 43 HIS HD2 7.50 538 &rst ixpk= 0, nxpk= 0, iat= 485, 559, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 60 ILE HB 65 HIS HD2 7.50 538 &rst ixpk= 0, nxpk= 0, iat= 767, 841, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 82 ILE HB 87 HIS HD2 7.50 538 &rst ixpk= 0, nxpk= 0, iat=1049,1123, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 16 ILE QG2 16 ILE QG1 4.53 293 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 205, 206, 207, igr2= 209, 210, &end # # 38 ILE QG2 38 ILE QG1 4.53 293 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 487, 488, 489, igr2= 491, 492, &end # # 60 ILE QG2 60 ILE QG1 4.53 293 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 769, 770, 771, igr2= 773, 774, &end # # 82 ILE QG2 82 ILE QG1 4.53 293 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1051,1052,1053, igr2=1055,1056, &end # # 16 ILE QG2 16 ILE QD1 4.48 119 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1= 205, 206, 207, igr2= 212, 213, 214, &end # # 38 ILE QG2 38 ILE QD1 4.48 119 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1= 487, 488, 489, igr2= 494, 495, 496, &end # # 60 ILE QG2 60 ILE QD1 4.48 119 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1= 769, 770, 771, igr2= 776, 777, 778, &end # # 82 ILE QG2 82 ILE QD1 4.48 119 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1=1051,1052,1053, igr2=1058,1059,1060, &end # # 16 ILE QG2 17 LYS HN 4.49 305 &rst ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 205, 206, 207, &end # # 38 ILE QG2 39 LYS HN 4.49 305 &rst ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 487, 488, 489, &end # # 60 ILE QG2 61 LYS HN 4.49 305 &rst ixpk= 0, nxpk= 0, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 769, 770, 771, &end # # 82 ILE QG2 83 LYS HN 4.49 305 &rst ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1051,1052,1053, &end # # 16 ILE QG2 17 LYS HA 5.05 270 &rst ixpk= 0, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 205, 206, 207, &end # # 38 ILE QG2 39 LYS HA 5.05 270 &rst ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 487, 488, 489, &end # # 60 ILE QG2 61 LYS HA 5.05 270 &rst ixpk= 0, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 769, 770, 771, &end # # 82 ILE QG2 83 LYS HA 5.05 270 &rst ixpk= 0, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1051,1052,1053, &end # # 16 ILE QG2 17 LYS QB 7.05 270 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr1= 205, 206, 207, igr2= 222, 223, &end # # 38 ILE QG2 39 LYS QB 7.05 270 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr1= 487, 488, 489, igr2= 504, 505, &end # # 60 ILE QG2 61 LYS QB 7.05 270 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr1= 769, 770, 771, igr2= 786, 787, &end # # 82 ILE QG2 83 LYS QB 7.05 270 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr1=1051,1052,1053, igr2=1068,1069, &end # # 16 ILE QG2 21 HIS HN 7.00 479 &rst ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 205, 206, 207, &end # # 38 ILE QG2 43 HIS HN 7.00 479 &rst ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 487, 488, 489, &end # # 60 ILE QG2 65 HIS HN 7.00 479 &rst ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 769, 770, 771, &end # # 82 ILE QG2 87 HIS HN 7.00 479 &rst ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1=1051,1052,1053, &end # # 16 ILE QG2 87 HIS HN 8.00 479 &rst ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 205, 206, 207, &end # # 38 ILE QG2 65 HIS HN 8.00 479 &rst ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 487, 488, 489, &end # # 60 ILE QG2 43 HIS HN 8.00 479 &rst ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 769, 770, 771, &end # # 82 ILE QG2 21 HIS HN 8.00 479 &rst ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1=1051,1052,1053, &end # # 16 ILE QG2 21 HIS QB 5.53 589 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 205, 206, 207, igr2= 268, 269, &end # # 38 ILE QG2 43 HIS QB 5.53 589 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 487, 488, 489, igr2= 550, 551, &end # # 60 ILE QG2 65 HIS QB 5.53 589 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 769, 770, 771, igr2= 832, 833, &end # # 82 ILE QG2 87 HIS QB 5.53 589 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1=1051,1052,1053, igr2=1114,1115, &end # # 16 ILE QG2 21 HIS HD2 6.53 515 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 205, 206, 207, &end # # 38 ILE QG2 43 HIS HD2 6.53 515 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 487, 488, 489, &end # # 60 ILE QG2 65 HIS HD2 6.53 515 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 769, 770, 771, &end # # 82 ILE QG2 87 HIS HD2 6.53 515 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1=1051,1052,1053, &end # # 16 ILE HG12 16 ILE HG13 3.50 298 &rst ixpk= 0, nxpk= 0, iat= 209, 210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 38 ILE HG12 38 ILE HG13 3.50 298 &rst ixpk= 0, nxpk= 0, iat= 491, 492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 60 ILE HG12 60 ILE HG13 3.50 298 &rst ixpk= 0, nxpk= 0, iat= 773, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 82 ILE HG12 82 ILE HG13 3.50 298 &rst ixpk= 0, nxpk= 0, iat=1055,1056, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 16 ILE QG1 16 ILE QD1 3.49 291 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr1= 209, 210, igr2= 212, 213, 214, &end # # 38 ILE QG1 38 ILE QD1 3.49 291 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr1= 491, 492, igr2= 494, 495, 496, &end # # 60 ILE QG1 60 ILE QD1 3.49 291 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr1= 773, 774, igr2= 776, 777, 778, &end # # 82 ILE QG1 82 ILE QD1 3.49 291 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr1=1055,1056, igr2=1058,1059,1060, &end # # 16 ILE QG1 17 LYS HN 5.50 316 &rst ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 209, 210, &end # # 38 ILE QG1 39 LYS HN 5.50 316 &rst ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 491, 492, &end # # 60 ILE QG1 61 LYS HN 5.50 316 &rst ixpk= 0, nxpk= 0, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 773, 774, &end # # 82 ILE QG1 83 LYS HN 5.50 316 &rst ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1=1055,1056, &end # # 16 ILE QG1 21 HIS HD2 7.00 517 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 209, 210, &end # # 38 ILE QG1 43 HIS HD2 7.00 517 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 491, 492, &end # # 60 ILE QG1 65 HIS HD2 7.00 517 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 773, 774, &end # # 82 ILE QG1 87 HIS HD2 7.00 517 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1=1055,1056, &end # # 16 ILE QG1 21 HIS QB 7.50 637 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 209, 210, igr2= 268, 269, &end # # 38 ILE QG1 43 HIS QB 7.50 637 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 491, 492, igr2= 550, 551, &end # # 60 ILE QG1 65 HIS QB 7.50 637 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 773, 774, igr2= 832, 833, &end # # 82 ILE QG1 87 HIS QB 7.50 637 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1=1055,1056, igr2=1114,1115, &end # # 16 ILE QD1 17 LYS HN 6.47 304 &rst ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1= 212, 213, 214, &end # # 38 ILE QD1 39 LYS HN 6.47 304 &rst ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1= 494, 495, 496, &end # # 60 ILE QD1 61 LYS HN 6.47 304 &rst ixpk= 0, nxpk= 0, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1= 776, 777, 778, &end # # 82 ILE QD1 83 LYS HN 6.47 304 &rst ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1=1058,1059,1060, &end # # 16 ILE QD1 21 HIS QB 6.00 605 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 212, 213, 214, igr2= 268, 269, &end # # 38 ILE QD1 43 HIS QB 6.00 605 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 494, 495, 496, igr2= 550, 551, &end # # 60 ILE QD1 65 HIS QB 6.00 605 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 776, 777, 778, igr2= 832, 833, &end # # 82 ILE QD1 87 HIS QB 6.00 605 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1058,1059,1060, igr2=1114,1115, &end # # 16 ILE QD1 21 HIS HD2 5.53 509 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 212, 213, 214, &end # # 38 ILE QD1 43 HIS HD2 5.53 509 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 494, 495, 496, &end # # 60 ILE QD1 65 HIS HD2 5.53 509 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 776, 777, 778, &end # # 82 ILE QD1 87 HIS HD2 5.53 509 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1=1058,1059,1060, &end # # 17 LYS HN 17 LYS HA 3.50 17 &rst ixpk= 0, nxpk= 0, iat= 218, 220, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 39 LYS HN 39 LYS HA 3.50 17 &rst ixpk= 0, nxpk= 0, iat= 500, 502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 61 LYS HN 61 LYS HA 3.50 17 &rst ixpk= 0, nxpk= 0, iat= 782, 784, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 83 LYS HN 83 LYS HA 3.50 17 &rst ixpk= 0, nxpk= 0, iat=1064,1066, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 17 LYS HN 17 LYS QB 4.02 330 &rst ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2= 222, 223, &end # # 39 LYS HN 39 LYS QB 4.02 330 &rst ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2= 504, 505, &end # # 61 LYS HN 61 LYS QB 4.02 330 &rst ixpk= 0, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2= 786, 787, &end # # 83 LYS HN 83 LYS QB 4.02 330 &rst ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2=1068,1069, &end # # 17 LYS HN 17 LYS QD 5.50 333 &rst ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 228, 229, &end # # 39 LYS HN 39 LYS QD 5.50 333 &rst ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 510, 511, &end # # 61 LYS HN 61 LYS QD 5.50 333 &rst ixpk= 0, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 792, 793, &end # # 83 LYS HN 83 LYS QD 5.50 333 &rst ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2=1074,1075, &end # # 17 LYS HN 17 LYS QE 7.50 313 &rst ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 231, 232, &end # # 39 LYS HN 39 LYS QE 7.50 313 &rst ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 513, 514, &end # # 61 LYS HN 61 LYS QE 7.50 313 &rst ixpk= 0, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 795, 796, &end # # 83 LYS HN 83 LYS QE 7.50 313 &rst ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2=1077,1078, &end # # 17 LYS HN 18 ALA HN 4.48 245 &rst ixpk= 0, nxpk= 0, iat= 218, 240, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 39 LYS HN 40 ALA HN 4.48 245 &rst ixpk= 0, nxpk= 0, iat= 500, 522, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 61 LYS HN 62 ALA HN 4.48 245 &rst ixpk= 0, nxpk= 0, iat= 782, 804, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 83 LYS HN 84 ALA HN 4.48 245 &rst ixpk= 0, nxpk= 0, iat=1064,1086, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 17 LYS HN 19 GLY HN 6.50 466 &rst ixpk= 0, nxpk= 0, iat= 218, 250, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 39 LYS HN 41 GLY HN 6.50 466 &rst ixpk= 0, nxpk= 0, iat= 500, 532, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 61 LYS HN 63 GLY HN 6.50 466 &rst ixpk= 0, nxpk= 0, iat= 782, 814, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 83 LYS HN 85 GLY HN 6.50 466 &rst ixpk= 0, nxpk= 0, iat=1064,1096, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 17 LYS HA 17 LYS QB 3.50 327 &rst ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 222, 223, &end # # 39 LYS HA 39 LYS QB 3.50 327 &rst ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 504, 505, &end # # 61 LYS HA 61 LYS QB 3.50 327 &rst ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 786, 787, &end # # 83 LYS HA 83 LYS QB 3.50 327 &rst ixpk= 0, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2=1068,1069, &end # # 17 LYS HA 17 LYS QD 5.38 169 &rst ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2= 228, 229, &end # # 39 LYS HA 39 LYS QD 5.38 169 &rst ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2= 510, 511, &end # # 61 LYS HA 61 LYS QD 5.38 169 &rst ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2= 792, 793, &end # # 83 LYS HA 83 LYS QD 5.38 169 &rst ixpk= 0, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2=1074,1075, &end # # 17 LYS QB 18 ALA HN 4.50 329 &rst ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 222, 223, &end # # 39 LYS QB 40 ALA HN 4.50 329 &rst ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 504, 505, &end # # 61 LYS QB 62 ALA HN 4.50 329 &rst ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 786, 787, &end # # 83 LYS QB 84 ALA HN 4.50 329 &rst ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1=1068,1069, &end # # 17 LYS QD 17 LYS QE 3.49 320 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr1= 228, 229, igr2= 231, 232, &end # # 39 LYS QD 39 LYS QE 3.49 320 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr1= 510, 511, igr2= 513, 514, &end # # 61 LYS QD 61 LYS QE 3.49 320 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr1= 792, 793, igr2= 795, 796, &end # # 83 LYS QD 83 LYS QE 3.49 320 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr1=1074,1075, igr2=1077,1078, &end # # 17 LYS QD 18 ALA HN 6.47 163 &rst ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1= 228, 229, &end # # 39 LYS QD 40 ALA HN 6.47 163 &rst ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1= 510, 511, &end # # 61 LYS QD 62 ALA HN 6.47 163 &rst ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1= 792, 793, &end # # 83 LYS QD 84 ALA HN 6.47 163 &rst ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1=1074,1075, &end # # 17 LYS QD 18 ALA QB 8.00 491 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 228, 229, igr2= 244, 245, 246, &end # # 39 LYS QD 40 ALA QB 8.00 491 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 510, 511, igr2= 526, 527, 528, &end # # 61 LYS QD 62 ALA QB 8.00 491 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 792, 793, igr2= 808, 809, 810, &end # # 83 LYS QD 84 ALA QB 8.00 491 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1=1074,1075, igr2=1090,1091,1092, &end # # 17 LYS QE 18 ALA HN 8.00 335 &rst ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 231, 232, &end # # 39 LYS QE 40 ALA HN 8.00 335 &rst ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 513, 514, &end # # 61 LYS QE 62 ALA HN 8.00 335 &rst ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 795, 796, &end # # 83 LYS QE 84 ALA HN 8.00 335 &rst ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1=1077,1078, &end # # 18 ALA HN 18 ALA HA 3.53 146 &rst ixpk= 0, nxpk= 0, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 40 ALA HN 40 ALA HA 3.53 146 &rst ixpk= 0, nxpk= 0, iat= 522, 524, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 62 ALA HN 62 ALA HA 3.53 146 &rst ixpk= 0, nxpk= 0, iat= 804, 806, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 84 ALA HN 84 ALA HA 3.53 146 &rst ixpk= 0, nxpk= 0, iat=1086,1088, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 18 ALA HN 18 ALA QB 3.43 141 &rst ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr2= 244, 245, 246, &end # # 40 ALA HN 40 ALA QB 3.43 141 &rst ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr2= 526, 527, 528, &end # # 62 ALA HN 62 ALA QB 3.43 141 &rst ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr2= 808, 809, 810, &end # # 84 ALA HN 84 ALA QB 3.43 141 &rst ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr2=1090,1091,1092, &end # # 18 ALA HN 19 GLY HN 3.50 241 &rst ixpk= 0, nxpk= 0, iat= 240, 250, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 40 ALA HN 41 GLY HN 3.50 241 &rst ixpk= 0, nxpk= 0, iat= 522, 532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 62 ALA HN 63 GLY HN 3.50 241 &rst ixpk= 0, nxpk= 0, iat= 804, 814, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 84 ALA HN 85 GLY HN 3.50 241 &rst ixpk= 0, nxpk= 0, iat=1086,1096, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 18 ALA HN 19 GLY QA 6.00 499 &rst ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 252, 253, &end # # 40 ALA HN 41 GLY QA 6.00 499 &rst ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 534, 535, &end # # 62 ALA HN 63 GLY QA 6.00 499 &rst ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 816, 817, &end # # 84 ALA HN 85 GLY QA 6.00 499 &rst ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1098,1099, &end # # 18 ALA HN 20 GLY HN 7.00 467 &rst ixpk= 0, nxpk= 0, iat= 240, 257, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 40 ALA HN 42 GLY HN 7.00 467 &rst ixpk= 0, nxpk= 0, iat= 522, 539, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 62 ALA HN 64 GLY HN 7.00 467 &rst ixpk= 0, nxpk= 0, iat= 804, 821, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 84 ALA HN 86 GLY HN 7.00 467 &rst ixpk= 0, nxpk= 0, iat=1086,1103, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 18 ALA HA 18 ALA QB 3.50 171 &rst ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 244, 245, 246, &end # # 40 ALA HA 40 ALA QB 3.50 171 &rst ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 526, 527, 528, &end # # 62 ALA HA 62 ALA QB 3.50 171 &rst ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 808, 809, 810, &end # # 84 ALA HA 84 ALA QB 3.50 171 &rst ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2=1090,1091,1092, &end # # 18 ALA HA 20 GLY HN 7.00 16 &rst ixpk= 0, nxpk= 0, iat= 242, 257, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 40 ALA HA 42 GLY HN 7.00 16 &rst ixpk= 0, nxpk= 0, iat= 524, 539, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 62 ALA HA 64 GLY HN 7.00 16 &rst ixpk= 0, nxpk= 0, iat= 806, 821, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 84 ALA HA 86 GLY HN 7.00 16 &rst ixpk= 0, nxpk= 0, iat=1088,1103, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 18 ALA HA 21 HIS HD2 5.50 520 &rst ixpk= 0, nxpk= 0, iat= 242, 277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 40 ALA HA 43 HIS HD2 5.50 520 &rst ixpk= 0, nxpk= 0, iat= 524, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 62 ALA HA 65 HIS HD2 5.50 520 &rst ixpk= 0, nxpk= 0, iat= 806, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 84 ALA HA 87 HIS HD2 5.50 520 &rst ixpk= 0, nxpk= 0, iat=1088,1123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 18 ALA QB 19 GLY HN 4.50 244 &rst ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 244, 245, 246, &end # # 40 ALA QB 41 GLY HN 4.50 244 &rst ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 526, 527, 528, &end # # 62 ALA QB 63 GLY HN 4.50 244 &rst ixpk= 0, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 808, 809, 810, &end # # 84 ALA QB 85 GLY HN 4.50 244 &rst ixpk= 0, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1=1090,1091,1092, &end # # 18 ALA QB 20 GLY HN 7.03 395 &rst ixpk= 0, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 244, 245, 246, &end # # 40 ALA QB 42 GLY HN 7.03 395 &rst ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 526, 527, 528, &end # # 62 ALA QB 64 GLY HN 7.03 395 &rst ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 808, 809, 810, &end # # 84 ALA QB 86 GLY HN 7.03 395 &rst ixpk= 0, nxpk= 0, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1=1090,1091,1092, &end # # 18 ALA QB 21 HIS HD2 6.83 518 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr1= 244, 245, 246, &end # # 40 ALA QB 43 HIS HD2 6.83 518 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr1= 526, 527, 528, &end # # 62 ALA QB 65 HIS HD2 6.83 518 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr1= 808, 809, 810, &end # # 84 ALA QB 87 HIS HD2 6.83 518 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr1=1090,1091,1092, &end # # 19 GLY HN 19 GLY QA 3.50 48 &rst ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 252, 253, &end # # 41 GLY HN 41 GLY QA 3.50 48 &rst ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 534, 535, &end # # 63 GLY HN 63 GLY QA 3.50 48 &rst ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 816, 817, &end # # 85 GLY HN 85 GLY QA 3.50 48 &rst ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2=1098,1099, &end # # 19 GLY HN 20 GLY HN 4.50 338 &rst ixpk= 0, nxpk= 0, iat= 250, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 41 GLY HN 42 GLY HN 4.50 338 &rst ixpk= 0, nxpk= 0, iat= 532, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 63 GLY HN 64 GLY HN 4.50 338 &rst ixpk= 0, nxpk= 0, iat= 814, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 85 GLY HN 86 GLY HN 4.50 338 &rst ixpk= 0, nxpk= 0, iat=1096,1103, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 19 GLY HN 20 GLY QA 6.09 28 &rst ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2= 259, 260, &end # # 41 GLY HN 42 GLY QA 6.09 28 &rst ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2= 541, 542, &end # # 63 GLY HN 64 GLY QA 6.09 28 &rst ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2= 823, 824, &end # # 85 GLY HN 86 GLY QA 6.09 28 &rst ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2=1105,1106, &end # # 19 GLY HN 21 HIS HN 7.00 339 &rst ixpk= 0, nxpk= 0, iat= 250, 264, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 41 GLY HN 43 HIS HN 7.00 339 &rst ixpk= 0, nxpk= 0, iat= 532, 546, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 63 GLY HN 65 HIS HN 7.00 339 &rst ixpk= 0, nxpk= 0, iat= 814, 828, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 85 GLY HN 87 HIS HN 7.00 339 &rst ixpk= 0, nxpk= 0, iat=1096,1110, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 19 GLY HN 21 HIS HD2 5.50 522 &rst ixpk= 0, nxpk= 0, iat= 250, 277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 41 GLY HN 43 HIS HD2 5.50 522 &rst ixpk= 0, nxpk= 0, iat= 532, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 63 GLY HN 65 HIS HD2 5.50 522 &rst ixpk= 0, nxpk= 0, iat= 814, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 85 GLY HN 87 HIS HD2 5.50 522 &rst ixpk= 0, nxpk= 0, iat=1096,1123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 19 GLY HA1 19 GLY HA2 3.50 238 #This appears to be self-referential: ignoring # # 41 GLY HA1 41 GLY HA2 3.50 238 #This appears to be self-referential: ignoring # # 63 GLY HA1 63 GLY HA2 3.50 238 #This appears to be self-referential: ignoring # # 85 GLY HA1 85 GLY HA2 3.50 238 #This appears to be self-referential: ignoring # # 19 GLY QA 20 GLY HN 3.50 47 &rst ixpk= 0, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr1= 252, 253, &end # # 41 GLY QA 42 GLY HN 3.50 47 &rst ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr1= 534, 535, &end # # 63 GLY QA 64 GLY HN 3.50 47 &rst ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr1= 816, 817, &end # # 85 GLY QA 86 GLY HN 3.50 47 &rst ixpk= 0, nxpk= 0, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr1=1098,1099, &end # # 19 GLY QA 21 HIS HE1 6.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 252, 253, &end # # 41 GLY QA 43 HIS HE1 6.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 534, 535, &end # # 63 GLY QA 65 HIS HE1 6.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 816, 817, &end # # 85 GLY QA 87 HIS HE1 6.50 4 &rst ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1=1098,1099, &end # # 20 GLY HN 20 GLY QA 3.55 341 &rst ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 259, 260, &end # # 42 GLY HN 42 GLY QA 3.55 341 &rst ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 541, 542, &end # # 64 GLY HN 64 GLY QA 3.55 341 &rst ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 823, 824, &end # # 86 GLY HN 86 GLY QA 3.55 341 &rst ixpk= 0, nxpk= 0, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2=1105,1106, &end # # 20 GLY HN 21 HIS HD2 7.00 528 &rst ixpk= 0, nxpk= 0, iat= 257, 277, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 42 GLY HN 43 HIS HD2 7.00 528 &rst ixpk= 0, nxpk= 0, iat= 539, 559, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 64 GLY HN 65 HIS HD2 7.00 528 &rst ixpk= 0, nxpk= 0, iat= 821, 841, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 86 GLY HN 87 HIS HD2 7.00 528 &rst ixpk= 0, nxpk= 0, iat=1103,1123, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 20 GLY QA 21 HIS HN 4.50 234 &rst ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 259, 260, &end # # 42 GLY QA 43 HIS HN 4.50 234 &rst ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 541, 542, &end # # 64 GLY QA 65 HIS HN 4.50 234 &rst ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 823, 824, &end # # 86 GLY QA 87 HIS HN 4.50 234 &rst ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1=1105,1106, &end # # 21 HIS HN 21 HIS HA 3.55 1 &rst ixpk= 0, nxpk= 0, iat= 264, 266, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 43 HIS HN 43 HIS HA 3.55 1 &rst ixpk= 0, nxpk= 0, iat= 546, 548, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 65 HIS HN 65 HIS HA 3.55 1 &rst ixpk= 0, nxpk= 0, iat= 828, 830, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 87 HIS HN 87 HIS HA 3.55 1 &rst ixpk= 0, nxpk= 0, iat=1110,1112, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 21 HIS HN 21 HIS QB 4.00 173 &rst ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 268, 269, &end # # 43 HIS HN 43 HIS QB 4.00 173 &rst ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 550, 551, &end # # 65 HIS HN 65 HIS QB 4.00 173 &rst ixpk= 0, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 832, 833, &end # # 87 HIS HN 87 HIS QB 4.00 173 &rst ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2=1114,1115, &end # # 21 HIS HN 21 HIS HD2 5.50 525 &rst ixpk= 0, nxpk= 0, iat= 264, 277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 43 HIS HN 43 HIS HD2 5.50 525 &rst ixpk= 0, nxpk= 0, iat= 546, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 65 HIS HN 65 HIS HD2 5.50 525 &rst ixpk= 0, nxpk= 0, iat= 828, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 87 HIS HN 87 HIS HD2 5.50 525 &rst ixpk= 0, nxpk= 0, iat=1110,1123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 21 HIS HA 21 HIS QB 3.70 250 &rst ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2= 268, 269, &end # # 43 HIS HA 43 HIS QB 3.70 250 &rst ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2= 550, 551, &end # # 65 HIS HA 65 HIS QB 3.70 250 &rst ixpk= 0, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2= 832, 833, &end # # 87 HIS HA 87 HIS QB 3.70 250 &rst ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2=1114,1115, &end # # 21 HIS HA 21 HIS HD2 6.70 521 &rst ixpk= 0, nxpk= 0, iat= 266, 277, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end # # 43 HIS HA 43 HIS HD2 6.70 521 &rst ixpk= 0, nxpk= 0, iat= 548, 559, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end # # 65 HIS HA 65 HIS HD2 6.70 521 &rst ixpk= 0, nxpk= 0, iat= 830, 841, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end # # 87 HIS HA 87 HIS HD2 6.70 521 &rst ixpk= 0, nxpk= 0, iat=1112,1123, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end # # 21 HIS HB2 21 HIS HB3 3.50 248 &rst ixpk= 0, nxpk= 0, iat= 268, 269, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 43 HIS HB2 43 HIS HB3 3.50 248 &rst ixpk= 0, nxpk= 0, iat= 550, 551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 65 HIS HB2 65 HIS HB3 3.50 248 &rst ixpk= 0, nxpk= 0, iat= 832, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 87 HIS HB2 87 HIS HB3 3.50 248 &rst ixpk= 0, nxpk= 0, iat=1114,1115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 21 HIS QB 21 HIS HD2 4.00 503 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1= 268, 269, &end # # 43 HIS QB 43 HIS HD2 4.00 503 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1= 550, 551, &end # # 65 HIS QB 65 HIS HD2 4.00 503 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1= 832, 833, &end # # 87 HIS QB 87 HIS HD2 4.00 503 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1=1114,1115, &end # # 21 HIS HD2 21 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= 277, 274, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 43 HIS HD2 43 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= 559, 556, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 65 HIS HD2 65 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= 841, 838, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 87 HIS HD2 87 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat=1123,1120, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 2 ALA HN 2 ALA HA 3.50 398 &rst ixpk= 0, nxpk= 0, iat= 8, 10, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2=20.0, rk3=20.0, ir6=1, ialtd=0, &end # # 24 ALA HN 24 ALA HA 3.50 398 &rst ixpk= 0, nxpk= 0, iat= 290, 292, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 46 ALA HN 46 ALA HA 3.50 398 &rst ixpk= 0, nxpk= 0, iat= 572, 574, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 68 ALA HN 68 ALA HA 3.50 398 &rst ixpk= 0, nxpk= 0, iat= 854, 856, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 2 ALA HN 2 ALA QB 4.03 79 &rst ixpk= 0, nxpk= 0, iat= 8, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 12, 13, 14, &end # # 24 ALA HN 24 ALA QB 4.03 79 &rst ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 294, 295, 296, &end # # 46 ALA HN 46 ALA QB 4.03 79 &rst ixpk= 0, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 576, 577, 578, &end # # 68 ALA HN 68 ALA QB 4.03 79 &rst ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 858, 859, 860, &end # # 2 ALA HA 2 ALA QB 3.28 401 &rst ixpk= 0, nxpk= 0, iat= 10, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr2= 12, 13, 14, &end # # 24 ALA HA 24 ALA QB 3.28 401 &rst ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr2= 294, 295, 296, &end # # 46 ALA HA 46 ALA QB 3.28 401 &rst ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr2= 576, 577, 578, &end # # 68 ALA HA 68 ALA QB 3.28 401 &rst ixpk= 0, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr2= 858, 859, 860, &end # # 2 ALA HA 5 ALA HN 6.50 399 &rst ixpk= 0, nxpk= 0, iat= 10, 50, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 24 ALA HA 27 ALA HN 6.50 399 &rst ixpk= 0, nxpk= 0, iat= 292, 332, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 46 ALA HA 49 ALA HN 6.50 399 &rst ixpk= 0, nxpk= 0, iat= 574, 614, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 68 ALA HA 71 ALA HN 6.50 399 &rst ixpk= 0, nxpk= 0, iat= 856, 896, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 2 ALA HA 5 ALA QB 7.00 568 &rst ixpk= 0, nxpk= 0, iat= 10, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr2= 54, 55, 56, &end # # 24 ALA HA 27 ALA QB 7.00 568 &rst ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr2= 336, 337, 338, &end # # 46 ALA HA 49 ALA QB 7.00 568 &rst ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr2= 618, 619, 620, &end # # 68 ALA HA 71 ALA QB 7.00 568 &rst ixpk= 0, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr2= 900, 901, 902, &end # # 2 ALA QB 5 ALA HN 7.00 81 &rst ixpk= 0, nxpk= 0, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 12, 13, 14, &end # # 24 ALA QB 27 ALA HN 7.00 81 &rst ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 294, 295, 296, &end # # 46 ALA QB 49 ALA HN 7.00 81 &rst ixpk= 0, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 576, 577, 578, &end # # 68 ALA QB 71 ALA HN 7.00 81 &rst ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 858, 859, 860, &end # # 3 LYS HN 3 LYS HA 3.50 492 &rst ixpk= 0, nxpk= 0, iat= 18, 20, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 25 LYS HN 25 LYS HA 3.50 492 &rst ixpk= 0, nxpk= 0, iat= 300, 302, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 47 LYS HN 47 LYS HA 3.50 492 &rst ixpk= 0, nxpk= 0, iat= 582, 584, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 69 LYS HN 69 LYS HA 3.50 492 &rst ixpk= 0, nxpk= 0, iat= 864, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 3 LYS HN 4 ALA HN 4.50 492 &rst ixpk= 0, nxpk= 0, iat= 18, 40, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 25 LYS HN 26 ALA HN 4.50 492 &rst ixpk= 0, nxpk= 0, iat= 300, 322, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 47 LYS HN 48 ALA HN 4.50 492 &rst ixpk= 0, nxpk= 0, iat= 582, 604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 69 LYS HN 70 ALA HN 4.50 492 &rst ixpk= 0, nxpk= 0, iat= 864, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 3 LYS HA 3 LYS QB 3.50 490 &rst ixpk= 0, nxpk= 0, iat= 20, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 22, 23, &end # # 25 LYS HA 25 LYS QB 3.50 490 &rst ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 304, 305, &end # # 47 LYS HA 47 LYS QB 3.50 490 &rst ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 586, 587, &end # # 69 LYS HA 69 LYS QB 3.50 490 &rst ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 868, 869, &end # # 3 LYS HA 4 ALA HN 4.00 145 &rst ixpk= 0, nxpk= 0, iat= 20, 40, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 25 LYS HA 26 ALA HN 4.00 145 &rst ixpk= 0, nxpk= 0, iat= 302, 322, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 47 LYS HA 48 ALA HN 4.00 145 &rst ixpk= 0, nxpk= 0, iat= 584, 604, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 69 LYS HA 70 ALA HN 4.00 145 &rst ixpk= 0, nxpk= 0, iat= 866, 886, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 4 ALA HN 4 ALA HA 3.50 144 &rst ixpk= 0, nxpk= 0, iat= 40, 42, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 26 ALA HN 26 ALA HA 3.50 144 &rst ixpk= 0, nxpk= 0, iat= 322, 324, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 48 ALA HN 48 ALA HA 3.50 144 &rst ixpk= 0, nxpk= 0, iat= 604, 606, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 70 ALA HN 70 ALA HA 3.50 144 &rst ixpk= 0, nxpk= 0, iat= 886, 888, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 4 ALA HN 4 ALA QB 4.33 140 &rst ixpk= 0, nxpk= 0, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 44, 45, 46, &end # # 26 ALA HN 26 ALA QB 4.33 140 &rst ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 326, 327, 328, &end # # 48 ALA HN 48 ALA QB 4.33 140 &rst ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 608, 609, 610, &end # # 70 ALA HN 70 ALA QB 4.33 140 &rst ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 890, 891, 892, &end # # 4 ALA HA 4 ALA QB 4.33 149 &rst ixpk= 0, nxpk= 0, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 44, 45, 46, &end # # 26 ALA HA 26 ALA QB 4.33 149 &rst ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 326, 327, 328, &end # # 48 ALA HA 48 ALA QB 4.33 149 &rst ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 608, 609, 610, &end # # 70 ALA HA 70 ALA QB 4.33 149 &rst ixpk= 0, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 890, 891, 892, &end # # 4 ALA HA 5 ALA HN 4.00 2 &rst ixpk= 0, nxpk= 0, iat= 42, 50, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 26 ALA HA 27 ALA HN 4.00 2 &rst ixpk= 0, nxpk= 0, iat= 324, 332, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 48 ALA HA 49 ALA HN 4.00 2 &rst ixpk= 0, nxpk= 0, iat= 606, 614, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 70 ALA HA 71 ALA HN 4.00 2 &rst ixpk= 0, nxpk= 0, iat= 888, 896, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 4 ALA HA 7 ALA HN 5.50 5 &rst ixpk= 0, nxpk= 0, iat= 42, 70, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 26 ALA HA 29 ALA HN 5.50 5 &rst ixpk= 0, nxpk= 0, iat= 324, 352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 48 ALA HA 51 ALA HN 5.50 5 &rst ixpk= 0, nxpk= 0, iat= 606, 634, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 70 ALA HA 73 ALA HN 5.50 5 &rst ixpk= 0, nxpk= 0, iat= 888, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 4 ALA HA 8 ALA HN 7.00 4 &rst ixpk= 0, nxpk= 0, iat= 42, 80, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 26 ALA HA 30 ALA HN 7.00 4 &rst ixpk= 0, nxpk= 0, iat= 324, 362, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 48 ALA HA 52 ALA HN 7.00 4 &rst ixpk= 0, nxpk= 0, iat= 606, 644, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 70 ALA HA 74 ALA HN 7.00 4 &rst ixpk= 0, nxpk= 0, iat= 888, 926, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 4 ALA HA 43 HIS HE1 6.50 4 &rst ixpk= 0, nxpk= 0, iat= 42, 556, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 26 ALA HA 21 HIS HE1 6.50 4 &rst ixpk= 0, nxpk= 0, iat= 324, 274, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 48 ALA HA 87 HIS HE1 6.50 4 &rst ixpk= 0, nxpk= 0, iat= 606,1120, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 70 ALA HA 65 HIS HE1 6.50 4 &rst ixpk= 0, nxpk= 0, iat= 888, 838, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 4 ALA QB 5 ALA HN 4.76 158 &rst ixpk= 0, nxpk= 0, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 44, 45, 46, &end # # 26 ALA QB 27 ALA HN 4.76 158 &rst ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 326, 327, 328, &end # # 48 ALA QB 49 ALA HN 4.76 158 &rst ixpk= 0, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 608, 609, 610, &end # # 70 ALA QB 71 ALA HN 4.76 158 &rst ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 890, 891, 892, &end # # 4 ALA QB 43 HIS HE1 5.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 44, 45, 46, &end # # 26 ALA QB 21 HIS HE1 5.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 326, 327, 328, &end # # 48 ALA QB 87 HIS HE1 5.50 4 &rst ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 608, 609, 610, &end # # 70 ALA QB 65 HIS HE1 5.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 890, 891, 892, &end # # 5 ALA HN 5 ALA HA 3.46 25 &rst ixpk= 0, nxpk= 0, iat= 50, 52, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 27 ALA HN 27 ALA HA 3.46 25 &rst ixpk= 0, nxpk= 0, iat= 332, 334, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 49 ALA HN 49 ALA HA 3.46 25 &rst ixpk= 0, nxpk= 0, iat= 614, 616, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 71 ALA HN 71 ALA HA 3.46 25 &rst ixpk= 0, nxpk= 0, iat= 896, 898, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 5 ALA HN 5 ALA QB 4.54 82 &rst ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2= 54, 55, 56, &end # # 27 ALA HN 27 ALA QB 4.54 82 &rst ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2= 336, 337, 338, &end # # 49 ALA HN 49 ALA QB 4.54 82 &rst ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2= 618, 619, 620, &end # # 71 ALA HN 71 ALA QB 4.54 82 &rst ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2= 900, 901, 902, &end # # 5 ALA HN 6 ALA HN 4.00 150 &rst ixpk= 0, nxpk= 0, iat= 50, 60, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 27 ALA HN 28 ALA HN 4.00 150 &rst ixpk= 0, nxpk= 0, iat= 332, 342, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 49 ALA HN 50 ALA HN 4.00 150 &rst ixpk= 0, nxpk= 0, iat= 614, 624, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 71 ALA HN 72 ALA HN 4.00 150 &rst ixpk= 0, nxpk= 0, iat= 896, 906, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 5 ALA HN 6 ALA HA 6.50 495 &rst ixpk= 0, nxpk= 0, iat= 50, 62, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 27 ALA HN 28 ALA HA 6.50 495 &rst ixpk= 0, nxpk= 0, iat= 332, 344, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 49 ALA HN 50 ALA HA 6.50 495 &rst ixpk= 0, nxpk= 0, iat= 614, 626, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 71 ALA HN 72 ALA HA 6.50 495 &rst ixpk= 0, nxpk= 0, iat= 896, 908, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 5 ALA HN 7 ALA HN 6.00 472 &rst ixpk= 0, nxpk= 0, iat= 50, 70, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 27 ALA HN 29 ALA HN 6.00 472 &rst ixpk= 0, nxpk= 0, iat= 332, 352, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 49 ALA HN 51 ALA HN 6.00 472 &rst ixpk= 0, nxpk= 0, iat= 614, 634, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 71 ALA HN 73 ALA HN 6.00 472 &rst ixpk= 0, nxpk= 0, iat= 896, 916, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 5 ALA HN 8 ALA HN 7.03 489 &rst ixpk= 0, nxpk= 0, iat= 50, 80, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, &end # # 27 ALA HN 30 ALA HN 7.03 489 &rst ixpk= 0, nxpk= 0, iat= 332, 362, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, &end # # 49 ALA HN 52 ALA HN 7.03 489 &rst ixpk= 0, nxpk= 0, iat= 614, 644, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, &end # # 71 ALA HN 74 ALA HN 7.03 489 &rst ixpk= 0, nxpk= 0, iat= 896, 926, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, &end # # 5 ALA HN 8 ALA QB 7.53 489 &rst ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 84, 85, 86, &end # # 27 ALA HN 30 ALA QB 7.53 489 &rst ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 366, 367, 368, &end # # 49 ALA HN 52 ALA QB 7.53 489 &rst ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 648, 649, 650, &end # # 71 ALA HN 74 ALA QB 7.53 489 &rst ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 930, 931, 932, &end # # 5 ALA HN 43 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= 50, 556, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 27 ALA HN 21 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= 332, 274, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 49 ALA HN 87 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= 614,1120, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 71 ALA HN 65 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= 896, 838, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 5 ALA HN 9 ILE QD1 8.03 477 &rst ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 103, 104, 105, &end # # 27 ALA HN 31 ILE QD1 8.03 477 &rst ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 385, 386, 387, &end # # 49 ALA HN 53 ILE QD1 8.03 477 &rst ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 667, 668, 669, &end # # 71 ALA HN 75 ILE QD1 8.03 477 &rst ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 949, 950, 951, &end # # 5 ALA HA 5 ALA QB 3.56 153 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, igr2= 54, 55, 56, &end # # 27 ALA HA 27 ALA QB 3.56 153 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, igr2= 336, 337, 338, &end # # 49 ALA HA 49 ALA QB 3.56 153 &rst ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, igr2= 618, 619, 620, &end # # 71 ALA HA 71 ALA QB 3.56 153 &rst ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, igr2= 900, 901, 902, &end # # 5 ALA HA 6 ALA HN 5.05 383 &rst ixpk= 0, nxpk= 0, iat= 52, 60, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 27 ALA HA 28 ALA HN 5.05 383 &rst ixpk= 0, nxpk= 0, iat= 334, 342, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 49 ALA HA 50 ALA HN 5.05 383 &rst ixpk= 0, nxpk= 0, iat= 616, 624, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 71 ALA HA 72 ALA HN 5.05 383 &rst ixpk= 0, nxpk= 0, iat= 898, 906, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 5 ALA HA 8 ALA HN 5.00 496 &rst ixpk= 0, nxpk= 0, iat= 52, 80, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 27 ALA HA 30 ALA HN 5.00 496 &rst ixpk= 0, nxpk= 0, iat= 334, 362, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 49 ALA HA 52 ALA HN 5.00 496 &rst ixpk= 0, nxpk= 0, iat= 616, 644, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 71 ALA HA 74 ALA HN 5.00 496 &rst ixpk= 0, nxpk= 0, iat= 898, 926, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 5 ALA HA 8 ALA QB 6.55 567 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr2= 84, 85, 86, &end # # 27 ALA HA 30 ALA QB 6.55 567 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr2= 366, 367, 368, &end # # 49 ALA HA 52 ALA QB 6.55 567 &rst ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr2= 648, 649, 650, &end # # 71 ALA HA 74 ALA QB 6.55 567 &rst ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr2= 930, 931, 932, &end # # 5 ALA HA 9 ILE HB 7.50 642 &rst ixpk= 0, nxpk= 0, iat= 52, 94, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 27 ALA HA 31 ILE HB 7.50 642 &rst ixpk= 0, nxpk= 0, iat= 334, 376, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 49 ALA HA 53 ILE HB 7.50 642 &rst ixpk= 0, nxpk= 0, iat= 616, 658, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 71 ALA HA 75 ILE HB 7.50 642 &rst ixpk= 0, nxpk= 0, iat= 898, 940, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 5 ALA HA 9 ILE QD1 7.03 556 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 103, 104, 105, &end # # 27 ALA HA 31 ILE QD1 7.03 556 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 385, 386, 387, &end # # 49 ALA HA 53 ILE QD1 7.03 556 &rst ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 667, 668, 669, &end # # 71 ALA HA 75 ILE QD1 7.03 556 &rst ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 949, 950, 951, &end # # 5 ALA HA 53 ILE QD1 8.53 556 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 667, 668, 669, &end # # 27 ALA HA 75 ILE QD1 8.53 556 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 949, 950, 951, &end # # 49 ALA HA 9 ILE QD1 8.53 556 &rst ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 103, 104, 105, &end # # 71 ALA HA 31 ILE QD1 8.53 556 &rst ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 385, 386, 387, &end # # 5 ALA HA 9 ILE QG1 6.00 633 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 100, 101, &end # # 27 ALA HA 31 ILE QG1 6.00 633 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 382, 383, &end # # 49 ALA HA 53 ILE QG1 6.00 633 &rst ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 664, 665, &end # # 71 ALA HA 75 ILE QG1 6.00 633 &rst ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 946, 947, &end # # 5 ALA HA 53 ILE QG2 8.52 131 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02, igr2= 660, 661, 662, &end # # 27 ALA HA 75 ILE QG2 8.52 131 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02, igr2= 942, 943, 944, &end # # 49 ALA HA 9 ILE QG2 8.52 131 &rst ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02, igr2= 96, 97, 98, &end # # 71 ALA HA 31 ILE QG2 8.52 131 &rst ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02, igr2= 378, 379, 380, &end # # 5 ALA HA 9 ILE QG2 7.32 131 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82, igr2= 96, 97, 98, &end # # 27 ALA HA 31 ILE QG2 7.32 131 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82, igr2= 378, 379, 380, &end # # 49 ALA HA 53 ILE QG2 7.32 131 &rst ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82, igr2= 660, 661, 662, &end # # 71 ALA HA 75 ILE QG2 7.32 131 &rst ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82, igr2= 942, 943, 944, &end # # 5 ALA HA 43 HIS HE1 4.50 4 &rst ixpk= 0, nxpk= 0, iat= 52, 556, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 27 ALA HA 21 HIS HE1 4.50 4 &rst ixpk= 0, nxpk= 0, iat= 334, 274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 49 ALA HA 87 HIS HE1 4.50 4 &rst ixpk= 0, nxpk= 0, iat= 616,1120, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 71 ALA HA 65 HIS HE1 4.50 4 &rst ixpk= 0, nxpk= 0, iat= 898, 838, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 ALA QB 6 ALA HN 5.00 159 &rst ixpk= 0, nxpk= 0, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 54, 55, 56, &end # # 27 ALA QB 28 ALA HN 5.00 159 &rst ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 336, 337, 338, &end # # 49 ALA QB 50 ALA HN 5.00 159 &rst ixpk= 0, nxpk= 0, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 618, 619, 620, &end # # 71 ALA QB 72 ALA HN 5.00 159 &rst ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 900, 901, 902, &end # # 5 ALA QB 6 ALA HA 6.03 386 &rst ixpk= 0, nxpk= 0, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 54, 55, 56, &end # # 27 ALA QB 28 ALA HA 6.03 386 &rst ixpk= 0, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 336, 337, 338, &end # # 49 ALA QB 50 ALA HA 6.03 386 &rst ixpk= 0, nxpk= 0, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 618, 619, 620, &end # # 71 ALA QB 72 ALA HA 6.03 386 &rst ixpk= 0, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 900, 901, 902, &end # # 5 ALA QB 7 ALA HN 7.02 222 &rst ixpk= 0, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr1= 54, 55, 56, &end # # 27 ALA QB 29 ALA HN 7.02 222 &rst ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr1= 336, 337, 338, &end # # 49 ALA QB 51 ALA HN 7.02 222 &rst ixpk= 0, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr1= 618, 619, 620, &end # # 71 ALA QB 73 ALA HN 7.02 222 &rst ixpk= 0, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr1= 900, 901, 902, &end # # 5 ALA QB 9 ILE HA 8.03 644 &rst ixpk= 0, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 54, 55, 56, &end # # 27 ALA QB 31 ILE HA 8.03 644 &rst ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 336, 337, 338, &end # # 49 ALA QB 53 ILE HA 8.03 644 &rst ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 618, 619, 620, &end # # 71 ALA QB 75 ILE HA 8.03 644 &rst ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 900, 901, 902, &end # # 5 ALA QB 9 ILE HB 6.94 647 &rst ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr1= 54, 55, 56, &end # # 27 ALA QB 31 ILE HB 6.94 647 &rst ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr1= 336, 337, 338, &end # # 49 ALA QB 53 ILE HB 6.94 647 &rst ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr1= 618, 619, 620, &end # # 71 ALA QB 75 ILE HB 6.94 647 &rst ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr1= 900, 901, 902, &end # # 5 ALA QB 9 ILE QD1 8.00 580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 54, 55, 56, igr2= 103, 104, 105, &end # # 27 ALA QB 31 ILE QD1 8.00 580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 336, 337, 338, igr2= 385, 386, 387, &end # # 49 ALA QB 53 ILE QD1 8.00 580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 618, 619, 620, igr2= 667, 668, 669, &end # # 71 ALA QB 75 ILE QD1 8.00 580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 900, 901, 902, igr2= 949, 950, 951, &end # # 5 ALA QB 53 ILE QD1 7.80 580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30, igr1= 54, 55, 56, igr2= 667, 668, 669, &end # # 27 ALA QB 75 ILE QD1 7.80 580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30, igr1= 336, 337, 338, igr2= 949, 950, 951, &end # # 49 ALA QB 9 ILE QD1 7.80 580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30, igr1= 618, 619, 620, igr2= 103, 104, 105, &end # # 71 ALA QB 31 ILE QD1 7.80 580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30, igr1= 900, 901, 902, igr2= 385, 386, 387, &end # # 5 ALA QB 9 ILE QG2 8.05 625 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 54, 55, 56, igr2= 96, 97, 98, &end # # 27 ALA QB 31 ILE QG2 8.05 625 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 336, 337, 338, igr2= 378, 379, 380, &end # # 49 ALA QB 53 ILE QG2 8.05 625 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 618, 619, 620, igr2= 660, 661, 662, &end # # 71 ALA QB 75 ILE QG2 8.05 625 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 900, 901, 902, igr2= 942, 943, 944, &end # # 5 ALA QB 53 ILE QG2 8.55 625 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05, igr1= 54, 55, 56, igr2= 660, 661, 662, &end # # 27 ALA QB 75 ILE QG2 8.55 625 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05, igr1= 336, 337, 338, igr2= 942, 943, 944, &end # # 49 ALA QB 9 ILE QG2 8.55 625 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05, igr1= 618, 619, 620, igr2= 96, 97, 98, &end # # 71 ALA QB 31 ILE QG2 8.55 625 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05, igr1= 900, 901, 902, igr2= 378, 379, 380, &end # # 5 ALA QB 10 LYS HN 8.05 625 &rst ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 54, 55, 56, &end # # 27 ALA QB 32 LYS HN 8.05 625 &rst ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 336, 337, 338, &end # # 49 ALA QB 54 LYS HN 8.05 625 &rst ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 618, 619, 620, &end # # 71 ALA QB 76 LYS HN 8.05 625 &rst ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 900, 901, 902, &end # # 5 ALA QB 43 HIS HE1 5.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 54, 55, 56, &end # # 27 ALA QB 21 HIS HE1 5.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 336, 337, 338, &end # # 49 ALA QB 87 HIS HE1 5.50 4 &rst ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 618, 619, 620, &end # # 71 ALA QB 65 HIS HE1 5.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 900, 901, 902, &end # # 6 ALA HN 6 ALA HA 3.52 378 &rst ixpk= 0, nxpk= 0, iat= 60, 62, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 28 ALA HN 28 ALA HA 3.52 378 &rst ixpk= 0, nxpk= 0, iat= 342, 344, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 50 ALA HN 50 ALA HA 3.52 378 &rst ixpk= 0, nxpk= 0, iat= 624, 626, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 72 ALA HN 72 ALA HA 3.52 378 &rst ixpk= 0, nxpk= 0, iat= 906, 908, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 6 ALA HN 6 ALA QB 4.49 58 &rst ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 64, 65, 66, &end # # 28 ALA HN 28 ALA QB 4.49 58 &rst ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 346, 347, 348, &end # # 50 ALA HN 50 ALA QB 4.49 58 &rst ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 628, 629, 630, &end # # 72 ALA HN 72 ALA QB 4.49 58 &rst ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 910, 911, 912, &end # # 6 ALA HN 7 ALA HN 3.50 380 &rst ixpk= 0, nxpk= 0, iat= 60, 70, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 28 ALA HN 29 ALA HN 3.50 380 &rst ixpk= 0, nxpk= 0, iat= 342, 352, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 50 ALA HN 51 ALA HN 3.50 380 &rst ixpk= 0, nxpk= 0, iat= 624, 634, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 72 ALA HN 73 ALA HN 3.50 380 &rst ixpk= 0, nxpk= 0, iat= 906, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 6 ALA HA 6 ALA QB 4.03 384 &rst ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 64, 65, 66, &end # # 28 ALA HA 28 ALA QB 4.03 384 &rst ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 346, 347, 348, &end # # 50 ALA HA 50 ALA QB 4.03 384 &rst ixpk= 0, nxpk= 0, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 628, 629, 630, &end # # 72 ALA HA 72 ALA QB 4.03 384 &rst ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 910, 911, 912, &end # # 6 ALA HA 7 ALA HN 4.42 23 &rst ixpk= 0, nxpk= 0, iat= 62, 70, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 28 ALA HA 29 ALA HN 4.42 23 &rst ixpk= 0, nxpk= 0, iat= 344, 352, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 50 ALA HA 51 ALA HN 4.42 23 &rst ixpk= 0, nxpk= 0, iat= 626, 634, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 72 ALA HA 73 ALA HN 4.42 23 &rst ixpk= 0, nxpk= 0, iat= 908, 916, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 6 ALA HA 9 ILE HB 5.50 388 &rst ixpk= 0, nxpk= 0, iat= 62, 94, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 28 ALA HA 31 ILE HB 5.50 388 &rst ixpk= 0, nxpk= 0, iat= 344, 376, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 50 ALA HA 53 ILE HB 5.50 388 &rst ixpk= 0, nxpk= 0, iat= 626, 658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 72 ALA HA 75 ILE HB 5.50 388 &rst ixpk= 0, nxpk= 0, iat= 908, 940, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 6 ALA HA 9 ILE QD1 7.20 389 &rst ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr2= 103, 104, 105, &end # # 28 ALA HA 31 ILE QD1 7.20 389 &rst ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr2= 385, 386, 387, &end # # 50 ALA HA 53 ILE QD1 7.20 389 &rst ixpk= 0, nxpk= 0, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr2= 667, 668, 669, &end # # 72 ALA HA 75 ILE QD1 7.20 389 &rst ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr2= 949, 950, 951, &end # # 6 ALA HA 9 ILE QG1 8.00 391 &rst ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 100, 101, &end # # 28 ALA HA 31 ILE QG1 8.00 391 &rst ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 382, 383, &end # # 50 ALA HA 53 ILE QG1 8.00 391 &rst ixpk= 0, nxpk= 0, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 664, 665, &end # # 72 ALA HA 75 ILE QG1 8.00 391 &rst ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 946, 947, &end # # 6 ALA HA 9 ILE QG2 7.03 182 &rst ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 96, 97, 98, &end # # 28 ALA HA 31 ILE QG2 7.03 182 &rst ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 378, 379, 380, &end # # 50 ALA HA 53 ILE QG2 7.03 182 &rst ixpk= 0, nxpk= 0, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 660, 661, 662, &end # # 72 ALA HA 75 ILE QG2 7.03 182 &rst ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 942, 943, 944, &end # # 6 ALA HA 10 LYS HN 7.30 377 &rst ixpk= 0, nxpk= 0, iat= 62, 109, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, &end # # 28 ALA HA 32 LYS HN 7.30 377 &rst ixpk= 0, nxpk= 0, iat= 344, 391, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, &end # # 50 ALA HA 54 LYS HN 7.30 377 &rst ixpk= 0, nxpk= 0, iat= 626, 673, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, &end # # 72 ALA HA 76 LYS HN 7.30 377 &rst ixpk= 0, nxpk= 0, iat= 908, 955, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, &end # # 6 ALA QB 7 ALA HN 5.53 382 &rst ixpk= 0, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 64, 65, 66, &end # # 28 ALA QB 29 ALA HN 5.53 382 &rst ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 346, 347, 348, &end # # 50 ALA QB 51 ALA HN 5.53 382 &rst ixpk= 0, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 628, 629, 630, &end # # 72 ALA QB 73 ALA HN 5.53 382 &rst ixpk= 0, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 910, 911, 912, &end # # 7 ALA HN 7 ALA HA 3.50 375 &rst ixpk= 0, nxpk= 0, iat= 70, 72, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 29 ALA HN 29 ALA HA 3.50 375 &rst ixpk= 0, nxpk= 0, iat= 352, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 51 ALA HN 51 ALA HA 3.50 375 &rst ixpk= 0, nxpk= 0, iat= 634, 636, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 73 ALA HN 73 ALA HA 3.50 375 &rst ixpk= 0, nxpk= 0, iat= 916, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 7 ALA HN 7 ALA QB 3.53 221 &rst ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 74, 75, 76, &end # # 29 ALA HN 29 ALA QB 3.53 221 &rst ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 356, 357, 358, &end # # 51 ALA HN 51 ALA QB 3.53 221 &rst ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 638, 639, 640, &end # # 73 ALA HN 73 ALA QB 3.53 221 &rst ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 920, 921, 922, &end # # 7 ALA HN 8 ALA HN 3.50 449 &rst ixpk= 0, nxpk= 0, iat= 70, 80, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 29 ALA HN 30 ALA HN 3.50 449 &rst ixpk= 0, nxpk= 0, iat= 352, 362, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 51 ALA HN 52 ALA HN 3.50 449 &rst ixpk= 0, nxpk= 0, iat= 634, 644, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 73 ALA HN 74 ALA HN 3.50 449 &rst ixpk= 0, nxpk= 0, iat= 916, 926, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 7 ALA HN 8 ALA QB 6.00 373 &rst ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 84, 85, 86, &end # # 29 ALA HN 30 ALA QB 6.00 373 &rst ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 366, 367, 368, &end # # 51 ALA HN 52 ALA QB 6.00 373 &rst ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 648, 649, 650, &end # # 73 ALA HN 74 ALA QB 6.00 373 &rst ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 930, 931, 932, &end # # 7 ALA HN 9 ILE QD1 8.00 373 &rst ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 103, 104, 105, &end # # 29 ALA HN 31 ILE QD1 8.00 373 &rst ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 385, 386, 387, &end # # 51 ALA HN 53 ILE QD1 8.00 373 &rst ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 667, 668, 669, &end # # 73 ALA HN 75 ILE QD1 8.00 373 &rst ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 949, 950, 951, &end # # 7 ALA HA 7 ALA QB 3.53 240 &rst ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 74, 75, 76, &end # # 29 ALA HA 29 ALA QB 3.53 240 &rst ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 356, 357, 358, &end # # 51 ALA HA 51 ALA QB 3.53 240 &rst ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 638, 639, 640, &end # # 73 ALA HA 73 ALA QB 3.53 240 &rst ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 920, 921, 922, &end # # 7 ALA HA 10 LYS HN 5.50 14 &rst ixpk= 0, nxpk= 0, iat= 72, 109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 29 ALA HA 32 LYS HN 5.50 14 &rst ixpk= 0, nxpk= 0, iat= 354, 391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 51 ALA HA 54 LYS HN 5.50 14 &rst ixpk= 0, nxpk= 0, iat= 636, 673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 73 ALA HA 76 LYS HN 5.50 14 &rst ixpk= 0, nxpk= 0, iat= 918, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 7 ALA HA 10 LYS QB 6.50 572 &rst ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 113, 114, &end # # 29 ALA HA 32 LYS QB 6.50 572 &rst ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 395, 396, &end # # 51 ALA HA 54 LYS QB 6.50 572 &rst ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 677, 678, &end # # 73 ALA HA 76 LYS QB 6.50 572 &rst ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 959, 960, &end # # 7 ALA HA 10 LYS QD 8.38 168 &rst ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88, igr2= 119, 120, &end # # 29 ALA HA 32 LYS QD 8.38 168 &rst ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88, igr2= 401, 402, &end # # 51 ALA HA 54 LYS QD 8.38 168 &rst ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88, igr2= 683, 684, &end # # 73 ALA HA 76 LYS QD 8.38 168 &rst ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88, igr2= 965, 966, &end # # 7 ALA QB 8 ALA HN 4.71 56 &rst ixpk= 0, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 74, 75, 76, &end # # 29 ALA QB 30 ALA HN 4.71 56 &rst ixpk= 0, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 356, 357, 358, &end # # 51 ALA QB 52 ALA HN 4.71 56 &rst ixpk= 0, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 638, 639, 640, &end # # 73 ALA QB 74 ALA HN 4.71 56 &rst ixpk= 0, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 920, 921, 922, &end # # 8 ALA HN 8 ALA HA 3.53 396 &rst ixpk= 0, nxpk= 0, iat= 80, 82, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 30 ALA HN 30 ALA HA 3.53 396 &rst ixpk= 0, nxpk= 0, iat= 362, 364, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 52 ALA HN 52 ALA HA 3.53 396 &rst ixpk= 0, nxpk= 0, iat= 644, 646, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 74 ALA HN 74 ALA HA 3.53 396 &rst ixpk= 0, nxpk= 0, iat= 926, 928, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 8 ALA HN 8 ALA QB 3.74 444 &rst ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2= 84, 85, 86, &end # # 30 ALA HN 30 ALA QB 3.74 444 &rst ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2= 366, 367, 368, &end # # 52 ALA HN 52 ALA QB 3.74 444 &rst ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2= 648, 649, 650, &end # # 74 ALA HN 74 ALA QB 3.74 444 &rst ixpk= 0, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2= 930, 931, 932, &end # # 8 ALA HN 9 ILE HN 3.58 447 &rst ixpk= 0, nxpk= 0, iat= 80, 90, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 30 ALA HN 31 ILE HN 3.58 447 &rst ixpk= 0, nxpk= 0, iat= 362, 372, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 52 ALA HN 53 ILE HN 3.58 447 &rst ixpk= 0, nxpk= 0, iat= 644, 654, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 74 ALA HN 75 ILE HN 3.58 447 &rst ixpk= 0, nxpk= 0, iat= 926, 936, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 8 ALA HN 9 ILE HA 7.50 498 &rst ixpk= 0, nxpk= 0, iat= 80, 92, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 30 ALA HN 31 ILE HA 7.50 498 &rst ixpk= 0, nxpk= 0, iat= 362, 374, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 52 ALA HN 53 ILE HA 7.50 498 &rst ixpk= 0, nxpk= 0, iat= 644, 656, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 74 ALA HN 75 ILE HA 7.50 498 &rst ixpk= 0, nxpk= 0, iat= 926, 938, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 8 ALA HN 9 ILE QD1 7.53 619 &rst ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 103, 104, 105, &end # # 30 ALA HN 31 ILE QD1 7.53 619 &rst ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 385, 386, 387, &end # # 52 ALA HN 53 ILE QD1 7.53 619 &rst ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 667, 668, 669, &end # # 74 ALA HN 75 ILE QD1 7.53 619 &rst ixpk= 0, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 949, 950, 951, &end # # 8 ALA HN 9 ILE QG2 7.28 446 &rst ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr2= 96, 97, 98, &end # # 30 ALA HN 31 ILE QG2 7.28 446 &rst ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr2= 378, 379, 380, &end # # 52 ALA HN 53 ILE QG2 7.28 446 &rst ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr2= 660, 661, 662, &end # # 74 ALA HN 75 ILE QG2 7.28 446 &rst ixpk= 0, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr2= 942, 943, 944, &end # # 8 ALA HN 10 LYS HN 7.50 474 &rst ixpk= 0, nxpk= 0, iat= 80, 109, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 30 ALA HN 32 LYS HN 7.50 474 &rst ixpk= 0, nxpk= 0, iat= 362, 391, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 52 ALA HN 54 LYS HN 7.50 474 &rst ixpk= 0, nxpk= 0, iat= 644, 673, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 74 ALA HN 76 LYS HN 7.50 474 &rst ixpk= 0, nxpk= 0, iat= 926, 955, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 8 ALA HN 12 ILE HN 7.50 470 &rst ixpk= 0, nxpk= 0, iat= 80, 141, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 30 ALA HN 34 ILE HN 7.50 470 &rst ixpk= 0, nxpk= 0, iat= 362, 423, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 52 ALA HN 56 ILE HN 7.50 470 &rst ixpk= 0, nxpk= 0, iat= 644, 705, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 74 ALA HN 78 ILE HN 7.50 470 &rst ixpk= 0, nxpk= 0, iat= 926, 987, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 8 ALA HN 37 ILE QG2 6.53 262 &rst ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 468, 469, 470, &end # # 30 ALA HN 15 ILE QG2 6.53 262 &rst ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 186, 187, 188, &end # # 52 ALA HN 81 ILE QG2 6.53 262 &rst ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2=1032,1033,1034, &end # # 74 ALA HN 59 ILE QG2 6.53 262 &rst ixpk= 0, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 750, 751, 752, &end # # 8 ALA HA 8 ALA QB 3.42 402 &rst ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2= 84, 85, 86, &end # # 30 ALA HA 30 ALA QB 3.42 402 &rst ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2= 366, 367, 368, &end # # 52 ALA HA 52 ALA QB 3.42 402 &rst ixpk= 0, nxpk= 0, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2= 648, 649, 650, &end # # 74 ALA HA 74 ALA QB 3.42 402 &rst ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2= 930, 931, 932, &end # # 8 ALA HA 9 ILE QD1 8.03 617 &rst ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 103, 104, 105, &end # # 30 ALA HA 31 ILE QD1 8.03 617 &rst ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 385, 386, 387, &end # # 52 ALA HA 53 ILE QD1 8.03 617 &rst ixpk= 0, nxpk= 0, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 667, 668, 669, &end # # 74 ALA HA 75 ILE QD1 8.03 617 &rst ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 949, 950, 951, &end # # 8 ALA HA 37 ILE QG2 6.50 565 &rst ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 468, 469, 470, &end # # 30 ALA HA 15 ILE QG2 6.50 565 &rst ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 186, 187, 188, &end # # 52 ALA HA 81 ILE QG2 6.50 565 &rst ixpk= 0, nxpk= 0, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2=1032,1033,1034, &end # # 74 ALA HA 59 ILE QG2 6.50 565 &rst ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 750, 751, 752, &end # # 8 ALA HA 12 ILE QD1 7.53 646 &rst ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 154, 155, 156, &end # # 30 ALA HA 34 ILE QD1 7.53 646 &rst ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 436, 437, 438, &end # # 52 ALA HA 56 ILE QD1 7.53 646 &rst ixpk= 0, nxpk= 0, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 718, 719, 720, &end # # 74 ALA HA 78 ILE QD1 7.53 646 &rst ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2=1000,1001,1002, &end # # 8 ALA QB 9 ILE HN 5.14 443 &rst ixpk= 0, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 84, 85, 86, &end # # 30 ALA QB 31 ILE HN 5.14 443 &rst ixpk= 0, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 366, 367, 368, &end # # 52 ALA QB 53 ILE HN 5.14 443 &rst ixpk= 0, nxpk= 0, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 648, 649, 650, &end # # 74 ALA QB 75 ILE HN 5.14 443 &rst ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 930, 931, 932, &end # # 8 ALA QB 9 ILE HA 7.03 630 &rst ixpk= 0, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 84, 85, 86, &end # # 30 ALA QB 31 ILE HA 7.03 630 &rst ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 366, 367, 368, &end # # 52 ALA QB 53 ILE HA 7.03 630 &rst ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 648, 649, 650, &end # # 74 ALA QB 75 ILE HA 7.03 630 &rst ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 930, 931, 932, &end # # 8 ALA QB 9 ILE HB 7.03 454 &rst ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 84, 85, 86, &end # # 30 ALA QB 31 ILE HB 7.03 454 &rst ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 366, 367, 368, &end # # 52 ALA QB 53 ILE HB 7.03 454 &rst ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 648, 649, 650, &end # # 74 ALA QB 75 ILE HB 7.03 454 &rst ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 930, 931, 932, &end # # 8 ALA QB 9 ILE QD1 6.50 364 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 84, 85, 86, igr2= 103, 104, 105, &end # # 30 ALA QB 31 ILE QD1 6.50 364 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 366, 367, 368, igr2= 385, 386, 387, &end # # 52 ALA QB 53 ILE QD1 6.50 364 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 648, 649, 650, igr2= 667, 668, 669, &end # # 74 ALA QB 75 ILE QD1 6.50 364 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 930, 931, 932, igr2= 949, 950, 951, &end # # 8 ALA QB 37 ILE QG2 5.53 581 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 84, 85, 86, igr2= 468, 469, 470, &end # # 30 ALA QB 15 ILE QG2 5.53 581 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 366, 367, 368, igr2= 186, 187, 188, &end # # 52 ALA QB 81 ILE QG2 5.53 581 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 648, 649, 650, igr2=1032,1033,1034, &end # # 74 ALA QB 59 ILE QG2 5.53 581 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 930, 931, 932, igr2= 750, 751, 752, &end # # 8 ALA QB 10 LYS HN 7.03 394 &rst ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 84, 85, 86, &end # # 30 ALA QB 32 LYS HN 7.03 394 &rst ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 366, 367, 368, &end # # 52 ALA QB 54 LYS HN 7.03 394 &rst ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 648, 649, 650, &end # # 74 ALA QB 76 LYS HN 7.03 394 &rst ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 930, 931, 932, &end # # 8 ALA QB 11 ALA QB 7.56 645 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 84, 85, 86, igr2= 135, 136, 137, &end # # 30 ALA QB 33 ALA QB 7.56 645 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 366, 367, 368, igr2= 417, 418, 419, &end # # 52 ALA QB 55 ALA QB 7.56 645 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 648, 649, 650, igr2= 699, 700, 701, &end # # 74 ALA QB 77 ALA QB 7.56 645 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 930, 931, 932, igr2= 981, 982, 983, &end # # 8 ALA QB 12 ILE HA 8.03 555 &rst ixpk= 0, nxpk= 0, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 84, 85, 86, &end # # 30 ALA QB 34 ILE HA 8.03 555 &rst ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 366, 367, 368, &end # # 52 ALA QB 56 ILE HA 8.03 555 &rst ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 648, 649, 650, &end # # 74 ALA QB 78 ILE HA 8.03 555 &rst ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 930, 931, 932, &end # # 8 ALA QB 12 ILE HN 7.06 599 &rst ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 84, 85, 86, &end # # 30 ALA QB 34 ILE HN 7.06 599 &rst ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 366, 367, 368, &end # # 52 ALA QB 56 ILE HN 7.06 599 &rst ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 648, 649, 650, &end # # 74 ALA QB 78 ILE HN 7.06 599 &rst ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 930, 931, 932, &end # # 8 ALA QB 12 ILE QD1 7.56 599 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 84, 85, 86, igr2= 154, 155, 156, &end # # 30 ALA QB 34 ILE QD1 7.56 599 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 366, 367, 368, igr2= 436, 437, 438, &end # # 52 ALA QB 56 ILE QD1 7.56 599 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 648, 649, 650, igr2= 718, 719, 720, &end # # 74 ALA QB 78 ILE QD1 7.56 599 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 930, 931, 932, igr2=1000,1001,1002, &end # # 8 ALA QB 34 ILE QD1 7.56 599 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 84, 85, 86, igr2= 436, 437, 438, &end # # 30 ALA QB 12 ILE QD1 7.56 599 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 366, 367, 368, igr2= 154, 155, 156, &end # # 52 ALA QB 78 ILE QD1 7.56 599 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 648, 649, 650, igr2=1000,1001,1002, &end # # 74 ALA QB 56 ILE QD1 7.56 599 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 930, 931, 932, igr2= 718, 719, 720, &end # # 8 ALA QB 37 ILE HN 7.53 174 &rst ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 84, 85, 86, &end # # 30 ALA QB 15 ILE HN 7.53 174 &rst ixpk= 0, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 366, 367, 368, &end # # 52 ALA QB 81 ILE HN 7.53 174 &rst ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 648, 649, 650, &end # # 74 ALA QB 59 ILE HN 7.53 174 &rst ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 930, 931, 932, &end # # 8 ALA QB 43 HIS HD2 6.53 516 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 84, 85, 86, &end # # 30 ALA QB 21 HIS HD2 6.53 516 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 366, 367, 368, &end # # 52 ALA QB 87 HIS HD2 6.53 516 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 648, 649, 650, &end # # 74 ALA QB 65 HIS HD2 6.53 516 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 930, 931, 932, &end # # 8 ALA QB 43 HIS HE1 6.00 4 &rst ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 84, 85, 86, &end # # 30 ALA QB 21 HIS HE1 6.00 4 &rst ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 366, 367, 368, &end # # 52 ALA QB 87 HIS HE1 6.00 4 &rst ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 648, 649, 650, &end # # 74 ALA QB 65 HIS HE1 6.00 4 &rst ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 930, 931, 932, &end # # 9 ILE HN 9 ILE HA 3.54 346 &rst ixpk= 0, nxpk= 0, iat= 90, 92, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 31 ILE HN 31 ILE HA 3.54 346 &rst ixpk= 0, nxpk= 0, iat= 372, 374, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 53 ILE HN 53 ILE HA 3.54 346 &rst ixpk= 0, nxpk= 0, iat= 654, 656, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 75 ILE HN 75 ILE HA 3.54 346 &rst ixpk= 0, nxpk= 0, iat= 936, 938, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 9 ILE HN 9 ILE HB 3.50 347 &rst ixpk= 0, nxpk= 0, iat= 90, 94, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 31 ILE HN 31 ILE HB 3.50 347 &rst ixpk= 0, nxpk= 0, iat= 372, 376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 53 ILE HN 53 ILE HB 3.50 347 &rst ixpk= 0, nxpk= 0, iat= 654, 658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 75 ILE HN 75 ILE HB 3.50 347 &rst ixpk= 0, nxpk= 0, iat= 936, 940, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 9 ILE HN 9 ILE QD1 5.06 351 &rst ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2= 103, 104, 105, &end # # 31 ILE HN 31 ILE QD1 5.06 351 &rst ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2= 385, 386, 387, &end # # 53 ILE HN 53 ILE QD1 5.06 351 &rst ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2= 667, 668, 669, &end # # 75 ILE HN 75 ILE QD1 5.06 351 &rst ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2= 949, 950, 951, &end # # 9 ILE HN 9 ILE QG1 4.65 345 &rst ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 100, 101, &end # # 31 ILE HN 31 ILE QG1 4.65 345 &rst ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 382, 383, &end # # 53 ILE HN 53 ILE QG1 4.65 345 &rst ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 664, 665, &end # # 75 ILE HN 75 ILE QG1 4.65 345 &rst ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 946, 947, &end # # 9 ILE HN 9 ILE QG2 5.07 344 &rst ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 96, 97, 98, &end # # 31 ILE HN 31 ILE QG2 5.07 344 &rst ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 378, 379, 380, &end # # 53 ILE HN 53 ILE QG2 5.07 344 &rst ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 660, 661, 662, &end # # 75 ILE HN 75 ILE QG2 5.07 344 &rst ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 942, 943, 944, &end # # 9 ILE HN 10 LYS HN 3.50 441 &rst ixpk= 0, nxpk= 0, iat= 90, 109, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 31 ILE HN 32 LYS HN 3.50 441 &rst ixpk= 0, nxpk= 0, iat= 372, 391, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 53 ILE HN 54 LYS HN 3.50 441 &rst ixpk= 0, nxpk= 0, iat= 654, 673, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 75 ILE HN 76 LYS HN 3.50 441 &rst ixpk= 0, nxpk= 0, iat= 936, 955, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 9 ILE HA 9 ILE HB 4.00 356 &rst ixpk= 0, nxpk= 0, iat= 92, 94, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 31 ILE HA 31 ILE HB 4.00 356 &rst ixpk= 0, nxpk= 0, iat= 374, 376, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 53 ILE HA 53 ILE HB 4.00 356 &rst ixpk= 0, nxpk= 0, iat= 656, 658, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 75 ILE HA 75 ILE HB 4.00 356 &rst ixpk= 0, nxpk= 0, iat= 938, 940, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 9 ILE HA 9 ILE QD1 5.57 352 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 103, 104, 105, &end # # 31 ILE HA 31 ILE QD1 5.57 352 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 385, 386, 387, &end # # 53 ILE HA 53 ILE QD1 5.57 352 &rst ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 667, 668, 669, &end # # 75 ILE HA 75 ILE QD1 5.57 352 &rst ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 949, 950, 951, &end # # 9 ILE HA 9 ILE QG1 4.44 133 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2= 100, 101, &end # # 31 ILE HA 31 ILE QG1 4.44 133 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2= 382, 383, &end # # 53 ILE HA 53 ILE QG1 4.44 133 &rst ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2= 664, 665, &end # # 75 ILE HA 75 ILE QG1 4.44 133 &rst ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2= 946, 947, &end # # 9 ILE HA 9 ILE QG2 4.50 353 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 96, 97, 98, &end # # 31 ILE HA 31 ILE QG2 4.50 353 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 378, 379, 380, &end # # 53 ILE HA 53 ILE QG2 4.50 353 &rst ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 660, 661, 662, &end # # 75 ILE HA 75 ILE QG2 4.50 353 &rst ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 942, 943, 944, &end # # 9 ILE HA 10 LYS HN 3.49 42 &rst ixpk= 0, nxpk= 0, iat= 92, 109, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 31 ILE HA 32 LYS HN 3.49 42 &rst ixpk= 0, nxpk= 0, iat= 374, 391, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 53 ILE HA 54 LYS HN 3.49 42 &rst ixpk= 0, nxpk= 0, iat= 656, 673, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 75 ILE HA 76 LYS HN 3.49 42 &rst ixpk= 0, nxpk= 0, iat= 938, 955, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 9 ILE HA 11 ALA HN 7.00 41 &rst ixpk= 0, nxpk= 0, iat= 92, 131, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 31 ILE HA 33 ALA HN 7.00 41 &rst ixpk= 0, nxpk= 0, iat= 374, 413, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 53 ILE HA 55 ALA HN 7.00 41 &rst ixpk= 0, nxpk= 0, iat= 656, 695, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 75 ILE HA 77 ALA HN 7.00 41 &rst ixpk= 0, nxpk= 0, iat= 938, 977, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 9 ILE HA 11 ALA QB 7.53 586 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 135, 136, 137, &end # # 31 ILE HA 33 ALA QB 7.53 586 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 417, 418, 419, &end # # 53 ILE HA 55 ALA QB 7.53 586 &rst ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 699, 700, 701, &end # # 75 ILE HA 77 ALA QB 7.53 586 &rst ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 981, 982, 983, &end # # 9 ILE HA 12 ILE HN 5.50 39 &rst ixpk= 0, nxpk= 0, iat= 92, 141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 31 ILE HA 34 ILE HN 5.50 39 &rst ixpk= 0, nxpk= 0, iat= 374, 423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 53 ILE HA 56 ILE HN 5.50 39 &rst ixpk= 0, nxpk= 0, iat= 656, 705, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 75 ILE HA 78 ILE HN 5.50 39 &rst ixpk= 0, nxpk= 0, iat= 938, 987, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 9 ILE HA 12 ILE HB 6.50 585 &rst ixpk= 0, nxpk= 0, iat= 92, 145, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 31 ILE HA 34 ILE HB 6.50 585 &rst ixpk= 0, nxpk= 0, iat= 374, 427, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 53 ILE HA 56 ILE HB 6.50 585 &rst ixpk= 0, nxpk= 0, iat= 656, 709, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 75 ILE HA 78 ILE HB 6.50 585 &rst ixpk= 0, nxpk= 0, iat= 938, 991, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 9 ILE HA 12 ILE QD1 4.03 562 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 154, 155, 156, &end # # 31 ILE HA 34 ILE QD1 4.03 562 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 436, 437, 438, &end # # 53 ILE HA 56 ILE QD1 4.03 562 &rst ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 718, 719, 720, &end # # 75 ILE HA 78 ILE QD1 4.03 562 &rst ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2=1000,1001,1002, &end # # 9 ILE HA 12 ILE QG2 6.50 563 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 147, 148, 149, &end # # 31 ILE HA 34 ILE QG2 6.50 563 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 429, 430, 431, &end # # 53 ILE HA 56 ILE QG2 6.50 563 &rst ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 711, 712, 713, &end # # 75 ILE HA 78 ILE QG2 6.50 563 &rst ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 993, 994, 995, &end # # 9 ILE HA 34 ILE QG2 6.50 563 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 429, 430, 431, &end # # 31 ILE HA 12 ILE QG2 6.50 563 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 147, 148, 149, &end # # 53 ILE HA 78 ILE QG2 6.50 563 &rst ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 993, 994, 995, &end # # 75 ILE HA 56 ILE QG2 6.50 563 &rst ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 711, 712, 713, &end # # 9 ILE HA 12 ILE QG1 6.53 632 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 151, 152, &end # # 31 ILE HA 34 ILE QG1 6.53 632 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 433, 434, &end # # 53 ILE HA 56 ILE QG1 6.53 632 &rst ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 715, 716, &end # # 75 ILE HA 78 ILE QG1 6.53 632 &rst ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 997, 998, &end # # 9 ILE HA 13 ALA HN 5.00 52 &rst ixpk= 0, nxpk= 0, iat= 92, 160, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 31 ILE HA 35 ALA HN 5.00 52 &rst ixpk= 0, nxpk= 0, iat= 374, 442, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 53 ILE HA 57 ALA HN 5.00 52 &rst ixpk= 0, nxpk= 0, iat= 656, 724, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 75 ILE HA 79 ALA HN 5.00 52 &rst ixpk= 0, nxpk= 0, iat= 938,1006, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 9 ILE HA 13 ALA QB 7.53 643 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 164, 165, 166, &end # # 31 ILE HA 35 ALA QB 7.53 643 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 446, 447, 448, &end # # 53 ILE HA 57 ALA QB 7.53 643 &rst ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 728, 729, 730, &end # # 75 ILE HA 79 ALA QB 7.53 643 &rst ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2=1010,1011,1012, &end # # 9 ILE HB 9 ILE QD1 4.69 369 &rst ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2= 103, 104, 105, &end # # 31 ILE HB 31 ILE QD1 4.69 369 &rst ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2= 385, 386, 387, &end # # 53 ILE HB 53 ILE QD1 4.69 369 &rst ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2= 667, 668, 669, &end # # 75 ILE HB 75 ILE QD1 4.69 369 &rst ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2= 949, 950, 951, &end # # 9 ILE HB 9 ILE QG1 3.50 361 &rst ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 100, 101, &end # # 31 ILE HB 31 ILE QG1 3.50 361 &rst ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 382, 383, &end # # 53 ILE HB 53 ILE QG1 3.50 361 &rst ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 664, 665, &end # # 75 ILE HB 75 ILE QG1 3.50 361 &rst ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 946, 947, &end # # 9 ILE HB 9 ILE QG2 3.58 360 &rst ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 96, 97, 98, &end # # 31 ILE HB 31 ILE QG2 3.58 360 &rst ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 378, 379, 380, &end # # 53 ILE HB 53 ILE QG2 3.58 360 &rst ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 660, 661, 662, &end # # 75 ILE HB 75 ILE QG2 3.58 360 &rst ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 942, 943, 944, &end # # 9 ILE HB 10 LYS HN 4.50 412 &rst ixpk= 0, nxpk= 0, iat= 94, 109, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 31 ILE HB 32 LYS HN 4.50 412 &rst ixpk= 0, nxpk= 0, iat= 376, 391, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 53 ILE HB 54 LYS HN 4.50 412 &rst ixpk= 0, nxpk= 0, iat= 658, 673, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 75 ILE HB 76 LYS HN 4.50 412 &rst ixpk= 0, nxpk= 0, iat= 940, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 9 ILE QD1 9 ILE QG1 3.53 368 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 103, 104, 105, igr2= 100, 101, &end # # 31 ILE QD1 31 ILE QG1 3.53 368 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 385, 386, 387, igr2= 382, 383, &end # # 53 ILE QD1 53 ILE QG1 3.53 368 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 667, 668, 669, igr2= 664, 665, &end # # 75 ILE QD1 75 ILE QG1 3.53 368 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 949, 950, 951, igr2= 946, 947, &end # # 9 ILE QD1 9 ILE QG2 5.56 366 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 103, 104, 105, igr2= 96, 97, 98, &end # # 31 ILE QD1 31 ILE QG2 5.56 366 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 385, 386, 387, igr2= 378, 379, 380, &end # # 53 ILE QD1 53 ILE QG2 5.56 366 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 667, 668, 669, igr2= 660, 661, 662, &end # # 75 ILE QD1 75 ILE QG2 5.56 366 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 949, 950, 951, igr2= 942, 943, 944, &end # # 9 ILE QD1 10 LYS HN 7.29 432 &rst ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79, igr1= 103, 104, 105, &end # # 31 ILE QD1 32 LYS HN 7.29 432 &rst ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79, igr1= 385, 386, 387, &end # # 53 ILE QD1 54 LYS HN 7.29 432 &rst ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79, igr1= 667, 668, 669, &end # # 75 ILE QD1 76 LYS HN 7.29 432 &rst ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79, igr1= 949, 950, 951, &end # # 9 ILE QD1 11 ALA HN 8.03 419 &rst ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 103, 104, 105, &end # # 31 ILE QD1 33 ALA HN 8.03 419 &rst ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 385, 386, 387, &end # # 53 ILE QD1 55 ALA HN 8.03 419 &rst ixpk= 0, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 667, 668, 669, &end # # 75 ILE QD1 77 ALA HN 8.03 419 &rst ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 949, 950, 951, &end # # 9 ILE QD1 12 ILE HN 7.53 75 &rst ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 103, 104, 105, &end # # 31 ILE QD1 34 ILE HN 7.53 75 &rst ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 385, 386, 387, &end # # 53 ILE QD1 56 ILE HN 7.53 75 &rst ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 667, 668, 669, &end # # 75 ILE QD1 78 ILE HN 7.53 75 &rst ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 949, 950, 951, &end # # 9 ILE QD1 12 ILE HB 7.41 623 &rst ixpk= 0, nxpk= 0, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 103, 104, 105, &end # # 31 ILE QD1 34 ILE HB 7.41 623 &rst ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 385, 386, 387, &end # # 53 ILE QD1 56 ILE HB 7.41 623 &rst ixpk= 0, nxpk= 0, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 667, 668, 669, &end # # 75 ILE QD1 78 ILE HB 7.41 623 &rst ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 949, 950, 951, &end # # 9 ILE QD1 12 ILE QD1 6.06 614 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1= 103, 104, 105, igr2= 154, 155, 156, &end # # 31 ILE QD1 34 ILE QD1 6.06 614 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1= 385, 386, 387, igr2= 436, 437, 438, &end # # 53 ILE QD1 56 ILE QD1 6.06 614 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1= 667, 668, 669, igr2= 718, 719, 720, &end # # 75 ILE QD1 78 ILE QD1 6.06 614 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1= 949, 950, 951, igr2=1000,1001,1002, &end # # 9 ILE QD1 34 ILE QD1 7.06 614 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 103, 104, 105, igr2= 436, 437, 438, &end # # 31 ILE QD1 12 ILE QD1 7.06 614 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 385, 386, 387, igr2= 154, 155, 156, &end # # 53 ILE QD1 78 ILE QD1 7.06 614 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 667, 668, 669, igr2=1000,1001,1002, &end # # 75 ILE QD1 56 ILE QD1 7.06 614 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 949, 950, 951, igr2= 718, 719, 720, &end # # 9 ILE QD1 12 ILE QG1 6.53 615 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 103, 104, 105, igr2= 151, 152, &end # # 31 ILE QD1 34 ILE QG1 6.53 615 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 385, 386, 387, igr2= 433, 434, &end # # 53 ILE QD1 56 ILE QG1 6.53 615 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 667, 668, 669, igr2= 715, 716, &end # # 75 ILE QD1 78 ILE QG1 6.53 615 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 949, 950, 951, igr2= 997, 998, &end # # 9 ILE QD1 13 ALA HN 7.03 74 &rst ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 103, 104, 105, &end # # 31 ILE QD1 35 ALA HN 7.03 74 &rst ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 385, 386, 387, &end # # 53 ILE QD1 57 ALA HN 7.03 74 &rst ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 667, 668, 669, &end # # 75 ILE QD1 79 ALA HN 7.03 74 &rst ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 949, 950, 951, &end # # 9 ILE QD1 38 ILE HA 9.93 634 &rst ixpk= 0, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43, igr1= 103, 104, 105, &end # # 31 ILE QD1 16 ILE HA 9.93 634 &rst ixpk= 0, nxpk= 0, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43, igr1= 385, 386, 387, &end # # 53 ILE QD1 82 ILE HA 9.93 634 &rst ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43, igr1= 667, 668, 669, &end # # 75 ILE QD1 60 ILE HA 9.93 634 &rst ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43, igr1= 949, 950, 951, &end # # 9 ILE QD1 82 ILE HA 9.33 634 &rst ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 9.33, r4= 9.83, igr1= 103, 104, 105, &end # # 31 ILE QD1 60 ILE HA 9.33 634 &rst ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 9.33, r4= 9.83, igr1= 385, 386, 387, &end # # 53 ILE QD1 38 ILE HA 9.33 634 &rst ixpk= 0, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 9.33, r4= 9.83, igr1= 667, 668, 669, &end # # 75 ILE QD1 16 ILE HA 9.33 634 &rst ixpk= 0, nxpk= 0, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 9.33, r4= 9.83, igr1= 949, 950, 951, &end # # 9 ILE QD1 16 ILE QD1 9.06 616 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 103, 104, 105, igr2= 212, 213, 214, &end # # 31 ILE QD1 38 ILE QD1 9.06 616 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 385, 386, 387, igr2= 494, 495, 496, &end # # 53 ILE QD1 60 ILE QD1 9.06 616 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 667, 668, 669, igr2= 776, 777, 778, &end # # 75 ILE QD1 82 ILE QD1 9.06 616 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 949, 950, 951, igr2=1058,1059,1060, &end # # 9 ILE QD1 87 HIS HN 7.03 419 &rst ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 103, 104, 105, &end # # 31 ILE QD1 65 HIS HN 7.03 419 &rst ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 385, 386, 387, &end # # 53 ILE QD1 43 HIS HN 7.03 419 &rst ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 667, 668, 669, &end # # 75 ILE QD1 21 HIS HN 7.03 419 &rst ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 949, 950, 951, &end # # 9 ILE QD1 87 HIS HD2 7.03 548 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 103, 104, 105, &end # # 31 ILE QD1 65 HIS HD2 7.03 548 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 385, 386, 387, &end # # 53 ILE QD1 43 HIS HD2 7.03 548 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 667, 668, 669, &end # # 75 ILE QD1 21 HIS HD2 7.03 548 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 949, 950, 951, &end # # 9 ILE QD1 87 HIS HE1 6.00 4 &rst ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 103, 104, 105, &end # # 31 ILE QD1 65 HIS HE1 6.00 4 &rst ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 385, 386, 387, &end # # 53 ILE QD1 43 HIS HE1 6.00 4 &rst ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 667, 668, 669, &end # # 75 ILE QD1 21 HIS HE1 6.00 4 &rst ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 949, 950, 951, &end # # 9 ILE HG12 9 ILE HG13 3.65 582 &rst ixpk= 0, nxpk= 0, iat= 100, 101, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 31 ILE HG12 31 ILE HG13 3.65 582 &rst ixpk= 0, nxpk= 0, iat= 382, 383, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 53 ILE HG12 53 ILE HG13 3.65 582 &rst ixpk= 0, nxpk= 0, iat= 664, 665, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 75 ILE HG12 75 ILE HG13 3.65 582 &rst ixpk= 0, nxpk= 0, iat= 946, 947, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 9 ILE QG1 9 ILE QG2 4.55 365 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1= 100, 101, igr2= 96, 97, 98, &end # # 31 ILE QG1 31 ILE QG2 4.55 365 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1= 382, 383, igr2= 378, 379, 380, &end # # 53 ILE QG1 53 ILE QG2 4.55 365 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1= 664, 665, igr2= 660, 661, 662, &end # # 75 ILE QG1 75 ILE QG2 4.55 365 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1= 946, 947, igr2= 942, 943, 944, &end # # 9 ILE QG1 10 LYS HN 6.30 429 &rst ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 100, 101, &end # # 31 ILE QG1 32 LYS HN 6.30 429 &rst ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 382, 383, &end # # 53 ILE QG1 54 LYS HN 6.30 429 &rst ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 664, 665, &end # # 75 ILE QG1 76 LYS HN 6.30 429 &rst ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 946, 947, &end # # 9 ILE QG1 87 HIS QB 7.50 636 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 100, 101, igr2=1114,1115, &end # # 31 ILE QG1 65 HIS QB 7.50 636 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 382, 383, igr2= 832, 833, &end # # 53 ILE QG1 43 HIS QB 7.50 636 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 664, 665, igr2= 550, 551, &end # # 75 ILE QG1 21 HIS QB 7.50 636 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 946, 947, igr2= 268, 269, &end # # 9 ILE QG1 87 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 100, 101, &end # # 31 ILE QG1 65 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 382, 383, &end # # 53 ILE QG1 43 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 664, 665, &end # # 75 ILE QG1 21 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 946, 947, &end # # 9 ILE QG2 10 LYS HN 6.53 431 &rst ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 96, 97, 98, &end # # 31 ILE QG2 32 LYS HN 6.53 431 &rst ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 378, 379, 380, &end # # 53 ILE QG2 54 LYS HN 6.53 431 &rst ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 660, 661, 662, &end # # 75 ILE QG2 76 LYS HN 6.53 431 &rst ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 942, 943, 944, &end # # 9 ILE QG2 10 LYS HA 7.53 419 &rst ixpk= 0, nxpk= 0, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 96, 97, 98, &end # # 31 ILE QG2 32 LYS HA 7.53 419 &rst ixpk= 0, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 378, 379, 380, &end # # 53 ILE QG2 54 LYS HA 7.53 419 &rst ixpk= 0, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 660, 661, 662, &end # # 75 ILE QG2 76 LYS HA 7.53 419 &rst ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 942, 943, 944, &end # # 9 ILE QG2 13 ALA QB 8.06 114 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56, igr1= 96, 97, 98, igr2= 164, 165, 166, &end # # 31 ILE QG2 35 ALA QB 8.06 114 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56, igr1= 378, 379, 380, igr2= 446, 447, 448, &end # # 53 ILE QG2 57 ALA QB 8.06 114 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56, igr1= 660, 661, 662, igr2= 728, 729, 730, &end # # 75 ILE QG2 79 ALA QB 8.06 114 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56, igr1= 942, 943, 944, igr2=1010,1011,1012, &end # # 9 ILE QG2 87 HIS QB 6.03 603 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 96, 97, 98, igr2=1114,1115, &end # # 31 ILE QG2 65 HIS QB 6.03 603 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 378, 379, 380, igr2= 832, 833, &end # # 53 ILE QG2 43 HIS QB 6.03 603 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 660, 661, 662, igr2= 550, 551, &end # # 75 ILE QG2 21 HIS QB 6.03 603 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 942, 943, 944, igr2= 268, 269, &end # # 9 ILE QG2 87 HIS HD2 7.53 513 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 96, 97, 98, &end # # 31 ILE QG2 65 HIS HD2 7.53 513 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 378, 379, 380, &end # # 53 ILE QG2 43 HIS HD2 7.53 513 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 660, 661, 662, &end # # 75 ILE QG2 21 HIS HD2 7.53 513 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 942, 943, 944, &end # # 9 ILE QG2 87 HIS HE1 7.00 4 &rst ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 96, 97, 98, &end # # 31 ILE QG2 65 HIS HE1 7.00 4 &rst ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 378, 379, 380, &end # # 53 ILE QG2 43 HIS HE1 7.00 4 &rst ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 660, 661, 662, &end # # 75 ILE QG2 21 HIS HE1 7.00 4 &rst ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 942, 943, 944, &end # # 10 LYS HN 10 LYS HA 3.55 420 &rst ixpk= 0, nxpk= 0, iat= 109, 111, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 32 LYS HN 32 LYS HA 3.55 420 &rst ixpk= 0, nxpk= 0, iat= 391, 393, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 54 LYS HN 54 LYS HA 3.55 420 &rst ixpk= 0, nxpk= 0, iat= 673, 675, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 76 LYS HN 76 LYS HA 3.55 420 &rst ixpk= 0, nxpk= 0, iat= 955, 957, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 10 LYS HN 10 LYS QB 4.00 427 &rst ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 113, 114, &end # # 32 LYS HN 32 LYS QB 4.00 427 &rst ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 395, 396, &end # # 54 LYS HN 54 LYS QB 4.00 427 &rst ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 677, 678, &end # # 76 LYS HN 76 LYS QB 4.00 427 &rst ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 959, 960, &end # # 10 LYS HN 10 LYS QD 6.50 425 &rst ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 119, 120, &end # # 32 LYS HN 32 LYS QD 6.50 425 &rst ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 401, 402, &end # # 54 LYS HN 54 LYS QD 6.50 425 &rst ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 683, 684, &end # # 76 LYS HN 76 LYS QD 6.50 425 &rst ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 965, 966, &end # # 10 LYS HN 10 LYS QE 7.50 408 &rst ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 122, 123, &end # # 32 LYS HN 32 LYS QE 7.50 408 &rst ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 404, 405, &end # # 54 LYS HN 54 LYS QE 7.50 408 &rst ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 686, 687, &end # # 76 LYS HN 76 LYS QE 7.50 408 &rst ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 968, 969, &end # # 10 LYS HN 11 ALA HN 4.00 473 &rst ixpk= 0, nxpk= 0, iat= 109, 131, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 32 LYS HN 33 ALA HN 4.00 473 &rst ixpk= 0, nxpk= 0, iat= 391, 413, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 54 LYS HN 55 ALA HN 4.00 473 &rst ixpk= 0, nxpk= 0, iat= 673, 695, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 76 LYS HN 77 ALA HN 4.00 473 &rst ixpk= 0, nxpk= 0, iat= 955, 977, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 10 LYS HN 11 ALA QB 6.53 428 &rst ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 135, 136, 137, &end # # 32 LYS HN 33 ALA QB 6.53 428 &rst ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 417, 418, 419, &end # # 54 LYS HN 55 ALA QB 6.53 428 &rst ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 699, 700, 701, &end # # 76 LYS HN 77 ALA QB 6.53 428 &rst ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 981, 982, 983, &end # # 10 LYS HN 12 ILE HN 6.00 440 &rst ixpk= 0, nxpk= 0, iat= 109, 141, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 32 LYS HN 34 ILE HN 6.00 440 &rst ixpk= 0, nxpk= 0, iat= 391, 423, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 54 LYS HN 56 ILE HN 6.00 440 &rst ixpk= 0, nxpk= 0, iat= 673, 705, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 76 LYS HN 78 ILE HN 6.00 440 &rst ixpk= 0, nxpk= 0, iat= 955, 987, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 10 LYS HN 13 ALA HN 6.50 462 &rst ixpk= 0, nxpk= 0, iat= 109, 160, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 32 LYS HN 35 ALA HN 6.50 462 &rst ixpk= 0, nxpk= 0, iat= 391, 442, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 54 LYS HN 57 ALA HN 6.50 462 &rst ixpk= 0, nxpk= 0, iat= 673, 724, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 76 LYS HN 79 ALA HN 6.50 462 &rst ixpk= 0, nxpk= 0, iat= 955,1006, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 10 LYS HN 13 ALA QB 7.03 393 &rst ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 164, 165, 166, &end # # 32 LYS HN 35 ALA QB 7.03 393 &rst ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 446, 447, 448, &end # # 54 LYS HN 57 ALA QB 7.03 393 &rst ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 728, 729, 730, &end # # 76 LYS HN 79 ALA QB 7.03 393 &rst ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2=1010,1011,1012, &end # # 10 LYS HA 10 LYS QB 3.55 434 &rst ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 113, 114, &end # # 32 LYS HA 32 LYS QB 3.55 434 &rst ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 395, 396, &end # # 54 LYS HA 54 LYS QB 3.55 434 &rst ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 677, 678, &end # # 76 LYS HA 76 LYS QB 3.55 434 &rst ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 959, 960, &end # # 10 LYS HA 10 LYS QG 4.73 417 &rst ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 116, 117, &end # # 32 LYS HA 32 LYS QG 4.73 417 &rst ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 398, 399, &end # # 54 LYS HA 54 LYS QG 4.73 417 &rst ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 680, 681, &end # # 76 LYS HA 76 LYS QG 4.73 417 &rst ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 962, 963, &end # # 10 LYS HA 10 LYS QD 6.38 416 &rst ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2= 119, 120, &end # # 32 LYS HA 32 LYS QD 6.38 416 &rst ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2= 401, 402, &end # # 54 LYS HA 54 LYS QD 6.38 416 &rst ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2= 683, 684, &end # # 76 LYS HA 76 LYS QD 6.38 416 &rst ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2= 965, 966, &end # # 10 LYS HA 11 ALA HN 5.00 19 &rst ixpk= 0, nxpk= 0, iat= 111, 131, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 32 LYS HA 33 ALA HN 5.00 19 &rst ixpk= 0, nxpk= 0, iat= 393, 413, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 54 LYS HA 55 ALA HN 5.00 19 &rst ixpk= 0, nxpk= 0, iat= 675, 695, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 76 LYS HA 77 ALA HN 5.00 19 &rst ixpk= 0, nxpk= 0, iat= 957, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 10 LYS HA 12 ILE HN 7.50 18 &rst ixpk= 0, nxpk= 0, iat= 111, 141, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 32 LYS HA 34 ILE HN 7.50 18 &rst ixpk= 0, nxpk= 0, iat= 393, 423, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 54 LYS HA 56 ILE HN 7.50 18 &rst ixpk= 0, nxpk= 0, iat= 675, 705, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 76 LYS HA 78 ILE HN 7.50 18 &rst ixpk= 0, nxpk= 0, iat= 957, 987, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 10 LYS HA 13 ALA HN 4.60 486 &rst ixpk= 0, nxpk= 0, iat= 111, 160, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 32 LYS HA 35 ALA HN 4.60 486 &rst ixpk= 0, nxpk= 0, iat= 393, 442, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 54 LYS HA 57 ALA HN 4.60 486 &rst ixpk= 0, nxpk= 0, iat= 675, 724, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 76 LYS HA 79 ALA HN 4.60 486 &rst ixpk= 0, nxpk= 0, iat= 957,1006, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 10 LYS HA 13 ALA QB 5.04 418 &rst ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2= 164, 165, 166, &end # # 32 LYS HA 35 ALA QB 5.04 418 &rst ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2= 446, 447, 448, &end # # 54 LYS HA 57 ALA QB 5.04 418 &rst ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2= 728, 729, 730, &end # # 76 LYS HA 79 ALA QB 5.04 418 &rst ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=1010,1011,1012, &end # # 10 LYS HA 14 ALA HN 6.50 20 &rst ixpk= 0, nxpk= 0, iat= 111, 170, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 32 LYS HA 36 ALA HN 6.50 20 &rst ixpk= 0, nxpk= 0, iat= 393, 452, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 54 LYS HA 58 ALA HN 6.50 20 &rst ixpk= 0, nxpk= 0, iat= 675, 734, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 76 LYS HA 80 ALA HN 6.50 20 &rst ixpk= 0, nxpk= 0, iat= 957,1016, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 10 LYS QB 10 LYS QE 6.50 326 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 113, 114, igr2= 122, 123, &end # # 32 LYS QB 32 LYS QE 6.50 326 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 395, 396, igr2= 404, 405, &end # # 54 LYS QB 54 LYS QE 6.50 326 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 677, 678, igr2= 686, 687, &end # # 76 LYS QB 76 LYS QE 6.50 326 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 959, 960, igr2= 968, 969, &end # # 10 LYS HB2 11 ALA HN 4.10 410 &rst ixpk= 0, nxpk= 0, iat= 113, 131, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 32 LYS HB2 33 ALA HN 4.10 410 &rst ixpk= 0, nxpk= 0, iat= 395, 413, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 54 LYS HB2 55 ALA HN 4.10 410 &rst ixpk= 0, nxpk= 0, iat= 677, 695, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 76 LYS HB2 77 ALA HN 4.10 410 &rst ixpk= 0, nxpk= 0, iat= 959, 977, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 10 LYS QG 10 LYS QE 4.25 436 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 116, 117, igr2= 122, 123, &end # # 32 LYS QG 32 LYS QE 4.25 436 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 398, 399, igr2= 404, 405, &end # # 54 LYS QG 54 LYS QE 4.25 436 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 680, 681, igr2= 686, 687, &end # # 76 LYS QG 76 LYS QE 4.25 436 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 962, 963, igr2= 968, 969, &end # # 10 LYS QD 10 LYS QE 3.25 324 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, igr1= 119, 120, igr2= 122, 123, &end # # 32 LYS QD 32 LYS QE 3.25 324 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, igr1= 401, 402, igr2= 404, 405, &end # # 54 LYS QD 54 LYS QE 3.25 324 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, igr1= 683, 684, igr2= 686, 687, &end # # 76 LYS QD 76 LYS QE 3.25 324 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, igr1= 965, 966, igr2= 968, 969, &end # # 10 LYS QD 11 ALA HN 7.38 372 &rst ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88, igr1= 119, 120, &end # # 32 LYS QD 33 ALA HN 7.38 372 &rst ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88, igr1= 401, 402, &end # # 54 LYS QD 55 ALA HN 7.38 372 &rst ixpk= 0, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88, igr1= 683, 684, &end # # 76 LYS QD 77 ALA HN 7.38 372 &rst ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88, igr1= 965, 966, &end # # 11 ALA HN 11 ALA HA 3.50 6 &rst ixpk= 0, nxpk= 0, iat= 131, 133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 33 ALA HN 33 ALA HA 3.50 6 &rst ixpk= 0, nxpk= 0, iat= 413, 415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 55 ALA HN 55 ALA HA 3.50 6 &rst ixpk= 0, nxpk= 0, iat= 695, 697, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 77 ALA HN 77 ALA HA 3.50 6 &rst ixpk= 0, nxpk= 0, iat= 977, 979, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 11 ALA HN 11 ALA QB 3.50 219 &rst ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 135, 136, 137, &end # # 33 ALA HN 33 ALA QB 3.50 219 &rst ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 417, 418, 419, &end # # 55 ALA HN 55 ALA QB 3.50 219 &rst ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 699, 700, 701, &end # # 77 ALA HN 77 ALA QB 3.50 219 &rst ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 981, 982, 983, &end # # 11 ALA HN 12 ILE HN 4.00 406 &rst ixpk= 0, nxpk= 0, iat= 131, 141, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 33 ALA HN 34 ILE HN 4.00 406 &rst ixpk= 0, nxpk= 0, iat= 413, 423, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 55 ALA HN 56 ILE HN 4.00 406 &rst ixpk= 0, nxpk= 0, iat= 695, 705, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 77 ALA HN 78 ILE HN 4.00 406 &rst ixpk= 0, nxpk= 0, iat= 977, 987, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 11 ALA HN 12 ILE HA 7.50 406 &rst ixpk= 0, nxpk= 0, iat= 131, 143, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 33 ALA HN 34 ILE HA 7.50 406 &rst ixpk= 0, nxpk= 0, iat= 413, 425, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 55 ALA HN 56 ILE HA 7.50 406 &rst ixpk= 0, nxpk= 0, iat= 695, 707, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 77 ALA HN 78 ILE HA 7.50 406 &rst ixpk= 0, nxpk= 0, iat= 977, 989, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 11 ALA HN 12 ILE HB 6.00 411 &rst ixpk= 0, nxpk= 0, iat= 131, 145, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 33 ALA HN 34 ILE HB 6.00 411 &rst ixpk= 0, nxpk= 0, iat= 413, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 55 ALA HN 56 ILE HB 6.00 411 &rst ixpk= 0, nxpk= 0, iat= 695, 709, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 77 ALA HN 78 ILE HB 6.00 411 &rst ixpk= 0, nxpk= 0, iat= 977, 991, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 11 ALA HN 12 ILE QG1 7.56 256 &rst ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr2= 151, 152, &end # # 33 ALA HN 34 ILE QG1 7.56 256 &rst ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr2= 433, 434, &end # # 55 ALA HN 56 ILE QG1 7.56 256 &rst ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr2= 715, 716, &end # # 77 ALA HN 78 ILE QG1 7.56 256 &rst ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr2= 997, 998, &end # # 11 ALA HN 13 ALA HN 6.00 461 &rst ixpk= 0, nxpk= 0, iat= 131, 160, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 33 ALA HN 35 ALA HN 6.00 461 &rst ixpk= 0, nxpk= 0, iat= 413, 442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 55 ALA HN 57 ALA HN 6.00 461 &rst ixpk= 0, nxpk= 0, iat= 695, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 77 ALA HN 79 ALA HN 6.00 461 &rst ixpk= 0, nxpk= 0, iat= 977,1006, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 11 ALA HN 37 ILE QG2 8.03 255 &rst ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 468, 469, 470, &end # # 33 ALA HN 15 ILE QG2 8.03 255 &rst ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 186, 187, 188, &end # # 55 ALA HN 81 ILE QG2 8.03 255 &rst ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2=1032,1033,1034, &end # # 77 ALA HN 59 ILE QG2 8.03 255 &rst ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr2= 750, 751, 752, &end # # 11 ALA HN 15 ILE QD1 7.53 257 &rst ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 193, 194, 195, &end # # 33 ALA HN 37 ILE QD1 7.53 257 &rst ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 475, 476, 477, &end # # 55 ALA HN 59 ILE QD1 7.53 257 &rst ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 757, 758, 759, &end # # 77 ALA HN 81 ILE QD1 7.53 257 &rst ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2=1039,1040,1041, &end # # 11 ALA HA 11 ALA QB 3.48 403 &rst ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2= 135, 136, 137, &end # # 33 ALA HA 33 ALA QB 3.48 403 &rst ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2= 417, 418, 419, &end # # 55 ALA HA 55 ALA QB 3.48 403 &rst ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2= 699, 700, 701, &end # # 77 ALA HA 77 ALA QB 3.48 403 &rst ixpk= 0, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2= 981, 982, 983, &end # # 11 ALA HA 13 ALA HN 6.00 49 &rst ixpk= 0, nxpk= 0, iat= 133, 160, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 33 ALA HA 35 ALA HN 6.00 49 &rst ixpk= 0, nxpk= 0, iat= 415, 442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 55 ALA HA 57 ALA HN 6.00 49 &rst ixpk= 0, nxpk= 0, iat= 697, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 77 ALA HA 79 ALA HN 6.00 49 &rst ixpk= 0, nxpk= 0, iat= 979,1006, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 11 ALA QB 12 ILE HN 5.53 405 &rst ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 135, 136, 137, &end # # 33 ALA QB 34 ILE HN 5.53 405 &rst ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 417, 418, 419, &end # # 55 ALA QB 56 ILE HN 5.53 405 &rst ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 699, 700, 701, &end # # 77 ALA QB 78 ILE HN 5.53 405 &rst ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 981, 982, 983, &end # # 11 ALA QB 12 ILE HA 6.03 549 &rst ixpk= 0, nxpk= 0, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 135, 136, 137, &end # # 33 ALA QB 34 ILE HA 6.03 549 &rst ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 417, 418, 419, &end # # 55 ALA QB 56 ILE HA 6.03 549 &rst ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 699, 700, 701, &end # # 77 ALA QB 78 ILE HA 6.03 549 &rst ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 981, 982, 983, &end # # 16 ILE QG1 12 ILE QD1 6.56 597 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1= 209, 210, igr2= 154, 155, 156, &end # # 38 ILE QG1 34 ILE QD1 6.56 597 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1= 491, 492, igr2= 436, 437, 438, &end # # 60 ILE QG1 56 ILE QD1 6.56 597 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1= 773, 774, igr2= 718, 719, 720, &end # # 82 ILE QG1 78 ILE QD1 6.56 597 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1=1055,1056, igr2=1000,1001,1002, &end # # 12 ILE HN 12 ILE HA 3.50 43 &rst ixpk= 0, nxpk= 0, iat= 141, 143, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 ILE HN 34 ILE HA 3.50 43 &rst ixpk= 0, nxpk= 0, iat= 423, 425, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 56 ILE HN 56 ILE HA 3.50 43 &rst ixpk= 0, nxpk= 0, iat= 705, 707, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 78 ILE HN 78 ILE HA 3.50 43 &rst ixpk= 0, nxpk= 0, iat= 987, 989, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 12 ILE HN 12 ILE HB 3.80 91 &rst ixpk= 0, nxpk= 0, iat= 141, 145, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 34 ILE HN 34 ILE HB 3.80 91 &rst ixpk= 0, nxpk= 0, iat= 423, 427, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 56 ILE HN 56 ILE HB 3.80 91 &rst ixpk= 0, nxpk= 0, iat= 705, 709, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 78 ILE HN 78 ILE HB 3.80 91 &rst ixpk= 0, nxpk= 0, iat= 987, 991, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 12 ILE HN 12 ILE QD1 5.03 67 &rst ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2= 154, 155, 156, &end # # 34 ILE HN 34 ILE QD1 5.03 67 &rst ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2= 436, 437, 438, &end # # 56 ILE HN 56 ILE QD1 5.03 67 &rst ixpk= 0, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2= 718, 719, 720, &end # # 78 ILE HN 78 ILE QD1 5.03 67 &rst ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2=1000,1001,1002, &end # # 12 ILE HN 12 ILE QG2 4.50 96 &rst ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 147, 148, 149, &end # # 34 ILE HN 34 ILE QG2 4.50 96 &rst ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 429, 430, 431, &end # # 56 ILE HN 56 ILE QG2 4.50 96 &rst ixpk= 0, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 711, 712, 713, &end # # 78 ILE HN 78 ILE QG2 4.50 96 &rst ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 993, 994, 995, &end # # 12 ILE HN 12 ILE QG1 4.10 69 &rst ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 151, 152, &end # # 34 ILE HN 34 ILE QG1 4.10 69 &rst ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 433, 434, &end # # 56 ILE HN 56 ILE QG1 4.10 69 &rst ixpk= 0, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 715, 716, &end # # 78 ILE HN 78 ILE QG1 4.10 69 &rst ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 997, 998, &end # # 12 ILE HN 13 ALA HN 3.50 59 &rst ixpk= 0, nxpk= 0, iat= 141, 160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 ILE HN 35 ALA HN 3.50 59 &rst ixpk= 0, nxpk= 0, iat= 423, 442, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 56 ILE HN 57 ALA HN 3.50 59 &rst ixpk= 0, nxpk= 0, iat= 705, 724, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 78 ILE HN 79 ALA HN 3.50 59 &rst ixpk= 0, nxpk= 0, iat= 987,1006, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 12 ILE HN 15 ILE HN 6.50 464 &rst ixpk= 0, nxpk= 0, iat= 141, 180, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 34 ILE HN 37 ILE HN 6.50 464 &rst ixpk= 0, nxpk= 0, iat= 423, 462, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 56 ILE HN 59 ILE HN 6.50 464 &rst ixpk= 0, nxpk= 0, iat= 705, 744, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 78 ILE HN 81 ILE HN 6.50 464 &rst ixpk= 0, nxpk= 0, iat= 987,1026, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 12 ILE HN 15 ILE QG2 5.53 68 &rst ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2= 186, 187, 188, &end # # 34 ILE HN 37 ILE QG2 5.53 68 &rst ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2= 468, 469, 470, &end # # 56 ILE HN 59 ILE QG2 5.53 68 &rst ixpk= 0, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2= 750, 751, 752, &end # # 78 ILE HN 81 ILE QG2 5.53 68 &rst ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2=1032,1033,1034, &end # # 12 ILE HA 12 ILE HB 4.00 104 &rst ixpk= 0, nxpk= 0, iat= 143, 145, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 34 ILE HA 34 ILE HB 4.00 104 &rst ixpk= 0, nxpk= 0, iat= 425, 427, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 56 ILE HA 56 ILE HB 4.00 104 &rst ixpk= 0, nxpk= 0, iat= 707, 709, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 78 ILE HA 78 ILE HB 4.00 104 &rst ixpk= 0, nxpk= 0, iat= 989, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 12 ILE HA 12 ILE QD1 5.50 99 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 154, 155, 156, &end # # 34 ILE HA 34 ILE QD1 5.50 99 &rst ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 436, 437, 438, &end # # 56 ILE HA 56 ILE QD1 5.50 99 &rst ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 718, 719, 720, &end # # 78 ILE HA 78 ILE QD1 5.50 99 &rst ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2=1000,1001,1002, &end # # 12 ILE HA 12 ILE QG2 3.73 128 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr2= 147, 148, 149, &end # # 34 ILE HA 34 ILE QG2 3.73 128 &rst ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr2= 429, 430, 431, &end # # 56 ILE HA 56 ILE QG2 3.73 128 &rst ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr2= 711, 712, 713, &end # # 78 ILE HA 78 ILE QG2 3.73 128 &rst ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr2= 993, 994, 995, &end # # 12 ILE HA 12 ILE QG1 4.53 101 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 151, 152, &end # # 34 ILE HA 34 ILE QG1 4.53 101 &rst ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 433, 434, &end # # 56 ILE HA 56 ILE QG1 4.53 101 &rst ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 715, 716, &end # # 78 ILE HA 78 ILE QG1 4.53 101 &rst ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 997, 998, &end # # 12 ILE HA 13 ALA HN 4.49 88 &rst ixpk= 0, nxpk= 0, iat= 143, 160, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 34 ILE HA 35 ALA HN 4.49 88 &rst ixpk= 0, nxpk= 0, iat= 425, 442, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 56 ILE HA 57 ALA HN 4.49 88 &rst ixpk= 0, nxpk= 0, iat= 707, 724, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 78 ILE HA 79 ALA HN 4.49 88 &rst ixpk= 0, nxpk= 0, iat= 989,1006, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 12 ILE HA 14 ALA HN 6.00 46 &rst ixpk= 0, nxpk= 0, iat= 143, 170, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 34 ILE HA 36 ALA HN 6.00 46 &rst ixpk= 0, nxpk= 0, iat= 425, 452, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 56 ILE HA 58 ALA HN 6.00 46 &rst ixpk= 0, nxpk= 0, iat= 707, 734, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 78 ILE HA 80 ALA HN 6.00 46 &rst ixpk= 0, nxpk= 0, iat= 989,1016, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 12 ILE HA 15 ILE HN 4.00 493 &rst ixpk= 0, nxpk= 0, iat= 143, 180, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 34 ILE HA 37 ILE HN 4.00 493 &rst ixpk= 0, nxpk= 0, iat= 425, 462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 56 ILE HA 59 ILE HN 4.00 493 &rst ixpk= 0, nxpk= 0, iat= 707, 744, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 78 ILE HA 81 ILE HN 4.00 493 &rst ixpk= 0, nxpk= 0, iat= 989,1026, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 12 ILE HA 15 ILE HA 5.50 607 &rst ixpk= 0, nxpk= 0, iat= 143, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 ILE HA 37 ILE HA 5.50 607 &rst ixpk= 0, nxpk= 0, iat= 425, 464, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 56 ILE HA 59 ILE HA 5.50 607 &rst ixpk= 0, nxpk= 0, iat= 707, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 78 ILE HA 81 ILE HA 5.50 607 &rst ixpk= 0, nxpk= 0, iat= 989,1028, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 12 ILE HA 15 ILE HB 4.00 574 &rst ixpk= 0, nxpk= 0, iat= 143, 184, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 34 ILE HA 37 ILE HB 4.00 574 &rst ixpk= 0, nxpk= 0, iat= 425, 466, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 56 ILE HA 59 ILE HB 4.00 574 &rst ixpk= 0, nxpk= 0, iat= 707, 748, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 78 ILE HA 81 ILE HB 4.00 574 &rst ixpk= 0, nxpk= 0, iat= 989,1030, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 12 ILE HA 15 ILE QG2 5.41 553 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr2= 186, 187, 188, &end # # 34 ILE HA 37 ILE QG2 5.41 553 &rst ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr2= 468, 469, 470, &end # # 56 ILE HA 59 ILE QG2 5.41 553 &rst ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr2= 750, 751, 752, &end # # 78 ILE HA 81 ILE QG2 5.41 553 &rst ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr2=1032,1033,1034, &end # # 12 ILE HA 15 ILE QG1 5.50 631 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 190, 191, &end # # 34 ILE HA 37 ILE QG1 5.50 631 &rst ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 472, 473, &end # # 56 ILE HA 59 ILE QG1 5.50 631 &rst ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 754, 755, &end # # 78 ILE HA 81 ILE QG1 5.50 631 &rst ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2=1036,1037, &end # # 12 ILE HA 16 ILE HN 5.50 497 &rst ixpk= 0, nxpk= 0, iat= 143, 199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 ILE HA 38 ILE HN 5.50 497 &rst ixpk= 0, nxpk= 0, iat= 425, 481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 56 ILE HA 60 ILE HN 5.50 497 &rst ixpk= 0, nxpk= 0, iat= 707, 763, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 78 ILE HA 82 ILE HN 5.50 497 &rst ixpk= 0, nxpk= 0, iat= 989,1045, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 12 ILE HB 12 ILE QD1 3.53 122 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 154, 155, 156, &end # # 34 ILE HB 34 ILE QD1 3.53 122 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 436, 437, 438, &end # # 56 ILE HB 56 ILE QD1 3.53 122 &rst ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 718, 719, 720, &end # # 78 ILE HB 78 ILE QD1 3.53 122 &rst ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2=1000,1001,1002, &end # # 12 ILE HB 12 ILE QG2 3.50 111 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 147, 148, 149, &end # # 34 ILE HB 34 ILE QG2 3.50 111 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 429, 430, 431, &end # # 56 ILE HB 56 ILE QG2 3.50 111 &rst ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 711, 712, 713, &end # # 78 ILE HB 78 ILE QG2 3.50 111 &rst ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 993, 994, 995, &end # # 12 ILE HB 12 ILE QG1 3.53 124 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 151, 152, &end # # 34 ILE HB 34 ILE QG1 3.53 124 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 433, 434, &end # # 56 ILE HB 56 ILE QG1 3.53 124 &rst ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 715, 716, &end # # 78 ILE HB 78 ILE QG1 3.53 124 &rst ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 997, 998, &end # # 12 ILE HB 13 ALA HN 4.50 92 &rst ixpk= 0, nxpk= 0, iat= 145, 160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 34 ILE HB 35 ALA HN 4.50 92 &rst ixpk= 0, nxpk= 0, iat= 427, 442, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 56 ILE HB 57 ALA HN 4.50 92 &rst ixpk= 0, nxpk= 0, iat= 709, 724, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 78 ILE HB 79 ALA HN 4.50 92 &rst ixpk= 0, nxpk= 0, iat= 991,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 12 ILE HB 15 ILE QG2 6.53 583 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 186, 187, 188, &end # # 34 ILE HB 37 ILE QG2 6.53 583 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 468, 469, 470, &end # # 56 ILE HB 59 ILE QG2 6.53 583 &rst ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 750, 751, 752, &end # # 78 ILE HB 81 ILE QG2 6.53 583 &rst ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2=1032,1033,1034, &end # # 12 ILE HB 15 ILE QG1 7.50 640 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 190, 191, &end # # 34 ILE HB 37 ILE QG1 7.50 640 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 472, 473, &end # # 56 ILE HB 59 ILE QG1 7.50 640 &rst ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 754, 755, &end # # 78 ILE HB 81 ILE QG1 7.50 640 &rst ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2=1036,1037, &end # # 12 ILE HB 16 ILE QG1 6.50 639 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 209, 210, &end # # 34 ILE HB 38 ILE QG1 6.50 639 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 491, 492, &end # # 56 ILE HB 60 ILE QG1 6.50 639 &rst ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 773, 774, &end # # 78 ILE HB 82 ILE QG1 6.50 639 &rst ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2=1055,1056, &end # # 12 ILE QD1 12 ILE QG1 3.53 108 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 154, 155, 156, igr2= 151, 152, &end # # 34 ILE QD1 34 ILE QG1 3.53 108 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 436, 437, 438, igr2= 433, 434, &end # # 56 ILE QD1 56 ILE QG1 3.53 108 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 718, 719, 720, igr2= 715, 716, &end # # 78 ILE QD1 78 ILE QG1 3.53 108 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1000,1001,1002, igr2= 997, 998, &end # # 12 ILE QD1 13 ALA HN 5.08 97 &rst ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 154, 155, 156, &end # # 34 ILE QD1 35 ALA HN 5.08 97 &rst ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 436, 437, 438, &end # # 56 ILE QD1 57 ALA HN 5.08 97 &rst ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 718, 719, 720, &end # # 78 ILE QD1 79 ALA HN 5.08 97 &rst ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1=1000,1001,1002, &end # # 12 ILE QD1 15 ILE HN 8.00 178 &rst ixpk= 0, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 154, 155, 156, &end # # 34 ILE QD1 37 ILE HN 8.00 178 &rst ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 436, 437, 438, &end # # 56 ILE QD1 59 ILE HN 8.00 178 &rst ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 718, 719, 720, &end # # 78 ILE QD1 81 ILE HN 8.00 178 &rst ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1=1000,1001,1002, &end # # 12 ILE QD1 15 ILE HB 8.03 192 &rst ixpk= 0, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 154, 155, 156, &end # # 34 ILE QD1 37 ILE HB 8.03 192 &rst ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 436, 437, 438, &end # # 56 ILE QD1 59 ILE HB 8.03 192 &rst ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 718, 719, 720, &end # # 78 ILE QD1 81 ILE HB 8.03 192 &rst ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1=1000,1001,1002, &end # # 12 ILE QD1 15 ILE QG2 8.56 118 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, igr1= 154, 155, 156, igr2= 186, 187, 188, &end # # 34 ILE QD1 37 ILE QG2 8.56 118 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, igr1= 436, 437, 438, igr2= 468, 469, 470, &end # # 56 ILE QD1 59 ILE QG2 8.56 118 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, igr1= 718, 719, 720, igr2= 750, 751, 752, &end # # 78 ILE QD1 81 ILE QG2 8.56 118 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, igr1=1000,1001,1002, igr2=1032,1033,1034, &end # # 12 ILE QD1 21 HIS HD2 8.03 544 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 154, 155, 156, &end # # 34 ILE QD1 43 HIS HD2 8.03 544 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 436, 437, 438, &end # # 56 ILE QD1 65 HIS HD2 8.03 544 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1= 718, 719, 720, &end # # 78 ILE QD1 87 HIS HD2 8.03 544 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1=1000,1001,1002, &end # # 12 ILE QG1 12 ILE QG2 4.50 110 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 151, 152, igr2= 147, 148, 149, &end # # 34 ILE QG1 34 ILE QG2 4.50 110 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 433, 434, igr2= 429, 430, 431, &end # # 56 ILE QG1 56 ILE QG2 4.50 110 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 715, 716, igr2= 711, 712, 713, &end # # 78 ILE QG1 78 ILE QG2 4.50 110 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 997, 998, igr2= 993, 994, 995, &end # # 12 ILE QG1 13 ALA HN 3.50 93 &rst ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr1= 151, 152, &end # # 34 ILE QG1 35 ALA HN 3.50 93 &rst ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr1= 433, 434, &end # # 56 ILE QG1 57 ALA HN 3.50 93 &rst ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr1= 715, 716, &end # # 78 ILE QG1 79 ALA HN 3.50 93 &rst ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr1= 997, 998, &end # # 12 ILE QG1 16 ILE QD1 7.53 626 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 151, 152, igr2= 212, 213, 214, &end # # 34 ILE QG1 38 ILE QD1 7.53 626 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 433, 434, igr2= 494, 495, 496, &end # # 56 ILE QG1 60 ILE QD1 7.53 626 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 715, 716, igr2= 776, 777, 778, &end # # 78 ILE QG1 82 ILE QD1 7.53 626 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 997, 998, igr2=1058,1059,1060, &end # # 12 ILE QG2 13 ALA HN 6.00 72 &rst ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 147, 148, 149, &end # # 34 ILE QG2 35 ALA HN 6.00 72 &rst ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 429, 430, 431, &end # # 56 ILE QG2 57 ALA HN 6.00 72 &rst ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 711, 712, 713, &end # # 78 ILE QG2 79 ALA HN 6.00 72 &rst ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 993, 994, 995, &end # # 12 ILE QG2 13 ALA HA 7.00 183 &rst ixpk= 0, nxpk= 0, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 147, 148, 149, &end # # 34 ILE QG2 35 ALA HA 7.00 183 &rst ixpk= 0, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 429, 430, 431, &end # # 56 ILE QG2 57 ALA HA 7.00 183 &rst ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 711, 712, 713, &end # # 78 ILE QG2 79 ALA HA 7.00 183 &rst ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 993, 994, 995, &end # # 12 ILE QG2 14 ALA HN 8.00 254 &rst ixpk= 0, nxpk= 0, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 147, 148, 149, &end # # 34 ILE QG2 36 ALA HN 8.00 254 &rst ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 429, 430, 431, &end # # 56 ILE QG2 58 ALA HN 8.00 254 &rst ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 711, 712, 713, &end # # 78 ILE QG2 80 ALA HN 8.00 254 &rst ixpk= 0, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 993, 994, 995, &end # # 12 ILE QG2 16 ILE QG1 6.50 627 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 147, 148, 149, igr2= 209, 210, &end # # 34 ILE QG2 38 ILE QG1 6.50 627 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 429, 430, 431, igr2= 491, 492, &end # # 56 ILE QG2 60 ILE QG1 6.50 627 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 711, 712, 713, igr2= 773, 774, &end # # 78 ILE QG2 82 ILE QG1 6.50 627 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 993, 994, 995, igr2=1055,1056, &end # # 12 ILE QG1 15 ILE HB 8.53 190 &rst ixpk= 0, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 151, 152, &end # # 34 ILE QG1 37 ILE HB 8.53 190 &rst ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 433, 434, &end # # 56 ILE QG1 59 ILE HB 8.53 190 &rst ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 715, 716, &end # # 78 ILE QG1 81 ILE HB 8.53 190 &rst ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 997, 998, &end # # 13 ALA HN 13 ALA HA 3.24 51 &rst ixpk= 0, nxpk= 0, iat= 160, 162, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 35 ALA HN 35 ALA HA 3.24 51 &rst ixpk= 0, nxpk= 0, iat= 442, 444, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 57 ALA HN 57 ALA HA 3.24 51 &rst ixpk= 0, nxpk= 0, iat= 724, 726, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 79 ALA HN 79 ALA HA 3.24 51 &rst ixpk= 0, nxpk= 0, iat=1006,1008, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 13 ALA HN 13 ALA QB 3.49 65 &rst ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr2= 164, 165, 166, &end # # 35 ALA HN 35 ALA QB 3.49 65 &rst ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr2= 446, 447, 448, &end # # 57 ALA HN 57 ALA QB 3.49 65 &rst ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr2= 728, 729, 730, &end # # 79 ALA HN 79 ALA QB 3.49 65 &rst ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr2=1010,1011,1012, &end # # 13 ALA HN 14 ALA HN 3.70 235 &rst ixpk= 0, nxpk= 0, iat= 160, 170, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 35 ALA HN 36 ALA HN 3.70 235 &rst ixpk= 0, nxpk= 0, iat= 442, 452, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 57 ALA HN 58 ALA HN 3.70 235 &rst ixpk= 0, nxpk= 0, iat= 724, 734, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 79 ALA HN 80 ALA HN 3.70 235 &rst ixpk= 0, nxpk= 0, iat=1006,1016, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 13 ALA HN 15 ILE HN 6.50 463 &rst ixpk= 0, nxpk= 0, iat= 160, 180, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 35 ALA HN 37 ILE HN 6.50 463 &rst ixpk= 0, nxpk= 0, iat= 442, 462, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 57 ALA HN 59 ILE HN 6.50 463 &rst ixpk= 0, nxpk= 0, iat= 724, 744, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 79 ALA HN 81 ILE HN 6.50 463 &rst ixpk= 0, nxpk= 0, iat=1006,1026, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 13 ALA HN 15 ILE HA 7.50 485 &rst ixpk= 0, nxpk= 0, iat= 160, 182, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 35 ALA HN 37 ILE HA 7.50 485 &rst ixpk= 0, nxpk= 0, iat= 442, 464, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 57 ALA HN 59 ILE HA 7.50 485 &rst ixpk= 0, nxpk= 0, iat= 724, 746, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 79 ALA HN 81 ILE HA 7.50 485 &rst ixpk= 0, nxpk= 0, iat=1006,1028, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 13 ALA HN 16 ILE HN 7.00 458 &rst ixpk= 0, nxpk= 0, iat= 160, 199, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 35 ALA HN 38 ILE HN 7.00 458 &rst ixpk= 0, nxpk= 0, iat= 442, 481, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 57 ALA HN 60 ILE HN 7.00 458 &rst ixpk= 0, nxpk= 0, iat= 724, 763, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 79 ALA HN 82 ILE HN 7.00 458 &rst ixpk= 0, nxpk= 0, iat=1006,1045, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 13 ALA HN 16 ILE HB 5.50 487 &rst ixpk= 0, nxpk= 0, iat= 160, 203, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 35 ALA HN 38 ILE HB 5.50 487 &rst ixpk= 0, nxpk= 0, iat= 442, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 57 ALA HN 60 ILE HB 5.50 487 &rst ixpk= 0, nxpk= 0, iat= 724, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 79 ALA HN 82 ILE HB 5.50 487 &rst ixpk= 0, nxpk= 0, iat=1006,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 13 ALA HN 16 ILE QG2 7.03 71 &rst ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 205, 206, 207, &end # # 35 ALA HN 38 ILE QG2 7.03 71 &rst ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 487, 488, 489, &end # # 57 ALA HN 60 ILE QG2 7.03 71 &rst ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2= 769, 770, 771, &end # # 79 ALA HN 82 ILE QG2 7.03 71 &rst ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr2=1051,1052,1053, &end # # 13 ALA HN 16 ILE QD1 6.03 488 &rst ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2= 212, 213, 214, &end # # 35 ALA HN 38 ILE QD1 6.03 488 &rst ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2= 494, 495, 496, &end # # 57 ALA HN 60 ILE QD1 6.03 488 &rst ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2= 776, 777, 778, &end # # 79 ALA HN 82 ILE QD1 6.03 488 &rst ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2=1058,1059,1060, &end # # 13 ALA HA 13 ALA QB 3.53 61 &rst ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 164, 165, 166, &end # # 35 ALA HA 35 ALA QB 3.53 61 &rst ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 446, 447, 448, &end # # 57 ALA HA 57 ALA QB 3.53 61 &rst ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 728, 729, 730, &end # # 79 ALA HA 79 ALA QB 3.53 61 &rst ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2=1010,1011,1012, &end # # 13 ALA HA 14 ALA HN 4.45 233 &rst ixpk= 0, nxpk= 0, iat= 162, 170, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 35 ALA HA 36 ALA HN 4.45 233 &rst ixpk= 0, nxpk= 0, iat= 444, 452, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 57 ALA HA 58 ALA HN 4.45 233 &rst ixpk= 0, nxpk= 0, iat= 726, 734, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 79 ALA HA 80 ALA HN 4.45 233 &rst ixpk= 0, nxpk= 0, iat=1008,1016, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 13 ALA HA 15 ILE HN 6.00 32 &rst ixpk= 0, nxpk= 0, iat= 162, 180, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 35 ALA HA 37 ILE HN 6.00 32 &rst ixpk= 0, nxpk= 0, iat= 444, 462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 57 ALA HA 59 ILE HN 6.00 32 &rst ixpk= 0, nxpk= 0, iat= 726, 744, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 79 ALA HA 81 ILE HN 6.00 32 &rst ixpk= 0, nxpk= 0, iat=1008,1026, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 13 ALA HA 16 ILE HN 4.50 63 &rst ixpk= 0, nxpk= 0, iat= 162, 199, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 35 ALA HA 38 ILE HN 4.50 63 &rst ixpk= 0, nxpk= 0, iat= 444, 481, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 57 ALA HA 60 ILE HN 4.50 63 &rst ixpk= 0, nxpk= 0, iat= 726, 763, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 79 ALA HA 82 ILE HN 4.50 63 &rst ixpk= 0, nxpk= 0, iat=1008,1045, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 13 ALA HA 16 ILE HB 3.80 573 &rst ixpk= 0, nxpk= 0, iat= 162, 203, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 35 ALA HA 38 ILE HB 3.80 573 &rst ixpk= 0, nxpk= 0, iat= 444, 485, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 57 ALA HA 60 ILE HB 3.80 573 &rst ixpk= 0, nxpk= 0, iat= 726, 767, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 79 ALA HA 82 ILE HB 3.80 573 &rst ixpk= 0, nxpk= 0, iat=1008,1049, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 13 ALA HA 16 ILE QG2 5.01 130 &rst ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2= 205, 206, 207, &end # # 35 ALA HA 38 ILE QG2 5.01 130 &rst ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2= 487, 488, 489, &end # # 57 ALA HA 60 ILE QG2 5.01 130 &rst ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2= 769, 770, 771, &end # # 79 ALA HA 82 ILE QG2 5.01 130 &rst ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2=1051,1052,1053, &end # # 13 ALA HA 16 ILE QD1 4.53 132 &rst ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 212, 213, 214, &end # # 35 ALA HA 38 ILE QD1 4.53 132 &rst ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 494, 495, 496, &end # # 57 ALA HA 60 ILE QD1 4.53 132 &rst ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 776, 777, 778, &end # # 79 ALA HA 82 ILE QD1 4.53 132 &rst ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2=1058,1059,1060, &end # # 13 ALA HA 17 LYS HN 5.56 29 &rst ixpk= 0, nxpk= 0, iat= 162, 218, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 35 ALA HA 39 LYS HN 5.56 29 &rst ixpk= 0, nxpk= 0, iat= 444, 500, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 57 ALA HA 61 LYS HN 5.56 29 &rst ixpk= 0, nxpk= 0, iat= 726, 782, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 79 ALA HA 83 LYS HN 5.56 29 &rst ixpk= 0, nxpk= 0, iat=1008,1064, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 13 ALA QB 16 ILE HB 6.00 638 &rst ixpk= 0, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 164, 165, 166, &end # # 35 ALA QB 38 ILE HB 6.00 638 &rst ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 446, 447, 448, &end # # 57 ALA QB 60 ILE HB 6.00 638 &rst ixpk= 0, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 728, 729, 730, &end # # 79 ALA QB 82 ILE HB 6.00 638 &rst ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1010,1011,1012, &end # # 13 ALA QB 16 ILE QG2 7.50 613 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 164, 165, 166, igr2= 205, 206, 207, &end # # 35 ALA QB 38 ILE QG2 7.50 613 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 446, 447, 448, igr2= 487, 488, 489, &end # # 57 ALA QB 60 ILE QG2 7.50 613 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 728, 729, 730, igr2= 769, 770, 771, &end # # 79 ALA QB 82 ILE QG2 7.50 613 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1=1010,1011,1012, igr2=1051,1052,1053, &end # # 13 ALA QB 82 ILE QG2 7.00 613 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 164, 165, 166, igr2=1051,1052,1053, &end # # 35 ALA QB 60 ILE QG2 7.00 613 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 446, 447, 448, igr2= 769, 770, 771, &end # # 57 ALA QB 38 ILE QG2 7.00 613 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 728, 729, 730, igr2= 487, 488, 489, &end # # 79 ALA QB 16 ILE QG2 7.00 613 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1=1010,1011,1012, igr2= 205, 206, 207, &end # # 13 ALA QB 16 ILE QD1 7.00 624 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 164, 165, 166, igr2= 212, 213, 214, &end # # 35 ALA QB 38 ILE QD1 7.00 624 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 446, 447, 448, igr2= 494, 495, 496, &end # # 57 ALA QB 60 ILE QD1 7.00 624 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 728, 729, 730, igr2= 776, 777, 778, &end # # 79 ALA QB 82 ILE QD1 7.00 624 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1=1010,1011,1012, igr2=1058,1059,1060, &end # # 14 ALA HN 14 ALA HA 3.50 225 &rst ixpk= 0, nxpk= 0, iat= 170, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 36 ALA HN 36 ALA HA 3.50 225 &rst ixpk= 0, nxpk= 0, iat= 452, 454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 58 ALA HN 58 ALA HA 3.50 225 &rst ixpk= 0, nxpk= 0, iat= 734, 736, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 80 ALA HN 80 ALA HA 3.50 225 &rst ixpk= 0, nxpk= 0, iat=1016,1018, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 14 ALA HN 14 ALA QB 3.50 229 &rst ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 174, 175, 176, &end # # 36 ALA HN 36 ALA QB 3.50 229 &rst ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 456, 457, 458, &end # # 58 ALA HN 58 ALA QB 3.50 229 &rst ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 738, 739, 740, &end # # 80 ALA HN 80 ALA QB 3.50 229 &rst ixpk= 0, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2=1020,1021,1022, &end # # 14 ALA HN 15 ILE HN 3.50 223 &rst ixpk= 0, nxpk= 0, iat= 170, 180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 36 ALA HN 37 ILE HN 3.50 223 &rst ixpk= 0, nxpk= 0, iat= 452, 462, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 58 ALA HN 59 ILE HN 3.50 223 &rst ixpk= 0, nxpk= 0, iat= 734, 744, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 80 ALA HN 81 ILE HN 3.50 223 &rst ixpk= 0, nxpk= 0, iat=1016,1026, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 14 ALA HN 15 ILE HA 6.00 227 &rst ixpk= 0, nxpk= 0, iat= 170, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 36 ALA HN 37 ILE HA 6.00 227 &rst ixpk= 0, nxpk= 0, iat= 452, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 58 ALA HN 59 ILE HA 6.00 227 &rst ixpk= 0, nxpk= 0, iat= 734, 746, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 80 ALA HN 81 ILE HA 6.00 227 &rst ixpk= 0, nxpk= 0, iat=1016,1028, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 14 ALA HN 15 ILE HB 5.50 456 &rst ixpk= 0, nxpk= 0, iat= 170, 184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 36 ALA HN 37 ILE HB 5.50 456 &rst ixpk= 0, nxpk= 0, iat= 452, 466, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 58 ALA HN 59 ILE HB 5.50 456 &rst ixpk= 0, nxpk= 0, iat= 734, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 80 ALA HN 81 ILE HB 5.50 456 &rst ixpk= 0, nxpk= 0, iat=1016,1030, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 14 ALA HN 16 ILE HB 6.00 456 &rst ixpk= 0, nxpk= 0, iat= 170, 203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 36 ALA HN 38 ILE HB 6.00 456 &rst ixpk= 0, nxpk= 0, iat= 452, 485, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 58 ALA HN 60 ILE HB 6.00 456 &rst ixpk= 0, nxpk= 0, iat= 734, 767, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 80 ALA HN 82 ILE HB 6.00 456 &rst ixpk= 0, nxpk= 0, iat=1016,1049, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 14 ALA HN 16 ILE QD1 6.53 480 &rst ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 212, 213, 214, &end # # 36 ALA HN 38 ILE QD1 6.53 480 &rst ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 494, 495, 496, &end # # 58 ALA HN 60 ILE QD1 6.53 480 &rst ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 776, 777, 778, &end # # 80 ALA HN 82 ILE QD1 6.53 480 &rst ixpk= 0, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2=1058,1059,1060, &end # # 14 ALA HN 17 LYS QB 8.00 482 &rst ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 222, 223, &end # # 36 ALA HN 39 LYS QB 8.00 482 &rst ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 504, 505, &end # # 58 ALA HN 61 LYS QB 8.00 482 &rst ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 786, 787, &end # # 80 ALA HN 83 LYS QB 8.00 482 &rst ixpk= 0, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2=1068,1069, &end # # 14 ALA HN 17 LYS HN 6.50 482 &rst ixpk= 0, nxpk= 0, iat= 170, 218, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 36 ALA HN 39 LYS HN 6.50 482 &rst ixpk= 0, nxpk= 0, iat= 452, 500, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 58 ALA HN 61 LYS HN 6.50 482 &rst ixpk= 0, nxpk= 0, iat= 734, 782, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 80 ALA HN 83 LYS HN 6.50 482 &rst ixpk= 0, nxpk= 0, iat=1016,1064, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 14 ALA HA 14 ALA QB 3.53 230 &rst ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 174, 175, 176, &end # # 36 ALA HA 36 ALA QB 3.53 230 &rst ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 456, 457, 458, &end # # 58 ALA HA 58 ALA QB 3.53 230 &rst ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 738, 739, 740, &end # # 80 ALA HA 80 ALA QB 3.53 230 &rst ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2=1020,1021,1022, &end # # 14 ALA HA 15 ILE HN 4.45 8 &rst ixpk= 0, nxpk= 0, iat= 172, 180, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 36 ALA HA 37 ILE HN 4.45 8 &rst ixpk= 0, nxpk= 0, iat= 454, 462, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 58 ALA HA 59 ILE HN 4.45 8 &rst ixpk= 0, nxpk= 0, iat= 736, 744, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 80 ALA HA 81 ILE HN 4.45 8 &rst ixpk= 0, nxpk= 0, iat=1018,1026, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 14 ALA HA 16 ILE HB 6.00 456 &rst ixpk= 0, nxpk= 0, iat= 172, 203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 36 ALA HA 38 ILE HB 6.00 456 &rst ixpk= 0, nxpk= 0, iat= 454, 485, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 58 ALA HA 60 ILE HB 6.00 456 &rst ixpk= 0, nxpk= 0, iat= 736, 767, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 80 ALA HA 82 ILE HB 6.00 456 &rst ixpk= 0, nxpk= 0, iat=1018,1049, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 14 ALA HA 17 LYS HN 6.00 143 &rst ixpk= 0, nxpk= 0, iat= 172, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 36 ALA HA 39 LYS HN 6.00 143 &rst ixpk= 0, nxpk= 0, iat= 454, 500, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 58 ALA HA 61 LYS HN 6.00 143 &rst ixpk= 0, nxpk= 0, iat= 736, 782, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 80 ALA HA 83 LYS HN 6.00 143 &rst ixpk= 0, nxpk= 0, iat=1018,1064, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 14 ALA HA 17 LYS QB 6.00 571 &rst ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 222, 223, &end # # 36 ALA HA 39 LYS QB 6.00 571 &rst ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 504, 505, &end # # 58 ALA HA 61 LYS QB 6.00 571 &rst ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 786, 787, &end # # 80 ALA HA 83 LYS QB 6.00 571 &rst ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1068,1069, &end # # 14 ALA QB 15 ILE HN 4.26 218 &rst ixpk= 0, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr1= 174, 175, 176, &end # # 36 ALA QB 37 ILE HN 4.26 218 &rst ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr1= 456, 457, 458, &end # # 58 ALA QB 59 ILE HN 4.26 218 &rst ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr1= 738, 739, 740, &end # # 80 ALA QB 81 ILE HN 4.26 218 &rst ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr1=1020,1021,1022, &end # # 15 ILE HN 15 ILE HA 3.54 212 &rst ixpk= 0, nxpk= 0, iat= 180, 182, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 37 ILE HN 37 ILE HA 3.54 212 &rst ixpk= 0, nxpk= 0, iat= 462, 464, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 59 ILE HN 59 ILE HA 3.54 212 &rst ixpk= 0, nxpk= 0, iat= 744, 746, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 81 ILE HN 81 ILE HA 3.54 212 &rst ixpk= 0, nxpk= 0, iat=1026,1028, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 15 ILE HN 15 ILE HB 3.50 217 &rst ixpk= 0, nxpk= 0, iat= 180, 184, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 37 ILE HN 37 ILE HB 3.50 217 &rst ixpk= 0, nxpk= 0, iat= 462, 466, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 ILE HN 59 ILE HB 3.50 217 &rst ixpk= 0, nxpk= 0, iat= 744, 748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 81 ILE HN 81 ILE HB 3.50 217 &rst ixpk= 0, nxpk= 0, iat=1026,1030, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 15 ILE HN 15 ILE QG2 5.73 180 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr2= 186, 187, 188, &end # # 37 ILE HN 37 ILE QG2 5.73 180 &rst ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr2= 468, 469, 470, &end # # 59 ILE HN 59 ILE QG2 5.73 180 &rst ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr2= 750, 751, 752, &end # # 81 ILE HN 81 ILE QG2 5.73 180 &rst ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr2=1032,1033,1034, &end # # 15 ILE HN 15 ILE QG1 4.50 181 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 190, 191, &end # # 37 ILE HN 37 ILE QG1 4.50 181 &rst ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 472, 473, &end # # 59 ILE HN 59 ILE QG1 4.50 181 &rst ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 754, 755, &end # # 81 ILE HN 81 ILE QG1 4.50 181 &rst ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2=1036,1037, &end # # 15 ILE HN 15 ILE QD1 5.61 179 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 193, 194, 195, &end # # 37 ILE HN 37 ILE QD1 5.61 179 &rst ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 475, 476, 477, &end # # 59 ILE HN 59 ILE QD1 5.61 179 &rst ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 757, 758, 759, &end # # 81 ILE HN 81 ILE QD1 5.61 179 &rst ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1039,1040,1041, &end # # 15 ILE HN 16 ILE HN 3.51 310 &rst ixpk= 0, nxpk= 0, iat= 180, 199, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 37 ILE HN 38 ILE HN 3.51 310 &rst ixpk= 0, nxpk= 0, iat= 462, 481, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 59 ILE HN 60 ILE HN 3.51 310 &rst ixpk= 0, nxpk= 0, iat= 744, 763, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 81 ILE HN 82 ILE HN 3.51 310 &rst ixpk= 0, nxpk= 0, iat=1026,1045, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 15 ILE HN 16 ILE HB 5.50 273 &rst ixpk= 0, nxpk= 0, iat= 180, 203, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 37 ILE HN 38 ILE HB 5.50 273 &rst ixpk= 0, nxpk= 0, iat= 462, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 59 ILE HN 60 ILE HB 5.50 273 &rst ixpk= 0, nxpk= 0, iat= 744, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 81 ILE HN 82 ILE HB 5.50 273 &rst ixpk= 0, nxpk= 0, iat=1026,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 15 ILE HN 16 ILE QG2 7.53 280 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 205, 206, 207, &end # # 37 ILE HN 38 ILE QG2 7.53 280 &rst ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 487, 488, 489, &end # # 59 ILE HN 60 ILE QG2 7.53 280 &rst ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 769, 770, 771, &end # # 81 ILE HN 82 ILE QG2 7.53 280 &rst ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2=1051,1052,1053, &end # # 15 ILE HN 16 ILE QG1 7.50 279 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 209, 210, &end # # 37 ILE HN 38 ILE QG1 7.50 279 &rst ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 491, 492, &end # # 59 ILE HN 60 ILE QG1 7.50 279 &rst ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 773, 774, &end # # 81 ILE HN 82 ILE QG1 7.50 279 &rst ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2=1055,1056, &end # # 15 ILE HN 16 ILE QD1 8.00 284 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 212, 213, 214, &end # # 37 ILE HN 38 ILE QD1 8.00 284 &rst ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 494, 495, 496, &end # # 59 ILE HN 60 ILE QD1 8.00 284 &rst ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2= 776, 777, 778, &end # # 81 ILE HN 82 ILE QD1 8.00 284 &rst ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr2=1058,1059,1060, &end # # 15 ILE HN 17 LYS HN 6.50 311 &rst ixpk= 0, nxpk= 0, iat= 180, 218, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 37 ILE HN 39 LYS HN 6.50 311 &rst ixpk= 0, nxpk= 0, iat= 462, 500, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 59 ILE HN 61 LYS HN 6.50 311 &rst ixpk= 0, nxpk= 0, iat= 744, 782, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 81 ILE HN 83 LYS HN 6.50 311 &rst ixpk= 0, nxpk= 0, iat=1026,1064, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 15 ILE HN 17 LYS QB 7.50 311 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 222, 223, &end # # 37 ILE HN 39 LYS QB 7.50 311 &rst ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 504, 505, &end # # 59 ILE HN 61 LYS QB 7.50 311 &rst ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 786, 787, &end # # 81 ILE HN 83 LYS QB 7.50 311 &rst ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2=1068,1069, &end # # 15 ILE HN 18 ALA HN 7.50 465 &rst ixpk= 0, nxpk= 0, iat= 180, 240, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 37 ILE HN 40 ALA HN 7.50 465 &rst ixpk= 0, nxpk= 0, iat= 462, 522, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 59 ILE HN 62 ALA HN 7.50 465 &rst ixpk= 0, nxpk= 0, iat= 744, 804, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 81 ILE HN 84 ALA HN 7.50 465 &rst ixpk= 0, nxpk= 0, iat=1026,1086, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 15 ILE HN 18 ALA QB 8.53 231 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 244, 245, 246, &end # # 37 ILE HN 40 ALA QB 8.53 231 &rst ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 526, 527, 528, &end # # 59 ILE HN 62 ALA QB 8.53 231 &rst ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 808, 809, 810, &end # # 81 ILE HN 84 ALA QB 8.53 231 &rst ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1090,1091,1092, &end # # 15 ILE HA 15 ILE HB 3.52 209 &rst ixpk= 0, nxpk= 0, iat= 182, 184, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 37 ILE HA 37 ILE HB 3.52 209 &rst ixpk= 0, nxpk= 0, iat= 464, 466, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 59 ILE HA 59 ILE HB 3.52 209 &rst ixpk= 0, nxpk= 0, iat= 746, 748, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 81 ILE HA 81 ILE HB 3.52 209 &rst ixpk= 0, nxpk= 0, iat=1028,1030, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 15 ILE HA 15 ILE QG2 4.53 134 &rst ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 186, 187, 188, &end # # 37 ILE HA 37 ILE QG2 4.53 134 &rst ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 468, 469, 470, &end # # 59 ILE HA 59 ILE QG2 4.53 134 &rst ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 750, 751, 752, &end # # 81 ILE HA 81 ILE QG2 4.53 134 &rst ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2=1032,1033,1034, &end # # 15 ILE HA 15 ILE QG1 4.80 215 &rst ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 190, 191, &end # # 37 ILE HA 37 ILE QG1 4.80 215 &rst ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 472, 473, &end # # 59 ILE HA 59 ILE QG1 4.80 215 &rst ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 754, 755, &end # # 81 ILE HA 81 ILE QG1 4.80 215 &rst ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=1036,1037, &end # # 15 ILE HA 15 ILE QD1 5.58 136 &rst ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2= 193, 194, 195, &end # # 37 ILE HA 37 ILE QD1 5.58 136 &rst ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2= 475, 476, 477, &end # # 59 ILE HA 59 ILE QD1 5.58 136 &rst ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2= 757, 758, 759, &end # # 81 ILE HA 81 ILE QD1 5.58 136 &rst ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2=1039,1040,1041, &end # # 15 ILE HA 18 ALA HN 4.61 35 &rst ixpk= 0, nxpk= 0, iat= 182, 240, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 37 ILE HA 40 ALA HN 4.61 35 &rst ixpk= 0, nxpk= 0, iat= 464, 522, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 59 ILE HA 62 ALA HN 4.61 35 &rst ixpk= 0, nxpk= 0, iat= 746, 804, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 81 ILE HA 84 ALA HN 4.61 35 &rst ixpk= 0, nxpk= 0, iat=1028,1086, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 15 ILE HA 18 ALA HA 6.53 570 &rst ixpk= 0, nxpk= 0, iat= 182, 242, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, &end # # 37 ILE HA 40 ALA HA 6.53 570 &rst ixpk= 0, nxpk= 0, iat= 464, 524, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, &end # # 59 ILE HA 62 ALA HA 6.53 570 &rst ixpk= 0, nxpk= 0, iat= 746, 806, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, &end # # 81 ILE HA 84 ALA HA 6.53 570 &rst ixpk= 0, nxpk= 0, iat=1028,1088, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, &end # # 15 ILE HA 18 ALA QB 6.03 570 &rst ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2= 244, 245, 246, &end # # 37 ILE HA 40 ALA QB 6.03 570 &rst ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2= 526, 527, 528, &end # # 59 ILE HA 62 ALA QB 6.03 570 &rst ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2= 808, 809, 810, &end # # 81 ILE HA 84 ALA QB 6.03 570 &rst ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2=1090,1091,1092, &end # # 15 ILE HB 15 ILE QG2 3.74 189 &rst ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2= 186, 187, 188, &end # # 37 ILE HB 37 ILE QG2 3.74 189 &rst ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2= 468, 469, 470, &end # # 59 ILE HB 59 ILE QG2 3.74 189 &rst ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2= 750, 751, 752, &end # # 81 ILE HB 81 ILE QG2 3.74 189 &rst ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2=1032,1033,1034, &end # # 15 ILE HB 15 ILE QG1 3.58 193 &rst ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 190, 191, &end # # 37 ILE HB 37 ILE QG1 3.58 193 &rst ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 472, 473, &end # # 59 ILE HB 59 ILE QG1 3.58 193 &rst ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 754, 755, &end # # 81 ILE HB 81 ILE QG1 3.58 193 &rst ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2=1036,1037, &end # # 15 ILE HB 15 ILE QD1 4.06 191 &rst ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 193, 194, 195, &end # # 37 ILE HB 37 ILE QD1 4.06 191 &rst ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 475, 476, 477, &end # # 59 ILE HB 59 ILE QD1 4.06 191 &rst ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 757, 758, 759, &end # # 81 ILE HB 81 ILE QD1 4.06 191 &rst ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2=1039,1040,1041, &end # # 15 ILE HB 16 ILE HN 3.54 265 &rst ixpk= 0, nxpk= 0, iat= 184, 199, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 37 ILE HB 38 ILE HN 3.54 265 &rst ixpk= 0, nxpk= 0, iat= 466, 481, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 59 ILE HB 60 ILE HN 3.54 265 &rst ixpk= 0, nxpk= 0, iat= 748, 763, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 81 ILE HB 82 ILE HN 3.54 265 &rst ixpk= 0, nxpk= 0, iat=1030,1045, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 15 ILE QG2 15 ILE QG1 4.53 196 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 186, 187, 188, igr2= 190, 191, &end # # 37 ILE QG2 37 ILE QG1 4.53 196 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 468, 469, 470, igr2= 472, 473, &end # # 59 ILE QG2 59 ILE QG1 4.53 196 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 750, 751, 752, igr2= 754, 755, &end # # 81 ILE QG2 81 ILE QG1 4.53 196 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1032,1033,1034, igr2=1036,1037, &end # # 15 ILE QG2 15 ILE QD1 5.45 197 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 186, 187, 188, igr2= 193, 194, 195, &end # # 37 ILE QG2 37 ILE QD1 5.45 197 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 468, 469, 470, igr2= 475, 476, 477, &end # # 59 ILE QG2 59 ILE QD1 5.45 197 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 750, 751, 752, igr2= 757, 758, 759, &end # # 81 ILE QG2 81 ILE QD1 5.45 197 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1=1032,1033,1034, igr2=1039,1040,1041, &end # # 15 ILE QG2 16 ILE HN 5.92 282 &rst ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1= 186, 187, 188, &end # # 37 ILE QG2 38 ILE HN 5.92 282 &rst ixpk= 0, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1= 468, 469, 470, &end # # 59 ILE QG2 60 ILE HN 5.92 282 &rst ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1= 750, 751, 752, &end # # 81 ILE QG2 82 ILE HN 5.92 282 &rst ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1=1032,1033,1034, &end # # 15 ILE QG2 16 ILE QG1 6.53 595 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 186, 187, 188, igr2= 209, 210, &end # # 37 ILE QG2 38 ILE QG1 6.53 595 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 468, 469, 470, igr2= 491, 492, &end # # 59 ILE QG2 60 ILE QG1 6.53 595 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 750, 751, 752, igr2= 773, 774, &end # # 81 ILE QG2 82 ILE QG1 6.53 595 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1=1032,1033,1034, igr2=1055,1056, &end # # 15 ILE QG2 18 ALA HN 6.53 478 &rst ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 186, 187, 188, &end # # 37 ILE QG2 40 ALA HN 6.53 478 &rst ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 468, 469, 470, &end # # 59 ILE QG2 62 ALA HN 6.53 478 &rst ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 750, 751, 752, &end # # 81 ILE QG2 84 ALA HN 6.53 478 &rst ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1=1032,1033,1034, &end # # 15 ILE QG2 18 ALA QB 6.56 596 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1= 186, 187, 188, igr2= 244, 245, 246, &end # # 37 ILE QG2 40 ALA QB 6.56 596 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1= 468, 469, 470, igr2= 526, 527, 528, &end # # 59 ILE QG2 62 ALA QB 6.56 596 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1= 750, 751, 752, igr2= 808, 809, 810, &end # # 81 ILE QG2 84 ALA QB 6.56 596 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1=1032,1033,1034, igr2=1090,1091,1092, &end # # 15 ILE QG2 19 GLY HN 8.06 596 &rst ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56, igr1= 186, 187, 188, &end # # 37 ILE QG2 41 GLY HN 8.06 596 &rst ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56, igr1= 468, 469, 470, &end # # 59 ILE QG2 63 GLY HN 8.06 596 &rst ixpk= 0, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56, igr1= 750, 751, 752, &end # # 81 ILE QG2 85 GLY HN 8.06 596 &rst ixpk= 0, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56, igr1=1032,1033,1034, &end # # 15 ILE QG2 21 HIS HD2 6.53 541 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 186, 187, 188, &end # # 37 ILE QG2 43 HIS HD2 6.53 541 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 468, 469, 470, &end # # 59 ILE QG2 65 HIS HD2 6.53 541 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 750, 751, 752, &end # # 81 ILE QG2 87 HIS HD2 6.53 541 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1=1032,1033,1034, &end # # 15 ILE HG12 15 ILE HG13 3.50 207 &rst ixpk= 0, nxpk= 0, iat= 190, 191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 37 ILE HG12 37 ILE HG13 3.50 207 &rst ixpk= 0, nxpk= 0, iat= 472, 473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 ILE HG12 59 ILE HG13 3.50 207 &rst ixpk= 0, nxpk= 0, iat= 754, 755, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 81 ILE HG12 81 ILE HG13 3.50 207 &rst ixpk= 0, nxpk= 0, iat=1036,1037, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 15 ILE QG1 15 ILE QD1 3.74 194 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr1= 190, 191, igr2= 193, 194, 195, &end # # 37 ILE QG1 37 ILE QD1 3.74 194 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr1= 472, 473, igr2= 475, 476, 477, &end # # 59 ILE QG1 59 ILE QD1 3.74 194 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr1= 754, 755, igr2= 757, 758, 759, &end # # 81 ILE QG1 81 ILE QD1 3.74 194 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr1=1036,1037, igr2=1039,1040,1041, &end # # 15 ILE QG1 16 ILE HN 6.50 269 &rst ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 190, 191, &end # # 37 ILE QG1 38 ILE HN 6.50 269 &rst ixpk= 0, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 472, 473, &end # # 59 ILE QG1 60 ILE HN 6.50 269 &rst ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 754, 755, &end # # 81 ILE QG1 82 ILE HN 6.50 269 &rst ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1=1036,1037, &end # # 15 ILE QG1 16 ILE QG1 8.50 628 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00, igr1= 190, 191, igr2= 209, 210, &end # # 37 ILE QG1 38 ILE QG1 8.50 628 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00, igr1= 472, 473, igr2= 491, 492, &end # # 59 ILE QG1 60 ILE QG1 8.50 628 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00, igr1= 754, 755, igr2= 773, 774, &end # # 81 ILE QG1 82 ILE QG1 8.50 628 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00, igr1=1036,1037, igr2=1055,1056, &end # # 15 ILE QD1 16 ILE HN 7.13 260 &rst ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, igr1= 193, 194, 195, &end # # 37 ILE QD1 38 ILE HN 7.13 260 &rst ixpk= 0, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, igr1= 475, 476, 477, &end # # 59 ILE QD1 60 ILE HN 7.13 260 &rst ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, igr1= 757, 758, 759, &end # # 81 ILE QD1 82 ILE HN 7.13 260 &rst ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, igr1=1039,1040,1041, &end # # 15 ILE QD1 21 HIS HD2 7.53 543 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 193, 194, 195, &end # # 37 ILE QD1 43 HIS HD2 7.53 543 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 475, 476, 477, &end # # 59 ILE QD1 65 HIS HD2 7.53 543 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 757, 758, 759, &end # # 81 ILE QD1 87 HIS HD2 7.53 543 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1=1039,1040,1041, &end # # 16 ILE HN 16 ILE HA 3.27 36 &rst ixpk= 0, nxpk= 0, iat= 199, 201, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end # # 38 ILE HN 38 ILE HA 3.27 36 &rst ixpk= 0, nxpk= 0, iat= 481, 483, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end # # 60 ILE HN 60 ILE HA 3.27 36 &rst ixpk= 0, nxpk= 0, iat= 763, 765, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end # # 82 ILE HN 82 ILE HA 3.27 36 &rst ixpk= 0, nxpk= 0, iat=1045,1047, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end # # 16 ILE HN 16 ILE HB 2.99 264 &rst ixpk= 0, nxpk= 0, iat= 199, 203, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 38 ILE HN 38 ILE HB 2.99 264 &rst ixpk= 0, nxpk= 0, iat= 481, 485, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 60 ILE HN 60 ILE HB 2.99 264 &rst ixpk= 0, nxpk= 0, iat= 763, 767, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 82 ILE HN 82 ILE HB 2.99 264 &rst ixpk= 0, nxpk= 0, iat=1045,1049, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 16 ILE HN 16 ILE QG2 5.57 259 &rst ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 205, 206, 207, &end # # 38 ILE HN 38 ILE QG2 5.57 259 &rst ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 487, 488, 489, &end # # 60 ILE HN 60 ILE QG2 5.57 259 &rst ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 769, 770, 771, &end # # 82 ILE HN 82 ILE QG2 5.57 259 &rst ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2=1051,1052,1053, &end # # 16 ILE HN 16 ILE QG1 4.47 278 &rst ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2= 209, 210, &end # # 38 ILE HN 38 ILE QG1 4.47 278 &rst ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2= 491, 492, &end # # 60 ILE HN 60 ILE QG1 4.47 278 &rst ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2= 773, 774, &end # # 82 ILE HN 82 ILE QG1 4.47 278 &rst ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2=1055,1056, &end # # 16 ILE HN 16 ILE QD1 5.85 283 &rst ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2= 212, 213, 214, &end # # 38 ILE HN 38 ILE QD1 5.85 283 &rst ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2= 494, 495, 496, &end # # 60 ILE HN 60 ILE QD1 5.85 283 &rst ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2= 776, 777, 778, &end # # 82 ILE HN 82 ILE QD1 5.85 283 &rst ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2=1058,1059,1060, &end # # 16 ILE HN 17 LYS HN 4.00 308 &rst ixpk= 0, nxpk= 0, iat= 199, 218, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 38 ILE HN 39 LYS HN 4.00 308 &rst ixpk= 0, nxpk= 0, iat= 481, 500, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 60 ILE HN 61 LYS HN 4.00 308 &rst ixpk= 0, nxpk= 0, iat= 763, 782, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 82 ILE HN 83 LYS HN 4.00 308 &rst ixpk= 0, nxpk= 0, iat=1045,1064, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 16 ILE HN 17 LYS QB 6.50 308 &rst ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 222, 223, &end # # 38 ILE HN 39 LYS QB 6.50 308 &rst ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 504, 505, &end # # 60 ILE HN 61 LYS QB 6.50 308 &rst ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 786, 787, &end # # 82 ILE HN 83 LYS QB 6.50 308 &rst ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2=1068,1069, &end # # 16 ILE HN 18 ALA HN 5.50 469 &rst ixpk= 0, nxpk= 0, iat= 199, 240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 38 ILE HN 40 ALA HN 5.50 469 &rst ixpk= 0, nxpk= 0, iat= 481, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 60 ILE HN 62 ALA HN 5.50 469 &rst ixpk= 0, nxpk= 0, iat= 763, 804, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 82 ILE HN 84 ALA HN 5.50 469 &rst ixpk= 0, nxpk= 0, iat=1045,1086, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 16 ILE HN 19 GLY HN 7.00 530 &rst ixpk= 0, nxpk= 0, iat= 199, 250, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 38 ILE HN 41 GLY HN 7.00 530 &rst ixpk= 0, nxpk= 0, iat= 481, 532, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 60 ILE HN 63 GLY HN 7.00 530 &rst ixpk= 0, nxpk= 0, iat= 763, 814, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 82 ILE HN 85 GLY HN 7.00 530 &rst ixpk= 0, nxpk= 0, iat=1045,1096, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 16 ILE HN 21 HIS HD2 7.00 529 &rst ixpk= 0, nxpk= 0, iat= 199, 277, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 38 ILE HN 43 HIS HD2 7.00 529 &rst ixpk= 0, nxpk= 0, iat= 481, 559, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 60 ILE HN 65 HIS HD2 7.00 529 &rst ixpk= 0, nxpk= 0, iat= 763, 841, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 82 ILE HN 87 HIS HD2 7.00 529 &rst ixpk= 0, nxpk= 0, iat=1045,1123, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 16 ILE HA 16 ILE HB 3.83 271 &rst ixpk= 0, nxpk= 0, iat= 201, 203, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 38 ILE HA 38 ILE HB 3.83 271 &rst ixpk= 0, nxpk= 0, iat= 483, 485, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 60 ILE HA 60 ILE HB 3.83 271 &rst ixpk= 0, nxpk= 0, iat= 765, 767, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 82 ILE HA 82 ILE HB 3.83 271 &rst ixpk= 0, nxpk= 0, iat=1047,1049, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 16 ILE HA 16 ILE QG2 4.58 135 &rst ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2= 205, 206, 207, &end # # 38 ILE HA 38 ILE QG2 4.58 135 &rst ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2= 487, 488, 489, &end # # 60 ILE HA 60 ILE QG2 4.58 135 &rst ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2= 769, 770, 771, &end # # 82 ILE HA 82 ILE QG2 4.58 135 &rst ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=1051,1052,1053, &end # # 16 ILE HA 16 ILE QG1 3.92 286 &rst ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2= 209, 210, &end # # 38 ILE HA 38 ILE QG1 3.92 286 &rst ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2= 491, 492, &end # # 60 ILE HA 60 ILE QG1 3.92 286 &rst ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2= 773, 774, &end # # 82 ILE HA 82 ILE QG1 3.92 286 &rst ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2=1055,1056, &end # # 16 ILE HA 16 ILE QD1 5.23 186 &rst ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2= 212, 213, 214, &end # # 38 ILE HA 38 ILE QD1 5.23 186 &rst ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2= 494, 495, 496, &end # # 60 ILE HA 60 ILE QD1 5.23 186 &rst ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2= 776, 777, 778, &end # # 82 ILE HA 82 ILE QD1 5.23 186 &rst ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2=1058,1059,1060, &end # # 16 ILE HA 17 LYS HN 4.67 34 &rst ixpk= 0, nxpk= 0, iat= 201, 218, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 38 ILE HA 39 LYS HN 4.67 34 &rst ixpk= 0, nxpk= 0, iat= 483, 500, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 60 ILE HA 61 LYS HN 4.67 34 &rst ixpk= 0, nxpk= 0, iat= 765, 782, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 82 ILE HA 83 LYS HN 4.67 34 &rst ixpk= 0, nxpk= 0, iat=1047,1064, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 16 ILE HA 19 GLY HN 5.50 37 &rst ixpk= 0, nxpk= 0, iat= 201, 250, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 38 ILE HA 41 GLY HN 5.50 37 &rst ixpk= 0, nxpk= 0, iat= 483, 532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 60 ILE HA 63 GLY HN 5.50 37 &rst ixpk= 0, nxpk= 0, iat= 765, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 82 ILE HA 85 GLY HN 5.50 37 &rst ixpk= 0, nxpk= 0, iat=1047,1096, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 16 ILE HA 21 HIS QB 5.50 609 &rst ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 268, 269, &end # # 38 ILE HA 43 HIS QB 5.50 609 &rst ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 550, 551, &end # # 60 ILE HA 65 HIS QB 5.50 609 &rst ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 832, 833, &end # # 82 ILE HA 87 HIS QB 5.50 609 &rst ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2=1114,1115, &end # # 16 ILE HA 21 HIS HN 6.00 532 &rst ixpk= 0, nxpk= 0, iat= 201, 264, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 38 ILE HA 43 HIS HN 6.00 532 &rst ixpk= 0, nxpk= 0, iat= 483, 546, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 60 ILE HA 65 HIS HN 6.00 532 &rst ixpk= 0, nxpk= 0, iat= 765, 828, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 82 ILE HA 87 HIS HN 6.00 532 &rst ixpk= 0, nxpk= 0, iat=1047,1110, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 16 ILE HA 21 HIS HD2 4.50 532 &rst ixpk= 0, nxpk= 0, iat= 201, 277, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 38 ILE HA 43 HIS HD2 4.50 532 &rst ixpk= 0, nxpk= 0, iat= 483, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 60 ILE HA 65 HIS HD2 4.50 532 &rst ixpk= 0, nxpk= 0, iat= 765, 841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 82 ILE HA 87 HIS HD2 4.50 532 &rst ixpk= 0, nxpk= 0, iat=1047,1123, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 16 ILE HB 16 ILE QG2 3.51 126 &rst ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2= 205, 206, 207, &end # # 38 ILE HB 38 ILE QG2 3.51 126 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2= 487, 488, 489, &end # # 60 ILE HB 60 ILE QG2 3.51 126 &rst ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2= 769, 770, 771, &end # # 82 ILE HB 82 ILE QG2 3.51 126 &rst ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2=1051,1052,1053, &end # # 16 ILE HB 16 ILE QG1 3.50 289 &rst ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 209, 210, &end # # 38 ILE HB 38 ILE QG1 3.50 289 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 491, 492, &end # # 60 ILE HB 60 ILE QG1 3.50 289 &rst ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 773, 774, &end # # 82 ILE HB 82 ILE QG1 3.50 289 &rst ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2=1055,1056, &end # # 16 ILE HB 16 ILE QD1 4.48 299 &rst ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2= 212, 213, 214, &end # # 38 ILE HB 38 ILE QD1 4.48 299 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2= 494, 495, 496, &end # # 60 ILE HB 60 ILE QD1 4.48 299 &rst ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2= 776, 777, 778, &end # # 82 ILE HB 82 ILE QD1 4.48 299 &rst ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2=1058,1059,1060, &end # # 16 ILE HB 17 LYS HN 3.51 314 &rst ixpk= 0, nxpk= 0, iat= 203, 218, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 38 ILE HB 39 LYS HN 3.51 314 &rst ixpk= 0, nxpk= 0, iat= 485, 500, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 60 ILE HB 61 LYS HN 3.51 314 &rst ixpk= 0, nxpk= 0, iat= 767, 782, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 82 ILE HB 83 LYS HN 3.51 314 &rst ixpk= 0, nxpk= 0, iat=1049,1064, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 16 ILE HB 17 LYS HA 6.51 314 &rst ixpk= 0, nxpk= 0, iat= 203, 220, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, &end # # 38 ILE HB 39 LYS HA 6.51 314 &rst ixpk= 0, nxpk= 0, iat= 485, 502, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, &end # # 60 ILE HB 61 LYS HA 6.51 314 &rst ixpk= 0, nxpk= 0, iat= 767, 784, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, &end # # 82 ILE HB 83 LYS HA 6.51 314 &rst ixpk= 0, nxpk= 0, iat=1049,1066, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, &end # # 16 ILE HB 18 ALA HN 6.50 323 &rst ixpk= 0, nxpk= 0, iat= 203, 240, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 38 ILE HB 40 ALA HN 6.50 323 &rst ixpk= 0, nxpk= 0, iat= 485, 522, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 60 ILE HB 62 ALA HN 6.50 323 &rst ixpk= 0, nxpk= 0, iat= 767, 804, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 82 ILE HB 84 ALA HN 6.50 323 &rst ixpk= 0, nxpk= 0, iat=1049,1086, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 16 ILE HB 21 HIS HD2 7.50 538 &rst ixpk= 0, nxpk= 0, iat= 203, 277, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 38 ILE HB 43 HIS HD2 7.50 538 &rst ixpk= 0, nxpk= 0, iat= 485, 559, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 60 ILE HB 65 HIS HD2 7.50 538 &rst ixpk= 0, nxpk= 0, iat= 767, 841, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 82 ILE HB 87 HIS HD2 7.50 538 &rst ixpk= 0, nxpk= 0, iat=1049,1123, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 16 ILE QG2 16 ILE QG1 4.53 293 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 205, 206, 207, igr2= 209, 210, &end # # 38 ILE QG2 38 ILE QG1 4.53 293 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 487, 488, 489, igr2= 491, 492, &end # # 60 ILE QG2 60 ILE QG1 4.53 293 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 769, 770, 771, igr2= 773, 774, &end # # 82 ILE QG2 82 ILE QG1 4.53 293 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1051,1052,1053, igr2=1055,1056, &end # # 16 ILE QG2 16 ILE QD1 4.48 119 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1= 205, 206, 207, igr2= 212, 213, 214, &end # # 38 ILE QG2 38 ILE QD1 4.48 119 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1= 487, 488, 489, igr2= 494, 495, 496, &end # # 60 ILE QG2 60 ILE QD1 4.48 119 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1= 769, 770, 771, igr2= 776, 777, 778, &end # # 82 ILE QG2 82 ILE QD1 4.48 119 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1=1051,1052,1053, igr2=1058,1059,1060, &end # # 16 ILE QG2 17 LYS HN 4.49 305 &rst ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 205, 206, 207, &end # # 38 ILE QG2 39 LYS HN 4.49 305 &rst ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 487, 488, 489, &end # # 60 ILE QG2 61 LYS HN 4.49 305 &rst ixpk= 0, nxpk= 0, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 769, 770, 771, &end # # 82 ILE QG2 83 LYS HN 4.49 305 &rst ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1051,1052,1053, &end # # 16 ILE QG2 17 LYS HA 5.05 270 &rst ixpk= 0, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 205, 206, 207, &end # # 38 ILE QG2 39 LYS HA 5.05 270 &rst ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 487, 488, 489, &end # # 60 ILE QG2 61 LYS HA 5.05 270 &rst ixpk= 0, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 769, 770, 771, &end # # 82 ILE QG2 83 LYS HA 5.05 270 &rst ixpk= 0, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1051,1052,1053, &end # # 16 ILE QG2 17 LYS QB 7.05 270 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr1= 205, 206, 207, igr2= 222, 223, &end # # 38 ILE QG2 39 LYS QB 7.05 270 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr1= 487, 488, 489, igr2= 504, 505, &end # # 60 ILE QG2 61 LYS QB 7.05 270 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr1= 769, 770, 771, igr2= 786, 787, &end # # 82 ILE QG2 83 LYS QB 7.05 270 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr1=1051,1052,1053, igr2=1068,1069, &end # # 16 ILE QG2 21 HIS HN 7.00 479 &rst ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 205, 206, 207, &end # # 38 ILE QG2 43 HIS HN 7.00 479 &rst ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 487, 488, 489, &end # # 60 ILE QG2 65 HIS HN 7.00 479 &rst ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 769, 770, 771, &end # # 82 ILE QG2 87 HIS HN 7.00 479 &rst ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1=1051,1052,1053, &end # # 16 ILE QG2 87 HIS HN 8.00 479 &rst ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 205, 206, 207, &end # # 38 ILE QG2 65 HIS HN 8.00 479 &rst ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 487, 488, 489, &end # # 60 ILE QG2 43 HIS HN 8.00 479 &rst ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 769, 770, 771, &end # # 82 ILE QG2 21 HIS HN 8.00 479 &rst ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1=1051,1052,1053, &end # # 16 ILE QG2 21 HIS QB 5.53 589 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 205, 206, 207, igr2= 268, 269, &end # # 38 ILE QG2 43 HIS QB 5.53 589 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 487, 488, 489, igr2= 550, 551, &end # # 60 ILE QG2 65 HIS QB 5.53 589 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 769, 770, 771, igr2= 832, 833, &end # # 82 ILE QG2 87 HIS QB 5.53 589 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1=1051,1052,1053, igr2=1114,1115, &end # # 16 ILE QG2 21 HIS HD2 6.53 515 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 205, 206, 207, &end # # 38 ILE QG2 43 HIS HD2 6.53 515 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 487, 488, 489, &end # # 60 ILE QG2 65 HIS HD2 6.53 515 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 769, 770, 771, &end # # 82 ILE QG2 87 HIS HD2 6.53 515 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1=1051,1052,1053, &end # # 16 ILE HG12 16 ILE HG13 3.50 298 &rst ixpk= 0, nxpk= 0, iat= 209, 210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 38 ILE HG12 38 ILE HG13 3.50 298 &rst ixpk= 0, nxpk= 0, iat= 491, 492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 60 ILE HG12 60 ILE HG13 3.50 298 &rst ixpk= 0, nxpk= 0, iat= 773, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 82 ILE HG12 82 ILE HG13 3.50 298 &rst ixpk= 0, nxpk= 0, iat=1055,1056, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 16 ILE QG1 16 ILE QD1 3.49 291 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr1= 209, 210, igr2= 212, 213, 214, &end # # 38 ILE QG1 38 ILE QD1 3.49 291 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr1= 491, 492, igr2= 494, 495, 496, &end # # 60 ILE QG1 60 ILE QD1 3.49 291 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr1= 773, 774, igr2= 776, 777, 778, &end # # 82 ILE QG1 82 ILE QD1 3.49 291 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr1=1055,1056, igr2=1058,1059,1060, &end # # 16 ILE QG1 17 LYS HN 5.50 316 &rst ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 209, 210, &end # # 38 ILE QG1 39 LYS HN 5.50 316 &rst ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 491, 492, &end # # 60 ILE QG1 61 LYS HN 5.50 316 &rst ixpk= 0, nxpk= 0, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 773, 774, &end # # 82 ILE QG1 83 LYS HN 5.50 316 &rst ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1=1055,1056, &end # # 16 ILE QG1 21 HIS HD2 7.00 517 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 209, 210, &end # # 38 ILE QG1 43 HIS HD2 7.00 517 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 491, 492, &end # # 60 ILE QG1 65 HIS HD2 7.00 517 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 773, 774, &end # # 82 ILE QG1 87 HIS HD2 7.00 517 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1=1055,1056, &end # # 16 ILE QG1 21 HIS QB 7.50 637 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 209, 210, igr2= 268, 269, &end # # 38 ILE QG1 43 HIS QB 7.50 637 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 491, 492, igr2= 550, 551, &end # # 60 ILE QG1 65 HIS QB 7.50 637 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 773, 774, igr2= 832, 833, &end # # 82 ILE QG1 87 HIS QB 7.50 637 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1=1055,1056, igr2=1114,1115, &end # # 16 ILE QD1 17 LYS HN 6.47 304 &rst ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1= 212, 213, 214, &end # # 38 ILE QD1 39 LYS HN 6.47 304 &rst ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1= 494, 495, 496, &end # # 60 ILE QD1 61 LYS HN 6.47 304 &rst ixpk= 0, nxpk= 0, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1= 776, 777, 778, &end # # 82 ILE QD1 83 LYS HN 6.47 304 &rst ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1=1058,1059,1060, &end # # 16 ILE QD1 21 HIS QB 6.00 605 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 212, 213, 214, igr2= 268, 269, &end # # 38 ILE QD1 43 HIS QB 6.00 605 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 494, 495, 496, igr2= 550, 551, &end # # 60 ILE QD1 65 HIS QB 6.00 605 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 776, 777, 778, igr2= 832, 833, &end # # 82 ILE QD1 87 HIS QB 6.00 605 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1058,1059,1060, igr2=1114,1115, &end # # 16 ILE QD1 21 HIS HD2 5.53 509 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 212, 213, 214, &end # # 38 ILE QD1 43 HIS HD2 5.53 509 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 494, 495, 496, &end # # 60 ILE QD1 65 HIS HD2 5.53 509 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 776, 777, 778, &end # # 82 ILE QD1 87 HIS HD2 5.53 509 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1=1058,1059,1060, &end # # 17 LYS HN 17 LYS HA 3.50 17 &rst ixpk= 0, nxpk= 0, iat= 218, 220, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 39 LYS HN 39 LYS HA 3.50 17 &rst ixpk= 0, nxpk= 0, iat= 500, 502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 61 LYS HN 61 LYS HA 3.50 17 &rst ixpk= 0, nxpk= 0, iat= 782, 784, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 83 LYS HN 83 LYS HA 3.50 17 &rst ixpk= 0, nxpk= 0, iat=1064,1066, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 17 LYS HN 17 LYS QB 4.02 330 &rst ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2= 222, 223, &end # # 39 LYS HN 39 LYS QB 4.02 330 &rst ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2= 504, 505, &end # # 61 LYS HN 61 LYS QB 4.02 330 &rst ixpk= 0, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2= 786, 787, &end # # 83 LYS HN 83 LYS QB 4.02 330 &rst ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2=1068,1069, &end # # 17 LYS HN 17 LYS QD 5.50 333 &rst ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 228, 229, &end # # 39 LYS HN 39 LYS QD 5.50 333 &rst ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 510, 511, &end # # 61 LYS HN 61 LYS QD 5.50 333 &rst ixpk= 0, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 792, 793, &end # # 83 LYS HN 83 LYS QD 5.50 333 &rst ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2=1074,1075, &end # # 17 LYS HN 17 LYS QE 7.50 313 &rst ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 231, 232, &end # # 39 LYS HN 39 LYS QE 7.50 313 &rst ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 513, 514, &end # # 61 LYS HN 61 LYS QE 7.50 313 &rst ixpk= 0, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 795, 796, &end # # 83 LYS HN 83 LYS QE 7.50 313 &rst ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2=1077,1078, &end # # 17 LYS HN 18 ALA HN 4.48 245 &rst ixpk= 0, nxpk= 0, iat= 218, 240, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 39 LYS HN 40 ALA HN 4.48 245 &rst ixpk= 0, nxpk= 0, iat= 500, 522, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 61 LYS HN 62 ALA HN 4.48 245 &rst ixpk= 0, nxpk= 0, iat= 782, 804, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 83 LYS HN 84 ALA HN 4.48 245 &rst ixpk= 0, nxpk= 0, iat=1064,1086, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 17 LYS HN 19 GLY HN 6.50 466 &rst ixpk= 0, nxpk= 0, iat= 218, 250, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 39 LYS HN 41 GLY HN 6.50 466 &rst ixpk= 0, nxpk= 0, iat= 500, 532, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 61 LYS HN 63 GLY HN 6.50 466 &rst ixpk= 0, nxpk= 0, iat= 782, 814, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 83 LYS HN 85 GLY HN 6.50 466 &rst ixpk= 0, nxpk= 0, iat=1064,1096, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 17 LYS HA 17 LYS QB 3.50 327 &rst ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 222, 223, &end # # 39 LYS HA 39 LYS QB 3.50 327 &rst ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 504, 505, &end # # 61 LYS HA 61 LYS QB 3.50 327 &rst ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 786, 787, &end # # 83 LYS HA 83 LYS QB 3.50 327 &rst ixpk= 0, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2=1068,1069, &end # # 17 LYS HA 17 LYS QD 5.38 169 &rst ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2= 228, 229, &end # # 39 LYS HA 39 LYS QD 5.38 169 &rst ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2= 510, 511, &end # # 61 LYS HA 61 LYS QD 5.38 169 &rst ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2= 792, 793, &end # # 83 LYS HA 83 LYS QD 5.38 169 &rst ixpk= 0, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2=1074,1075, &end # # 17 LYS QB 18 ALA HN 4.50 329 &rst ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 222, 223, &end # # 39 LYS QB 40 ALA HN 4.50 329 &rst ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 504, 505, &end # # 61 LYS QB 62 ALA HN 4.50 329 &rst ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 786, 787, &end # # 83 LYS QB 84 ALA HN 4.50 329 &rst ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1=1068,1069, &end # # 17 LYS QD 17 LYS QE 3.49 320 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr1= 228, 229, igr2= 231, 232, &end # # 39 LYS QD 39 LYS QE 3.49 320 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr1= 510, 511, igr2= 513, 514, &end # # 61 LYS QD 61 LYS QE 3.49 320 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr1= 792, 793, igr2= 795, 796, &end # # 83 LYS QD 83 LYS QE 3.49 320 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr1=1074,1075, igr2=1077,1078, &end # # 17 LYS QD 18 ALA HN 6.47 163 &rst ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1= 228, 229, &end # # 39 LYS QD 40 ALA HN 6.47 163 &rst ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1= 510, 511, &end # # 61 LYS QD 62 ALA HN 6.47 163 &rst ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1= 792, 793, &end # # 83 LYS QD 84 ALA HN 6.47 163 &rst ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1=1074,1075, &end # # 17 LYS QD 18 ALA QB 8.00 491 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 228, 229, igr2= 244, 245, 246, &end # # 39 LYS QD 40 ALA QB 8.00 491 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 510, 511, igr2= 526, 527, 528, &end # # 61 LYS QD 62 ALA QB 8.00 491 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 792, 793, igr2= 808, 809, 810, &end # # 83 LYS QD 84 ALA QB 8.00 491 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1=1074,1075, igr2=1090,1091,1092, &end # # 17 LYS QE 18 ALA HN 8.00 335 &rst ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 231, 232, &end # # 39 LYS QE 40 ALA HN 8.00 335 &rst ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 513, 514, &end # # 61 LYS QE 62 ALA HN 8.00 335 &rst ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 795, 796, &end # # 83 LYS QE 84 ALA HN 8.00 335 &rst ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1=1077,1078, &end # # 18 ALA HN 18 ALA HA 3.53 146 &rst ixpk= 0, nxpk= 0, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 40 ALA HN 40 ALA HA 3.53 146 &rst ixpk= 0, nxpk= 0, iat= 522, 524, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 62 ALA HN 62 ALA HA 3.53 146 &rst ixpk= 0, nxpk= 0, iat= 804, 806, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 84 ALA HN 84 ALA HA 3.53 146 &rst ixpk= 0, nxpk= 0, iat=1086,1088, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 18 ALA HN 18 ALA QB 3.43 141 &rst ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr2= 244, 245, 246, &end # # 40 ALA HN 40 ALA QB 3.43 141 &rst ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr2= 526, 527, 528, &end # # 62 ALA HN 62 ALA QB 3.43 141 &rst ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr2= 808, 809, 810, &end # # 84 ALA HN 84 ALA QB 3.43 141 &rst ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr2=1090,1091,1092, &end # # 18 ALA HN 19 GLY HN 3.50 241 &rst ixpk= 0, nxpk= 0, iat= 240, 250, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 40 ALA HN 41 GLY HN 3.50 241 &rst ixpk= 0, nxpk= 0, iat= 522, 532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 62 ALA HN 63 GLY HN 3.50 241 &rst ixpk= 0, nxpk= 0, iat= 804, 814, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 84 ALA HN 85 GLY HN 3.50 241 &rst ixpk= 0, nxpk= 0, iat=1086,1096, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 18 ALA HN 19 GLY QA 6.00 499 &rst ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 252, 253, &end # # 40 ALA HN 41 GLY QA 6.00 499 &rst ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 534, 535, &end # # 62 ALA HN 63 GLY QA 6.00 499 &rst ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 816, 817, &end # # 84 ALA HN 85 GLY QA 6.00 499 &rst ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1098,1099, &end # # 18 ALA HN 20 GLY HN 7.00 467 &rst ixpk= 0, nxpk= 0, iat= 240, 257, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 40 ALA HN 42 GLY HN 7.00 467 &rst ixpk= 0, nxpk= 0, iat= 522, 539, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 62 ALA HN 64 GLY HN 7.00 467 &rst ixpk= 0, nxpk= 0, iat= 804, 821, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 84 ALA HN 86 GLY HN 7.00 467 &rst ixpk= 0, nxpk= 0, iat=1086,1103, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 18 ALA HA 18 ALA QB 3.50 171 &rst ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 244, 245, 246, &end # # 40 ALA HA 40 ALA QB 3.50 171 &rst ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 526, 527, 528, &end # # 62 ALA HA 62 ALA QB 3.50 171 &rst ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 808, 809, 810, &end # # 84 ALA HA 84 ALA QB 3.50 171 &rst ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2=1090,1091,1092, &end # # 18 ALA HA 20 GLY HN 7.00 16 &rst ixpk= 0, nxpk= 0, iat= 242, 257, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 40 ALA HA 42 GLY HN 7.00 16 &rst ixpk= 0, nxpk= 0, iat= 524, 539, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 62 ALA HA 64 GLY HN 7.00 16 &rst ixpk= 0, nxpk= 0, iat= 806, 821, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 84 ALA HA 86 GLY HN 7.00 16 &rst ixpk= 0, nxpk= 0, iat=1088,1103, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 18 ALA HA 21 HIS HD2 5.50 520 &rst ixpk= 0, nxpk= 0, iat= 242, 277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 40 ALA HA 43 HIS HD2 5.50 520 &rst ixpk= 0, nxpk= 0, iat= 524, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 62 ALA HA 65 HIS HD2 5.50 520 &rst ixpk= 0, nxpk= 0, iat= 806, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 84 ALA HA 87 HIS HD2 5.50 520 &rst ixpk= 0, nxpk= 0, iat=1088,1123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 18 ALA QB 19 GLY HN 4.50 244 &rst ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 244, 245, 246, &end # # 40 ALA QB 41 GLY HN 4.50 244 &rst ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 526, 527, 528, &end # # 62 ALA QB 63 GLY HN 4.50 244 &rst ixpk= 0, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 808, 809, 810, &end # # 84 ALA QB 85 GLY HN 4.50 244 &rst ixpk= 0, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1=1090,1091,1092, &end # # 18 ALA QB 20 GLY HN 7.03 395 &rst ixpk= 0, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 244, 245, 246, &end # # 40 ALA QB 42 GLY HN 7.03 395 &rst ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 526, 527, 528, &end # # 62 ALA QB 64 GLY HN 7.03 395 &rst ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 808, 809, 810, &end # # 84 ALA QB 86 GLY HN 7.03 395 &rst ixpk= 0, nxpk= 0, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1=1090,1091,1092, &end # # 18 ALA QB 21 HIS HD2 6.83 518 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr1= 244, 245, 246, &end # # 40 ALA QB 43 HIS HD2 6.83 518 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr1= 526, 527, 528, &end # # 62 ALA QB 65 HIS HD2 6.83 518 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr1= 808, 809, 810, &end # # 84 ALA QB 87 HIS HD2 6.83 518 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr1=1090,1091,1092, &end # # 19 GLY HN 19 GLY QA 3.50 48 &rst ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 252, 253, &end # # 41 GLY HN 41 GLY QA 3.50 48 &rst ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 534, 535, &end # # 63 GLY HN 63 GLY QA 3.50 48 &rst ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 816, 817, &end # # 85 GLY HN 85 GLY QA 3.50 48 &rst ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2=1098,1099, &end # # 19 GLY HN 20 GLY HN 4.50 338 &rst ixpk= 0, nxpk= 0, iat= 250, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 41 GLY HN 42 GLY HN 4.50 338 &rst ixpk= 0, nxpk= 0, iat= 532, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 63 GLY HN 64 GLY HN 4.50 338 &rst ixpk= 0, nxpk= 0, iat= 814, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 85 GLY HN 86 GLY HN 4.50 338 &rst ixpk= 0, nxpk= 0, iat=1096,1103, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 19 GLY HN 20 GLY QA 6.09 28 &rst ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2= 259, 260, &end # # 41 GLY HN 42 GLY QA 6.09 28 &rst ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2= 541, 542, &end # # 63 GLY HN 64 GLY QA 6.09 28 &rst ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2= 823, 824, &end # # 85 GLY HN 86 GLY QA 6.09 28 &rst ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2=1105,1106, &end # # 19 GLY HN 21 HIS HN 7.00 339 &rst ixpk= 0, nxpk= 0, iat= 250, 264, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 41 GLY HN 43 HIS HN 7.00 339 &rst ixpk= 0, nxpk= 0, iat= 532, 546, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 63 GLY HN 65 HIS HN 7.00 339 &rst ixpk= 0, nxpk= 0, iat= 814, 828, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 85 GLY HN 87 HIS HN 7.00 339 &rst ixpk= 0, nxpk= 0, iat=1096,1110, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 19 GLY HN 21 HIS HD2 5.50 522 &rst ixpk= 0, nxpk= 0, iat= 250, 277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 41 GLY HN 43 HIS HD2 5.50 522 &rst ixpk= 0, nxpk= 0, iat= 532, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 63 GLY HN 65 HIS HD2 5.50 522 &rst ixpk= 0, nxpk= 0, iat= 814, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 85 GLY HN 87 HIS HD2 5.50 522 &rst ixpk= 0, nxpk= 0, iat=1096,1123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 19 GLY HA1 19 GLY HA2 3.50 238 #This appears to be self-referential: ignoring # # 41 GLY HA1 41 GLY HA2 3.50 238 #This appears to be self-referential: ignoring # # 63 GLY HA1 63 GLY HA2 3.50 238 #This appears to be self-referential: ignoring # # 85 GLY HA1 85 GLY HA2 3.50 238 #This appears to be self-referential: ignoring # # 19 GLY QA 20 GLY HN 3.50 47 &rst ixpk= 0, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr1= 252, 253, &end # # 41 GLY QA 42 GLY HN 3.50 47 &rst ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr1= 534, 535, &end # # 63 GLY QA 64 GLY HN 3.50 47 &rst ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr1= 816, 817, &end # # 85 GLY QA 86 GLY HN 3.50 47 &rst ixpk= 0, nxpk= 0, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr1=1098,1099, &end # # 19 GLY QA 21 HIS HE1 6.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 252, 253, &end # # 41 GLY QA 43 HIS HE1 6.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 534, 535, &end # # 63 GLY QA 65 HIS HE1 6.50 4 &rst ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 816, 817, &end # # 85 GLY QA 87 HIS HE1 6.50 4 &rst ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1=1098,1099, &end # # 20 GLY HN 20 GLY QA 3.55 341 &rst ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 259, 260, &end # # 42 GLY HN 42 GLY QA 3.55 341 &rst ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 541, 542, &end # # 64 GLY HN 64 GLY QA 3.55 341 &rst ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 823, 824, &end # # 86 GLY HN 86 GLY QA 3.55 341 &rst ixpk= 0, nxpk= 0, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2=1105,1106, &end # # 20 GLY HN 21 HIS HD2 7.00 528 &rst ixpk= 0, nxpk= 0, iat= 257, 277, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 42 GLY HN 43 HIS HD2 7.00 528 &rst ixpk= 0, nxpk= 0, iat= 539, 559, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 64 GLY HN 65 HIS HD2 7.00 528 &rst ixpk= 0, nxpk= 0, iat= 821, 841, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 86 GLY HN 87 HIS HD2 7.00 528 &rst ixpk= 0, nxpk= 0, iat=1103,1123, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 20 GLY QA 21 HIS HN 4.50 234 &rst ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 259, 260, &end # # 42 GLY QA 43 HIS HN 4.50 234 &rst ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 541, 542, &end # # 64 GLY QA 65 HIS HN 4.50 234 &rst ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 823, 824, &end # # 86 GLY QA 87 HIS HN 4.50 234 &rst ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1=1105,1106, &end # # 21 HIS HN 21 HIS HA 3.55 1 &rst ixpk= 0, nxpk= 0, iat= 264, 266, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 43 HIS HN 43 HIS HA 3.55 1 &rst ixpk= 0, nxpk= 0, iat= 546, 548, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 65 HIS HN 65 HIS HA 3.55 1 &rst ixpk= 0, nxpk= 0, iat= 828, 830, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 87 HIS HN 87 HIS HA 3.55 1 &rst ixpk= 0, nxpk= 0, iat=1110,1112, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 21 HIS HN 21 HIS QB 4.00 173 &rst ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 268, 269, &end # # 43 HIS HN 43 HIS QB 4.00 173 &rst ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 550, 551, &end # # 65 HIS HN 65 HIS QB 4.00 173 &rst ixpk= 0, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 832, 833, &end # # 87 HIS HN 87 HIS QB 4.00 173 &rst ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2=1114,1115, &end # # 21 HIS HN 21 HIS HD2 5.50 525 &rst ixpk= 0, nxpk= 0, iat= 264, 277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 43 HIS HN 43 HIS HD2 5.50 525 &rst ixpk= 0, nxpk= 0, iat= 546, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 65 HIS HN 65 HIS HD2 5.50 525 &rst ixpk= 0, nxpk= 0, iat= 828, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 87 HIS HN 87 HIS HD2 5.50 525 &rst ixpk= 0, nxpk= 0, iat=1110,1123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 21 HIS HA 21 HIS QB 3.70 250 &rst ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2= 268, 269, &end # # 43 HIS HA 43 HIS QB 3.70 250 &rst ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2= 550, 551, &end # # 65 HIS HA 65 HIS QB 3.70 250 &rst ixpk= 0, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2= 832, 833, &end # # 87 HIS HA 87 HIS QB 3.70 250 &rst ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2=1114,1115, &end # # 21 HIS HA 21 HIS HD2 6.70 521 &rst ixpk= 0, nxpk= 0, iat= 266, 277, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end # # 43 HIS HA 43 HIS HD2 6.70 521 &rst ixpk= 0, nxpk= 0, iat= 548, 559, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end # # 65 HIS HA 65 HIS HD2 6.70 521 &rst ixpk= 0, nxpk= 0, iat= 830, 841, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end # # 87 HIS HA 87 HIS HD2 6.70 521 &rst ixpk= 0, nxpk= 0, iat=1112,1123, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end # # 21 HIS HB2 21 HIS HB3 3.50 248 &rst ixpk= 0, nxpk= 0, iat= 268, 269, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 43 HIS HB2 43 HIS HB3 3.50 248 &rst ixpk= 0, nxpk= 0, iat= 550, 551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 65 HIS HB2 65 HIS HB3 3.50 248 &rst ixpk= 0, nxpk= 0, iat= 832, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 87 HIS HB2 87 HIS HB3 3.50 248 &rst ixpk= 0, nxpk= 0, iat=1114,1115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 21 HIS QB 21 HIS HD2 4.00 503 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1= 268, 269, &end # # 43 HIS QB 43 HIS HD2 4.00 503 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1= 550, 551, &end # # 65 HIS QB 65 HIS HD2 4.00 503 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1= 832, 833, &end # # 87 HIS QB 87 HIS HD2 4.00 503 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1=1114,1115, &end # # 21 HIS HD2 21 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= 277, 274, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 43 HIS HD2 43 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= 559, 556, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 65 HIS HD2 65 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat= 841, 838, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end # # 87 HIS HD2 87 HIS HE1 7.50 4 &rst ixpk= 0, nxpk= 0, iat=1123,1120, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 1 H1 ACE 1 6.838 5.235 10.605 2 H2 ACE 1 H2 ACE 1 5.230 5.178 11.431 3 H3 ACE 1 H3 ACE 1 5.328 5.744 9.770 4 H ALA 2 H ALA 2 5.026 8.724 11.703 5 HA ALA 2 HA ALA 2 3.345 6.405 11.065 6 HB1 ALA 2 1HB ALA 2 1.530 8.160 11.401 7 HB2 ALA 2 2HB ALA 2 2.851 8.371 12.636 8 HB3 ALA 2 3HB ALA 2 2.777 9.431 11.318 9 H LYS 3 H LYS 3 4.330 9.269 9.168 10 HA LYS 3 HA LYS 3 2.583 8.595 6.935 11 HB2 LYS 3 2HB LYS 3 3.450 10.879 7.332 12 HB3 LYS 3 3HB LYS 3 5.015 10.272 6.749 13 HG2 LYS 3 2HG LYS 3 4.490 10.499 4.625 14 HG3 LYS 3 3HG LYS 3 2.914 9.720 4.876 15 HD2 LYS 3 2HD LYS 3 2.359 11.892 4.118 16 HD3 LYS 3 3HD LYS 3 2.107 11.928 5.869 17 HE2 LYS 3 2HE LYS 3 4.799 12.571 5.651 18 HE3 LYS 3 3HE LYS 3 4.011 13.386 4.254 19 HZ1 LYS 3 3HZ LYS 3 2.557 14.529 5.724 20 HZ2 LYS 3 1HZ LYS 3 3.380 13.784 6.987 21 HZ3 LYS 3 2HZ LYS 3 4.139 14.843 6.048 22 H ALA 4 H ALA 4 5.730 7.331 7.687 23 HA ALA 4 HA ALA 4 6.272 6.089 5.175 24 HB1 ALA 4 1HB ALA 4 7.754 6.085 7.164 25 HB2 ALA 4 2HB ALA 4 6.636 4.869 7.954 26 HB3 ALA 4 3HB ALA 4 7.597 4.536 6.508 27 H ALA 5 H ALA 5 3.889 5.385 7.745 28 HA ALA 5 HA ALA 5 3.127 2.831 6.804 29 HB1 ALA 5 1HB ALA 5 2.313 4.031 9.157 30 HB2 ALA 5 2HB ALA 5 1.073 4.630 8.145 31 HB3 ALA 5 3HB ALA 5 1.338 2.862 8.233 32 H ALA 6 H ALA 6 2.054 6.122 5.976 33 HA ALA 6 HA ALA 6 -0.170 5.421 4.338 34 HB1 ALA 6 1HB ALA 6 1.046 7.806 5.221 35 HB2 ALA 6 2HB ALA 6 1.649 7.709 3.586 36 HB3 ALA 6 3HB ALA 6 -0.122 7.566 3.850 37 H ALA 7 H ALA 7 3.232 6.068 3.557 38 HA ALA 7 HA ALA 7 3.010 5.337 0.771 39 HB1 ALA 7 1HB ALA 7 4.975 6.685 2.045 40 HB2 ALA 7 2HB ALA 7 5.284 5.125 2.742 41 HB3 ALA 7 3HB ALA 7 5.535 5.348 0.978 42 H ALA 8 H ALA 8 4.046 3.237 3.580 43 HA ALA 8 HA ALA 8 4.452 0.834 2.308 44 HB1 ALA 8 1HB ALA 8 4.079 0.047 4.477 45 HB2 ALA 8 2HB ALA 8 4.738 1.645 4.724 46 HB3 ALA 8 3HB ALA 8 3.036 1.440 4.974 47 H ILE 9 H ILE 9 1.385 1.913 3.840 48 HA ILE 9 HA ILE 9 -0.140 -0.141 2.754 49 HB ILE 9 HB ILE 9 -0.663 2.680 3.712 50 HG12 ILE 9 2HG1 ILE 9 -0.313 1.014 5.415 51 HG13 ILE 9 3HG1 ILE 9 -2.016 1.379 5.468 52 HG21 ILE 9 1HG2 ILE 9 -3.136 2.046 3.717 53 HG22 ILE 9 2HG2 ILE 9 -2.445 2.578 2.169 54 HG23 ILE 9 3HG2 ILE 9 -2.753 0.803 2.512 55 HD11 ILE 9 3HD1 ILE 9 -0.650 -1.035 4.405 56 HD12 ILE 9 1HD1 ILE 9 -1.814 -1.085 5.688 57 HD13 ILE 9 2HD1 ILE 9 -2.382 -0.702 4.040 58 H LYS 10 H LYS 10 0.546 3.064 1.382 59 HA LYS 10 HA LYS 10 -0.871 2.576 -0.944 60 HB2 LYS 10 2HB LYS 10 -0.144 4.769 -0.061 61 HB3 LYS 10 3HB LYS 10 1.349 4.641 -0.825 62 HG2 LYS 10 2HG LYS 10 -1.111 4.023 -2.503 63 HG3 LYS 10 3HG LYS 10 -0.986 5.695 -1.943 64 HD2 LYS 10 2HD LYS 10 1.152 6.017 -2.962 65 HD3 LYS 10 3HD LYS 10 1.231 4.410 -3.594 66 HE2 LYS 10 2HE LYS 10 -0.683 4.750 -5.057 67 HE3 LYS 10 3HE LYS 10 -1.084 6.206 -4.040 68 HZ1 LYS 10 3HZ LYS 10 1.230 6.131 -5.883 69 HZ2 LYS 10 1HZ LYS 10 -0.169 6.797 -6.112 70 HZ3 LYS 10 2HZ LYS 10 0.782 7.344 -4.873 71 H ALA 11 H ALA 11 2.388 1.530 -0.286 72 HA ALA 11 HA ALA 11 3.110 0.894 -2.924 73 HB1 ALA 11 1HB ALA 11 5.045 -0.265 -1.808 74 HB2 ALA 11 2HB ALA 11 4.677 1.224 -1.100 75 HB3 ALA 11 3HB ALA 11 4.125 -0.291 -0.317 76 H ILE 12 H ILE 12 1.851 -1.159 -0.141 77 HA ILE 12 HA ILE 12 1.424 -3.530 -1.683 78 HB ILE 12 HB ILE 12 0.221 -4.288 0.140 79 HG12 ILE 12 2HG1 ILE 12 0.752 -1.838 1.823 80 HG13 ILE 12 3HG1 ILE 12 -0.829 -2.220 1.160 81 HG21 ILE 12 1HG2 ILE 12 2.823 -2.877 0.914 82 HG22 ILE 12 2HG2 ILE 12 2.012 -4.323 1.750 83 HG23 ILE 12 3HG2 ILE 12 2.578 -4.390 0.105 84 HD11 ILE 12 3HD1 ILE 12 -0.909 -2.986 3.418 85 HD12 ILE 12 1HD1 ILE 12 -0.707 -4.419 2.454 86 HD13 ILE 12 2HD1 ILE 12 0.634 -3.672 3.417 87 H ALA 13 H ALA 13 -0.582 -0.683 -1.063 88 HA ALA 13 HA ALA 13 -3.069 -1.495 -1.668 89 HB1 ALA 13 1HB ALA 13 -1.599 1.104 -2.228 90 HB2 ALA 13 2HB ALA 13 -3.273 0.871 -2.652 91 HB3 ALA 13 3HB ALA 13 -2.921 0.855 -1.010 92 H ALA 14 H ALA 14 -0.745 -0.164 -4.005 93 HA ALA 14 HA ALA 14 -2.301 -0.691 -6.387 94 HB1 ALA 14 1HB ALA 14 0.703 -0.166 -5.860 95 HB2 ALA 14 2HB ALA 14 -0.109 0.078 -7.433 96 HB3 ALA 14 3HB ALA 14 -0.511 1.076 -6.000 97 H ILE 15 H ILE 15 -0.062 -2.609 -4.589 98 HA ILE 15 HA ILE 15 0.014 -4.814 -6.604 99 HB ILE 15 HB ILE 15 1.312 -4.120 -4.151 100 HG12 ILE 15 2HG1 ILE 15 2.563 -6.288 -5.527 101 HG13 ILE 15 3HG1 ILE 15 1.932 -5.245 -6.761 102 HG21 ILE 15 1HG2 ILE 15 0.637 -7.065 -4.334 103 HG22 ILE 15 2HG2 ILE 15 1.578 -6.324 -3.196 104 HG23 ILE 15 3HG2 ILE 15 -0.115 -5.847 -3.137 105 HD11 ILE 15 3HD1 ILE 15 4.194 -4.781 -6.132 106 HD12 ILE 15 1HD1 ILE 15 3.201 -3.344 -5.968 107 HD13 ILE 15 2HD1 ILE 15 3.669 -4.293 -4.474 108 H ILE 16 H ILE 16 -1.964 -3.919 -3.786 109 HA ILE 16 HA ILE 16 -2.757 -6.449 -3.268 110 HB ILE 16 HB ILE 16 -3.552 -3.812 -2.624 111 HG12 ILE 16 2HG1 ILE 16 -3.548 -6.174 -0.807 112 HG13 ILE 16 3HG1 ILE 16 -2.019 -5.704 -1.453 113 HG21 ILE 16 1HG2 ILE 16 -5.531 -4.411 -1.401 114 HG22 ILE 16 2HG2 ILE 16 -5.828 -4.692 -3.043 115 HG23 ILE 16 3HG2 ILE 16 -5.542 -6.099 -1.897 116 HD11 ILE 16 3HD1 ILE 16 -2.030 -3.611 -0.241 117 HD12 ILE 16 1HD1 ILE 16 -3.774 -3.897 0.236 118 HD13 ILE 16 2HD1 ILE 16 -2.367 -4.973 0.718 119 H LYS 17 H LYS 17 -3.952 -4.490 -5.589 120 HA LYS 17 HA LYS 17 -6.229 -5.921 -6.846 121 HB2 LYS 17 2HB LYS 17 -4.169 -3.898 -7.814 122 HB3 LYS 17 3HB LYS 17 -5.386 -4.477 -8.892 123 HG2 LYS 17 2HG LYS 17 -6.295 -2.528 -8.273 124 HG3 LYS 17 3HG LYS 17 -7.126 -3.508 -7.106 125 HD2 LYS 17 2HD LYS 17 -5.811 -2.833 -5.306 126 HD3 LYS 17 3HD LYS 17 -4.581 -2.097 -6.282 127 HE2 LYS 17 2HE LYS 17 -6.785 -0.793 -7.271 128 HE3 LYS 17 3HE LYS 17 -7.348 -1.131 -5.661 129 HZ1 LYS 17 3HZ LYS 17 -6.215 0.917 -5.646 130 HZ2 LYS 17 1HZ LYS 17 -5.188 -0.052 -4.887 131 HZ3 LYS 17 2HZ LYS 17 -4.901 0.422 -6.431 132 H ALA 18 H ALA 18 -2.851 -6.777 -6.794 133 HA ALA 18 HA ALA 18 -3.008 -8.192 -9.246 134 HB1 ALA 18 1HB ALA 18 -1.365 -8.704 -6.755 135 HB2 ALA 18 2HB ALA 18 -1.041 -9.259 -8.454 136 HB3 ALA 18 3HB ALA 18 -0.884 -7.563 -8.142 137 H GLY 19 H GLY 19 -4.444 -8.902 -6.221 138 HA2 GLY 19 2HA GLY 19 -5.442 -11.427 -6.949 139 HA3 GLY 19 3HA GLY 19 -4.003 -11.728 -5.924 140 H GLY 20 H GLY 20 -5.118 -12.573 -3.969 141 HA2 GLY 20 2HA GLY 20 -7.073 -10.785 -2.680 142 HA3 GLY 20 3HA GLY 20 -6.853 -12.538 -2.365 143 H HIS 21 H HIS 21 -4.553 -9.588 -2.694 144 HA HIS 21 HA HIS 21 -3.161 -10.602 -0.392 145 HB2 HIS 21 2HB HIS 21 -2.926 -7.951 -1.835 146 HB3 HIS 21 3HB HIS 21 -1.734 -8.478 -0.730 147 HD1 HIS 21 1HD HIS 21 -1.228 -11.474 -1.753 148 HD2 HIS 21 2HD HIS 21 -1.451 -7.967 -4.041 149 HE1 HIS 21 1HE HIS 21 0.081 -11.906 -3.828 150 HE2 HIS 21 2HE HIS 21 -0.135 -9.891 -5.344 151 HN1 NH2 22 HN1 NH2 22 -5.039 -9.378 2.179 152 H1 ACE 23 H1 ACE 23 -0.785 -13.705 -7.059 153 H2 ACE 23 H2 ACE 23 -1.404 -13.969 -5.362 154 H3 ACE 23 H3 ACE 23 -0.459 -12.575 -5.913 155 H ALA 24 H ALA 24 0.064 -14.554 -3.883 156 HA ALA 24 HA ALA 24 1.890 -15.577 -2.775 157 HB1 ALA 24 1HB ALA 24 3.046 -17.489 -3.929 158 HB2 ALA 24 2HB ALA 24 1.309 -17.570 -3.888 159 HB3 ALA 24 3HB ALA 24 2.198 -17.019 -5.353 160 H LYS 25 H LYS 25 3.354 -15.160 -5.971 161 HA LYS 25 HA LYS 25 5.850 -14.189 -4.852 162 HB2 LYS 25 2HB LYS 25 4.690 -14.184 -7.704 163 HB3 LYS 25 3HB LYS 25 6.364 -13.777 -7.269 164 HG2 LYS 25 2HG LYS 25 6.782 -15.832 -7.916 165 HG3 LYS 25 3HG LYS 25 6.429 -16.201 -6.276 166 HD2 LYS 25 2HD LYS 25 4.007 -16.736 -7.106 167 HD3 LYS 25 3HD LYS 25 4.624 -16.458 -8.709 168 HE2 LYS 25 2HE LYS 25 4.770 -18.845 -8.299 169 HE3 LYS 25 3HE LYS 25 6.393 -18.220 -8.174 170 HZ1 LYS 25 3HZ LYS 25 6.141 -18.375 -5.807 171 HZ2 LYS 25 1HZ LYS 25 4.644 -19.096 -5.927 172 HZ3 LYS 25 2HZ LYS 25 6.012 -19.818 -6.521 173 H ALA 26 H ALA 26 3.329 -12.725 -6.578 174 HA ALA 26 HA ALA 26 4.079 -10.040 -6.076 175 HB1 ALA 26 1HB ALA 26 2.180 -10.746 -7.704 176 HB2 ALA 26 2HB ALA 26 1.284 -11.271 -6.288 177 HB3 ALA 26 3HB ALA 26 1.633 -9.519 -6.537 178 H ALA 27 H ALA 27 2.274 -12.169 -3.775 179 HA ALA 27 HA ALA 27 2.027 -10.113 -1.866 180 HB1 ALA 27 1HB ALA 27 2.533 -12.944 -1.063 181 HB2 ALA 27 2HB ALA 27 1.328 -11.861 -0.405 182 HB3 ALA 27 3HB ALA 27 1.055 -12.677 -1.948 183 H ALA 28 H ALA 28 4.498 -12.590 -2.084 184 HA ALA 28 HA ALA 28 6.131 -11.901 -0.046 185 HB1 ALA 28 1HB ALA 28 7.677 -13.273 -1.152 186 HB2 ALA 28 2HB ALA 28 6.081 -13.959 -1.472 187 HB3 ALA 28 3HB ALA 28 7.062 -12.966 -2.723 188 H ALA 29 H ALA 29 6.333 -10.738 -3.308 189 HA ALA 29 HA ALA 29 8.464 -8.783 -3.192 190 HB1 ALA 29 1HB ALA 29 5.953 -8.857 -4.837 191 HB2 ALA 29 2HB ALA 29 7.378 -7.780 -5.089 192 HB3 ALA 29 3HB ALA 29 7.521 -9.504 -5.310 193 H ALA 30 H ALA 30 5.013 -8.183 -2.515 194 HA ALA 30 HA ALA 30 5.395 -5.482 -1.807 195 HB1 ALA 30 1HB ALA 30 3.211 -5.469 -1.818 196 HB2 ALA 30 2HB ALA 30 3.328 -7.174 -2.567 197 HB3 ALA 30 3HB ALA 30 2.887 -6.801 -0.926 198 H ILE 31 H ILE 31 4.860 -8.468 0.043 199 HA ILE 31 HA ILE 31 5.059 -7.550 2.693 200 HB ILE 31 HB ILE 31 5.773 -10.244 1.351 201 HG12 ILE 31 2HG1 ILE 31 3.409 -9.605 1.488 202 HG13 ILE 31 3HG1 ILE 31 3.910 -11.001 2.512 203 HG21 ILE 31 1HG2 ILE 31 5.906 -9.454 4.235 204 HG22 ILE 31 2HG2 ILE 31 5.862 -11.123 3.735 205 HG23 ILE 31 3HG2 ILE 31 7.195 -10.090 3.129 206 HD11 ILE 31 3HD1 ILE 31 2.278 -9.840 3.789 207 HD12 ILE 31 1HD1 ILE 31 3.751 -9.829 4.520 208 HD13 ILE 31 2HD1 ILE 31 3.071 -8.355 3.586 209 H LYS 32 H LYS 32 7.677 -8.363 0.313 210 HA LYS 32 HA LYS 32 9.774 -7.606 2.059 211 HB2 LYS 32 2HB LYS 32 9.361 -8.485 -0.726 212 HB3 LYS 32 3HB LYS 32 10.711 -7.349 -0.636 213 HG2 LYS 32 2HG LYS 32 11.671 -8.577 1.238 214 HG3 LYS 32 3HG LYS 32 10.538 -9.858 0.982 215 HD2 LYS 32 2HD LYS 32 11.663 -9.581 -1.542 216 HD3 LYS 32 3HD LYS 32 12.985 -9.131 -0.410 217 HE2 LYS 32 2HE LYS 32 13.325 -11.383 -0.850 218 HE3 LYS 32 3HE LYS 32 12.770 -11.201 0.776 219 HZ1 LYS 32 3HZ LYS 32 11.642 -13.027 -0.607 220 HZ2 LYS 32 1HZ LYS 32 10.487 -11.912 -0.147 221 HZ3 LYS 32 2HZ LYS 32 11.138 -11.904 -1.604 222 H ALA 33 H ALA 33 7.932 -5.550 -0.312 223 HA ALA 33 HA ALA 33 9.396 -3.229 0.100 224 HB1 ALA 33 1HB ALA 33 7.323 -2.115 -0.644 225 HB2 ALA 33 2HB ALA 33 7.818 -3.514 -1.660 226 HB3 ALA 33 3HB ALA 33 6.442 -3.537 -0.558 227 H ILE 34 H ILE 34 6.432 -4.405 1.963 228 HA ILE 34 HA ILE 34 6.807 -2.261 3.860 229 HB ILE 34 HB ILE 34 5.109 -3.292 5.199 230 HG12 ILE 34 2HG1 ILE 34 4.885 -5.403 3.081 231 HG13 ILE 34 3HG1 ILE 34 5.532 -5.696 4.712 232 HG21 ILE 34 1HG2 ILE 34 4.189 -3.186 2.364 233 HG22 ILE 34 2HG2 ILE 34 3.403 -2.715 3.875 234 HG23 ILE 34 3HG2 ILE 34 4.646 -1.698 3.232 235 HD11 ILE 34 3HD1 ILE 34 2.668 -5.210 4.070 236 HD12 ILE 34 1HD1 ILE 34 3.522 -6.505 4.921 237 HD13 ILE 34 2HD1 ILE 34 3.424 -4.835 5.638 238 H ALA 35 H ALA 35 7.947 -5.709 3.890 239 HA ALA 35 HA ALA 35 8.764 -5.861 6.340 240 HB1 ALA 35 1HB ALA 35 9.150 -7.658 4.801 241 HB2 ALA 35 2HB ALA 35 10.572 -6.813 4.103 242 HB3 ALA 35 3HB ALA 35 10.442 -7.464 5.785 243 H ALA 36 H ALA 36 10.445 -4.092 4.109 244 HA ALA 36 HA ALA 36 12.663 -3.122 5.799 245 HB1 ALA 36 1HB ALA 36 13.129 -1.627 3.651 246 HB2 ALA 36 2HB ALA 36 13.203 -3.411 3.584 247 HB3 ALA 36 3HB ALA 36 11.772 -2.437 2.942 248 H ILE 37 H ILE 37 9.759 -1.655 4.320 249 HA ILE 37 HA ILE 37 10.270 0.828 5.641 250 HB ILE 37 HB ILE 37 8.649 -0.110 3.709 251 HG12 ILE 37 2HG1 ILE 37 7.684 2.451 4.762 252 HG13 ILE 37 3HG1 ILE 37 9.417 2.316 4.335 253 HG21 ILE 37 1HG2 ILE 37 6.905 -0.910 5.549 254 HG22 ILE 37 2HG2 ILE 37 6.591 0.841 5.687 255 HG23 ILE 37 3HG2 ILE 37 6.336 -0.100 4.184 256 HD11 ILE 37 3HD1 ILE 37 7.288 1.537 2.377 257 HD12 ILE 37 1HD1 ILE 37 8.199 3.063 2.395 258 HD13 ILE 37 2HD1 ILE 37 9.045 1.603 2.126 259 H ILE 38 H ILE 38 8.587 -1.923 6.774 260 HA ILE 38 HA ILE 38 7.322 -0.857 9.027 261 HB ILE 38 HB ILE 38 8.537 -3.622 8.472 262 HG12 ILE 38 2HG1 ILE 38 5.717 -3.083 9.135 263 HG13 ILE 38 3HG1 ILE 38 6.353 -2.523 7.590 264 HG21 ILE 38 1HG2 ILE 38 7.299 -2.990 11.206 265 HG22 ILE 38 2HG2 ILE 38 7.564 -4.619 10.576 266 HG23 ILE 38 3HG2 ILE 38 8.869 -3.624 10.811 267 HD11 ILE 38 3HD1 ILE 38 6.432 -5.294 8.628 268 HD12 ILE 38 1HD1 ILE 38 5.335 -4.653 7.310 269 HD13 ILE 38 2HD1 ILE 38 7.056 -4.827 6.994 270 H LYS 39 H LYS 39 10.726 -1.175 8.715 271 HA LYS 39 HA LYS 39 11.435 -0.917 11.485 272 HB2 LYS 39 2HB LYS 39 12.769 -0.581 8.801 273 HB3 LYS 39 3HB LYS 39 13.537 -0.011 10.282 274 HG2 LYS 39 2HG LYS 39 14.395 -2.186 10.282 275 HG3 LYS 39 3HG LYS 39 12.810 -2.478 11.069 276 HD2 LYS 39 2HD LYS 39 11.923 -2.716 8.628 277 HD3 LYS 39 3HD LYS 39 13.535 -3.148 8.197 278 HE2 LYS 39 2HE LYS 39 12.793 -5.233 8.842 279 HE3 LYS 39 3HE LYS 39 13.330 -4.718 10.411 280 HZ1 LYS 39 3HZ LYS 39 11.021 -4.000 10.872 281 HZ2 LYS 39 1HZ LYS 39 10.547 -4.345 9.418 282 HZ3 LYS 39 2HZ LYS 39 11.091 -5.587 10.364 283 H ALA 40 H ALA 40 9.922 1.330 9.261 284 HA ALA 40 HA ALA 40 10.778 3.769 10.546 285 HB1 ALA 40 1HB ALA 40 8.757 4.591 9.487 286 HB2 ALA 40 2HB ALA 40 9.486 3.537 8.355 287 HB3 ALA 40 3HB ALA 40 8.056 2.970 9.231 288 H GLY 41 H GLY 41 8.331 1.381 11.718 289 HA2 GLY 41 2HA GLY 41 8.201 1.378 14.139 290 HA3 GLY 41 3HA GLY 41 8.255 3.116 14.109 291 H GLY 42 H GLY 42 6.385 1.189 15.224 292 HA2 GLY 42 2HA GLY 42 4.239 1.036 15.729 293 HA3 GLY 42 3HA GLY 42 3.803 2.351 14.618 294 H HIS 43 H HIS 43 4.950 0.897 12.268 295 HA HIS 43 HA HIS 43 3.081 -1.173 11.676 296 HB2 HIS 43 2HB HIS 43 5.824 -1.091 10.366 297 HB3 HIS 43 3HB HIS 43 4.295 -1.527 9.659 298 HD1 HIS 43 1HD HIS 43 3.187 1.708 10.951 299 HD2 HIS 43 2HD HIS 43 6.176 0.514 8.216 300 HE1 HIS 43 1HE HIS 43 4.158 3.840 9.826 301 HE2 HIS 43 2HE HIS 43 5.917 3.112 8.291 302 HN1 NH2 44 HN1 NH2 44 5.409 -4.006 12.046 303 H1 ACE 45 H1 ACE 45 -0.975 8.459 5.768 304 H2 ACE 45 H2 ACE 45 -2.031 9.675 5.009 305 H3 ACE 45 H3 ACE 45 -1.908 9.620 6.796 306 H ALA 46 H ALA 46 -4.481 9.162 6.078 307 HA ALA 46 HA ALA 46 -6.256 7.949 6.353 308 HB1 ALA 46 1HB ALA 46 -4.819 5.778 4.856 309 HB2 ALA 46 2HB ALA 46 -6.303 5.611 5.584 310 HB3 ALA 46 3HB ALA 46 -6.054 6.777 4.162 311 H LYS 47 H LYS 47 -7.182 6.995 7.851 312 HA LYS 47 HA LYS 47 -5.569 6.291 10.186 313 HB2 LYS 47 2HB LYS 47 -7.489 8.000 10.061 314 HB3 LYS 47 3HB LYS 47 -8.570 6.634 10.164 315 HG2 LYS 47 2HG LYS 47 -7.572 5.994 12.351 316 HG3 LYS 47 3HG LYS 47 -6.479 7.397 12.261 317 HD2 LYS 47 2HD LYS 47 -8.133 8.255 13.586 318 HD3 LYS 47 3HD LYS 47 -8.402 8.869 11.961 319 HE2 LYS 47 2HE LYS 47 -10.040 6.798 11.657 320 HE3 LYS 47 3HE LYS 47 -9.778 6.509 13.387 321 HZ1 LYS 47 3HZ LYS 47 -10.858 9.031 12.212 322 HZ2 LYS 47 1HZ LYS 47 -11.669 8.057 13.076 323 HZ3 LYS 47 2HZ LYS 47 -10.561 8.858 13.821 324 H ALA 48 H ALA 48 -8.144 4.751 8.369 325 HA ALA 48 HA ALA 48 -8.090 2.088 9.714 326 HB1 ALA 48 1HB ALA 48 -8.726 3.078 6.869 327 HB2 ALA 48 2HB ALA 48 -8.805 1.440 7.409 328 HB3 ALA 48 3HB ALA 48 -9.795 2.708 8.207 329 H ALA 49 H ALA 49 -5.768 3.807 7.518 330 HA ALA 49 HA ALA 49 -4.476 1.348 6.584 331 HB1 ALA 49 1HB ALA 49 -2.679 3.440 6.387 332 HB2 ALA 49 2HB ALA 49 -3.937 3.089 5.186 333 HB3 ALA 49 3HB ALA 49 -4.109 4.297 6.626 334 H ALA 50 H ALA 50 -3.956 3.905 9.107 335 HA ALA 50 HA ALA 50 -1.724 2.652 10.386 336 HB1 ALA 50 1HB ALA 50 -2.237 5.008 10.461 337 HB2 ALA 50 2HB ALA 50 -3.686 4.692 11.482 338 HB3 ALA 50 3HB ALA 50 -2.015 4.363 12.011 339 H ALA 51 H ALA 51 -5.211 2.369 11.296 340 HA ALA 51 HA ALA 51 -4.870 0.612 13.221 341 HB1 ALA 51 1HB ALA 51 -7.091 1.592 12.678 342 HB2 ALA 51 2HB ALA 51 -7.204 0.358 11.374 343 HB3 ALA 51 3HB ALA 51 -7.023 -0.117 13.109 344 H ALA 52 H ALA 52 -5.366 -0.315 9.837 345 HA ALA 52 HA ALA 52 -5.215 -3.105 9.809 346 HB1 ALA 52 1HB ALA 52 -5.990 -1.685 7.865 347 HB2 ALA 52 2HB ALA 52 -4.427 -0.899 7.755 348 HB3 ALA 52 3HB ALA 52 -4.521 -2.610 7.445 349 H ILE 53 H ILE 53 -2.670 -0.673 9.251 350 HA ILE 53 HA ILE 53 -0.463 -2.476 9.113 351 HB ILE 53 HB ILE 53 -0.942 0.487 9.717 352 HG12 ILE 53 2HG1 ILE 53 -1.082 -0.114 7.311 353 HG13 ILE 53 3HG1 ILE 53 0.338 0.940 7.748 354 HG21 ILE 53 1HG2 ILE 53 0.840 0.335 11.063 355 HG22 ILE 53 2HG2 ILE 53 1.573 -0.953 9.937 356 HG23 ILE 53 3HG2 ILE 53 1.527 0.801 9.503 357 HD11 ILE 53 3HD1 ILE 53 1.830 -1.008 7.687 358 HD12 ILE 53 1HD1 ILE 53 0.657 -1.929 6.769 359 HD13 ILE 53 2HD1 ILE 53 1.241 -0.505 6.145 360 H LYS 54 H LYS 54 -1.887 -0.702 11.974 361 HA LYS 54 HA LYS 54 -0.076 -1.905 13.722 362 HB2 LYS 54 2HB LYS 54 -1.803 0.042 13.977 363 HB3 LYS 54 3HB LYS 54 -2.953 -1.137 14.415 364 HG2 LYS 54 2HG LYS 54 -0.317 -1.244 15.809 365 HG3 LYS 54 3HG LYS 54 -1.167 0.198 16.191 366 HD2 LYS 54 2HD LYS 54 -2.920 -2.051 16.584 367 HD3 LYS 54 3HD LYS 54 -1.429 -2.300 17.427 368 HE2 LYS 54 2HE LYS 54 -2.906 -1.079 18.888 369 HE3 LYS 54 3HE LYS 54 -1.687 0.055 18.408 370 HZ1 LYS 54 3HZ LYS 54 -3.305 1.061 16.901 371 HZ2 LYS 54 1HZ LYS 54 -4.378 -0.089 17.174 372 HZ3 LYS 54 2HZ LYS 54 -3.873 0.968 18.389 373 H ALA 55 H ALA 55 -3.260 -3.199 12.525 374 HA ALA 55 HA ALA 55 -3.142 -5.575 14.084 375 HB1 ALA 55 1HB ALA 55 -4.692 -6.510 12.589 376 HB2 ALA 55 2HB ALA 55 -5.097 -4.761 12.924 377 HB3 ALA 55 3HB ALA 55 -4.271 -5.353 11.395 378 H ILE 56 H ILE 56 -1.838 -5.051 10.941 379 HA ILE 56 HA ILE 56 -0.522 -7.687 10.910 380 HB ILE 56 HB ILE 56 0.603 -7.138 8.872 381 HG12 ILE 56 2HG1 ILE 56 -0.755 -4.439 8.915 382 HG13 ILE 56 3HG1 ILE 56 0.916 -4.624 9.340 383 HG21 ILE 56 1HG2 ILE 56 -1.636 -8.031 9.186 384 HG22 ILE 56 2HG2 ILE 56 -2.283 -6.426 8.881 385 HG23 ILE 56 3HG2 ILE 56 -1.261 -7.380 7.591 386 HD11 ILE 56 3HD1 ILE 56 -0.406 -5.336 6.662 387 HD12 ILE 56 1HD1 ILE 56 0.989 -4.164 7.128 388 HD13 ILE 56 2HD1 ILE 56 1.209 -5.847 6.967 389 H ALA 57 H ALA 57 0.533 -4.616 12.187 390 HA ALA 57 HA ALA 57 3.161 -4.931 11.995 391 HB1 ALA 57 1HB ALA 57 1.655 -3.901 14.445 392 HB2 ALA 57 2HB ALA 57 3.313 -3.706 14.174 393 HB3 ALA 57 3HB ALA 57 2.149 -2.830 13.035 394 H ALA 58 H ALA 58 1.471 -6.192 14.674 395 HA ALA 58 HA ALA 58 3.563 -7.907 15.739 396 HB1 ALA 58 1HB ALA 58 1.625 -7.050 17.122 397 HB2 ALA 58 2HB ALA 58 0.560 -7.947 15.887 398 HB3 ALA 58 3HB ALA 58 1.697 -8.747 17.025 399 H ILE 59 H ILE 59 1.010 -8.482 13.299 400 HA ILE 59 HA ILE 59 1.450 -11.320 13.233 401 HB ILE 59 HB ILE 59 -0.418 -9.689 12.240 402 HG12 ILE 59 2HG1 ILE 59 0.006 -12.606 11.583 403 HG13 ILE 59 3HG1 ILE 59 -0.373 -12.075 13.194 404 HG21 ILE 59 1HG2 ILE 59 1.056 -11.102 9.992 405 HG22 ILE 59 2HG2 ILE 59 -0.470 -10.073 9.784 406 HG23 ILE 59 3HG2 ILE 59 1.041 -9.344 10.162 407 HD11 ILE 59 3HD1 ILE 59 -2.419 -12.588 11.885 408 HD12 ILE 59 1HD1 ILE 59 -2.498 -10.885 12.290 409 HD13 ILE 59 2HD1 ILE 59 -2.046 -11.420 10.677 410 H ILE 60 H ILE 60 2.898 -8.729 11.573 411 HA ILE 60 HA ILE 60 4.463 -10.128 9.672 412 HB ILE 60 HB ILE 60 4.212 -7.467 10.820 413 HG12 ILE 60 2HG1 ILE 60 5.361 -7.590 8.072 414 HG13 ILE 60 3HG1 ILE 60 3.740 -8.345 8.300 415 HG21 ILE 60 1HG2 ILE 60 6.101 -6.344 10.316 416 HG22 ILE 60 2HG2 ILE 60 6.548 -7.638 11.345 417 HG23 ILE 60 3HG2 ILE 60 7.001 -7.828 9.647 418 HD11 ILE 60 3HD1 ILE 60 3.423 -6.212 7.548 419 HD12 ILE 60 1HD1 ILE 60 2.699 -6.456 9.126 420 HD13 ILE 60 2HD1 ILE 60 4.125 -5.462 9.006 421 H LYS 61 H LYS 61 5.150 -9.316 13.067 422 HA LYS 61 HA LYS 61 7.775 -10.249 13.045 423 HB2 LYS 61 2HB LYS 61 7.745 -9.906 15.302 424 HB3 LYS 61 3HB LYS 61 6.286 -8.996 14.825 425 HG2 LYS 61 2HG LYS 61 5.232 -10.134 16.339 426 HG3 LYS 61 3HG LYS 61 5.106 -11.425 15.221 427 HD2 LYS 61 2HD LYS 61 5.822 -12.547 17.068 428 HD3 LYS 61 3HD LYS 61 7.357 -12.232 16.250 429 HE2 LYS 61 2HE LYS 61 7.609 -10.158 17.726 430 HE3 LYS 61 3HE LYS 61 6.179 -10.739 18.600 431 HZ1 LYS 61 3HZ LYS 61 8.664 -12.358 18.343 432 HZ2 LYS 61 1HZ LYS 61 8.280 -11.488 19.610 433 HZ3 LYS 61 2HZ LYS 61 7.295 -12.702 19.179 434 H ALA 62 H ALA 62 4.899 -12.128 13.000 435 HA ALA 62 HA ALA 62 5.543 -14.591 13.919 436 HB1 ALA 62 1HB ALA 62 3.502 -13.952 12.939 437 HB2 ALA 62 2HB ALA 62 4.152 -14.075 11.274 438 HB3 ALA 62 3HB ALA 62 4.166 -15.493 12.296 439 H GLY 63 H GLY 63 6.694 -13.041 11.079 440 HA2 GLY 63 2HA GLY 63 8.744 -15.111 10.544 441 HA3 GLY 63 3HA GLY 63 7.616 -14.755 9.238 442 H GLY 64 H GLY 64 9.074 -14.100 7.788 443 HA2 GLY 64 2HA GLY 64 11.035 -11.878 8.280 444 HA3 GLY 64 3HA GLY 64 10.927 -12.935 6.886 445 H HIS 65 H HIS 65 7.745 -11.434 8.051 446 HA HIS 65 HA HIS 65 7.435 -10.306 5.505 447 HB2 HIS 65 2HB HIS 65 5.916 -9.836 8.092 448 HB3 HIS 65 3HB HIS 65 5.279 -9.664 6.465 449 HD1 HIS 65 1HD HIS 65 6.708 -12.714 5.781 450 HD2 HIS 65 2HD HIS 65 3.706 -11.691 8.622 451 HE1 HIS 65 1HE HIS 65 5.286 -14.734 6.134 452 HE2 HIS 65 2HE HIS 65 3.659 -14.145 8.035 453 HN1 NH2 66 HN1 NH2 66 9.004 -7.375 7.769 454 H1 ACE 67 H1 ACE 67 6.496 -17.287 -2.243 455 H2 ACE 67 H2 ACE 67 5.019 -18.265 -2.137 456 H3 ACE 67 H3 ACE 67 4.913 -16.472 -1.982 457 H ALA 68 H ALA 68 3.738 -17.439 0.114 458 HA ALA 68 HA ALA 68 5.323 -18.655 2.132 459 HB1 ALA 68 1HB ALA 68 6.231 -16.433 2.374 460 HB2 ALA 68 2HB ALA 68 4.792 -15.714 2.027 461 HB3 ALA 68 3HB ALA 68 5.084 -16.591 3.673 462 H LYS 69 H LYS 69 4.074 -19.331 3.769 463 HA LYS 69 HA LYS 69 1.126 -19.598 3.735 464 HB2 LYS 69 2HB LYS 69 3.507 -20.899 4.787 465 HB3 LYS 69 3HB LYS 69 2.500 -20.707 6.144 466 HG2 LYS 69 2HG LYS 69 1.433 -21.881 3.555 467 HG3 LYS 69 3HG LYS 69 2.258 -22.838 4.808 468 HD2 LYS 69 2HD LYS 69 0.297 -23.175 5.778 469 HD3 LYS 69 3HD LYS 69 0.289 -21.458 6.250 470 HE2 LYS 69 2HE LYS 69 -1.692 -21.516 5.119 471 HE3 LYS 69 3HE LYS 69 -0.516 -20.975 3.856 472 HZ1 LYS 69 3HZ LYS 69 -0.380 -23.012 2.876 473 HZ2 LYS 69 1HZ LYS 69 -1.376 -23.723 4.048 474 HZ3 LYS 69 2HZ LYS 69 -1.895 -22.625 3.023 475 H ALA 70 H ALA 70 3.470 -18.400 6.383 476 HA ALA 70 HA ALA 70 1.354 -17.061 7.611 477 HB1 ALA 70 1HB ALA 70 3.672 -17.817 8.520 478 HB2 ALA 70 2HB ALA 70 4.381 -16.637 7.460 479 HB3 ALA 70 3HB ALA 70 3.428 -16.045 8.797 480 H ALA 71 H ALA 71 3.162 -15.989 4.820 481 HA ALA 71 HA ALA 71 2.269 -13.255 5.289 482 HB1 ALA 71 1HB ALA 71 4.393 -13.591 3.744 483 HB2 ALA 71 2HB ALA 71 3.180 -14.402 2.608 484 HB3 ALA 71 3HB ALA 71 3.097 -12.781 3.064 485 H ALA 72 H ALA 72 1.251 -15.984 3.181 486 HA ALA 72 HA ALA 72 -0.933 -14.741 2.018 487 HB1 ALA 72 1HB ALA 72 -0.562 -17.612 2.618 488 HB2 ALA 72 2HB ALA 72 -1.889 -17.084 1.745 489 HB3 ALA 72 3HB ALA 72 -0.381 -16.674 1.007 490 H ALA 73 H ALA 73 -0.627 -16.238 5.191 491 HA ALA 73 HA ALA 73 -3.360 -15.872 5.967 492 HB1 ALA 73 1HB ALA 73 -2.040 -17.626 7.094 493 HB2 ALA 73 2HB ALA 73 -0.998 -16.355 7.839 494 HB3 ALA 73 3HB ALA 73 -2.680 -16.401 8.214 495 H ALA 74 H ALA 74 -0.443 -13.904 6.778 496 HA ALA 74 HA ALA 74 -1.906 -12.046 8.157 497 HB1 ALA 74 1HB ALA 74 0.085 -10.526 7.554 498 HB2 ALA 74 2HB ALA 74 0.503 -12.110 8.294 499 HB3 ALA 74 3HB ALA 74 0.705 -11.954 6.591 500 H ILE 75 H ILE 75 -1.176 -12.339 4.673 501 HA ILE 75 HA ILE 75 -2.214 -9.842 3.871 502 HB ILE 75 HB ILE 75 -0.728 -11.813 2.745 503 HG12 ILE 75 2HG1 ILE 75 -0.791 -10.645 0.555 504 HG13 ILE 75 3HG1 ILE 75 -1.665 -9.362 1.282 505 HG21 ILE 75 1HG2 ILE 75 -1.846 -12.559 0.552 506 HG22 ILE 75 2HG2 ILE 75 -2.628 -13.177 2.060 507 HG23 ILE 75 3HG2 ILE 75 -3.355 -11.876 1.240 508 HD11 ILE 75 3HD1 ILE 75 0.483 -8.776 1.610 509 HD12 ILE 75 1HD1 ILE 75 0.001 -9.474 3.222 510 HD13 ILE 75 2HD1 ILE 75 1.037 -10.400 2.088 511 H LYS 76 H LYS 76 -3.798 -13.156 3.748 512 HA LYS 76 HA LYS 76 -6.409 -12.372 3.108 513 HB2 LYS 76 2HB LYS 76 -5.489 -14.698 3.532 514 HB3 LYS 76 3HB LYS 76 -6.005 -14.514 5.171 515 HG2 LYS 76 2HG LYS 76 -8.315 -13.876 4.301 516 HG3 LYS 76 3HG LYS 76 -7.754 -14.331 2.708 517 HD2 LYS 76 2HD LYS 76 -7.128 -16.616 3.619 518 HD3 LYS 76 3HD LYS 76 -7.723 -16.177 5.187 519 HE2 LYS 76 2HE LYS 76 -9.785 -15.323 3.421 520 HE3 LYS 76 3HE LYS 76 -9.198 -16.794 2.680 521 HZ1 LYS 76 3HZ LYS 76 -9.798 -18.010 4.634 522 HZ2 LYS 76 1HZ LYS 76 -9.860 -16.711 5.602 523 HZ3 LYS 76 2HZ LYS 76 -10.985 -16.881 4.509 524 H ALA 77 H ALA 77 -5.090 -12.339 6.520 525 HA ALA 77 HA ALA 77 -7.149 -11.113 7.833 526 HB1 ALA 77 1HB ALA 77 -4.963 -12.007 8.697 527 HB2 ALA 77 2HB ALA 77 -4.179 -10.575 8.241 528 HB3 ALA 77 3HB ALA 77 -5.593 -10.516 9.373 529 H ILE 78 H ILE 78 -4.659 -9.285 5.901 530 HA ILE 78 HA ILE 78 -6.237 -6.851 6.138 531 HB ILE 78 HB ILE 78 -4.727 -5.679 4.943 532 HG12 ILE 78 2HG1 ILE 78 -3.287 -8.314 4.392 533 HG13 ILE 78 3HG1 ILE 78 -4.070 -7.361 3.187 534 HG21 ILE 78 1HG2 ILE 78 -3.228 -7.525 6.710 535 HG22 ILE 78 2HG2 ILE 78 -2.955 -5.814 6.462 536 HG23 ILE 78 3HG2 ILE 78 -4.415 -6.320 7.345 537 HD11 ILE 78 3HD1 ILE 78 -1.643 -6.605 4.917 538 HD12 ILE 78 1HD1 ILE 78 -1.619 -6.897 3.118 539 HD13 ILE 78 2HD1 ILE 78 -2.337 -5.471 3.815 540 H ALA 79 H ALA 79 -6.106 -9.268 3.632 541 HA ALA 79 HA ALA 79 -7.249 -7.625 1.653 542 HB1 ALA 79 1HB ALA 79 -7.173 -9.901 0.743 543 HB2 ALA 79 2HB ALA 79 -7.678 -10.558 2.277 544 HB3 ALA 79 3HB ALA 79 -8.856 -9.774 1.320 545 H ALA 80 H ALA 80 -9.004 -9.075 4.280 546 HA ALA 80 HA ALA 80 -11.610 -7.872 3.708 547 HB1 ALA 80 1HB ALA 80 -12.198 -8.577 5.894 548 HB2 ALA 80 2HB ALA 80 -11.401 -9.782 4.891 549 HB3 ALA 80 3HB ALA 80 -10.528 -9.100 6.291 550 H ILE 81 H ILE 81 -8.859 -6.831 5.894 551 HA ILE 81 HA ILE 81 -10.319 -4.658 7.110 552 HB ILE 81 HB ILE 81 -7.914 -6.149 7.555 553 HG12 ILE 81 2HG1 ILE 81 -8.409 -3.608 8.960 554 HG13 ILE 81 3HG1 ILE 81 -9.667 -4.846 9.053 555 HG21 ILE 81 1HG2 ILE 81 -6.491 -4.566 6.117 556 HG22 ILE 81 2HG2 ILE 81 -7.005 -3.299 7.213 557 HG23 ILE 81 3HG2 ILE 81 -6.137 -4.664 7.786 558 HD11 ILE 81 3HD1 ILE 81 -6.890 -5.049 10.102 559 HD12 ILE 81 1HD1 ILE 81 -8.366 -5.310 10.882 560 HD13 ILE 81 2HD1 ILE 81 -7.932 -6.529 9.672 561 H ILE 82 H ILE 82 -8.337 -5.092 4.177 562 HA ILE 82 HA ILE 82 -7.844 -2.493 3.684 563 HB ILE 82 HB ILE 82 -8.099 -4.975 2.033 564 HG12 ILE 82 2HG1 ILE 82 -5.800 -3.024 2.321 565 HG13 ILE 82 3HG1 ILE 82 -6.086 -4.133 3.609 566 HG21 ILE 82 1HG2 ILE 82 -7.745 -2.325 0.679 567 HG22 ILE 82 2HG2 ILE 82 -7.546 -3.891 -0.120 568 HG23 ILE 82 3HG2 ILE 82 -9.058 -3.500 0.512 569 HD11 ILE 82 3HD1 ILE 82 -5.761 -6.095 1.872 570 HD12 ILE 82 1HD1 ILE 82 -5.489 -4.792 0.751 571 HD13 ILE 82 2HD1 ILE 82 -4.377 -4.982 2.113 572 H LYS 83 H LYS 83 -10.821 -4.261 3.248 573 HA LYS 83 HA LYS 83 -12.248 -2.571 1.545 574 HB2 LYS 83 2HB LYS 83 -12.828 -4.731 2.355 575 HB3 LYS 83 3HB LYS 83 -13.363 -4.100 3.858 576 HG2 LYS 83 2HG LYS 83 -14.814 -2.549 2.255 577 HG3 LYS 83 3HG LYS 83 -14.655 -3.794 1.134 578 HD2 LYS 83 2HD LYS 83 -15.553 -4.334 4.021 579 HD3 LYS 83 3HD LYS 83 -16.655 -3.674 2.787 580 HE2 LYS 83 2HE LYS 83 -16.593 -5.634 1.464 581 HE3 LYS 83 3HE LYS 83 -15.143 -6.207 2.353 582 HZ1 LYS 83 3HZ LYS 83 -17.150 -7.414 3.070 583 HZ2 LYS 83 1HZ LYS 83 -16.518 -6.531 4.315 584 HZ3 LYS 83 2HZ LYS 83 -17.851 -6.172 3.455 585 H ALA 84 H ALA 84 -11.329 -1.831 4.858 586 HA ALA 84 HA ALA 84 -12.965 0.275 5.807 587 HB1 ALA 84 1HB ALA 84 -9.981 0.009 5.618 588 HB2 ALA 84 2HB ALA 84 -10.875 1.087 6.791 589 HB3 ALA 84 3HB ALA 84 -10.965 -0.686 6.969 590 H GLY 85 H GLY 85 -10.505 0.524 3.221 591 HA2 GLY 85 2HA GLY 85 -11.787 3.070 2.584 592 HA3 GLY 85 3HA GLY 85 -10.188 3.167 3.247 593 H GLY 86 H GLY 86 -8.721 3.692 1.516 594 HA2 GLY 86 2HA GLY 86 -9.020 2.527 -1.039 595 HA3 GLY 86 3HA GLY 86 -7.653 3.393 -0.433 596 H HIS 87 H HIS 87 -6.134 2.475 0.654 597 HA HIS 87 HA HIS 87 -4.467 0.884 0.953 598 HB2 HIS 87 2HB HIS 87 -6.728 -0.878 1.881 599 HB3 HIS 87 3HB HIS 87 -5.098 -0.981 2.486 600 HD1 HIS 87 1HD HIS 87 -5.147 2.403 2.670 601 HD2 HIS 87 2HD HIS 87 -7.361 -0.641 4.522 602 HE1 HIS 87 1HE HIS 87 -6.118 3.439 4.815 603 HE2 HIS 87 2HE HIS 87 -7.710 1.661 5.808 604 HN1 NH2 88 HN1 NH2 88 -6.004 0.377 -1.867 605 HN2 NH2 88 HN2 NH2 88 -5.309 -1.173 -2.291 Start of MODEL 2 1 H1 ACE 1 H1 ACE 1 -2.070 6.491 11.495 2 H2 ACE 1 H2 ACE 1 -3.610 6.945 12.329 3 H3 ACE 1 H3 ACE 1 -3.560 6.162 10.680 4 H ALA 2 H ALA 2 -2.381 9.479 9.432 5 HA ALA 2 HA ALA 2 -1.305 6.777 9.205 6 HB1 ALA 2 1HB ALA 2 -2.150 6.830 6.800 7 HB2 ALA 2 2HB ALA 2 -3.465 6.660 7.853 8 HB3 ALA 2 3HB ALA 2 -2.973 8.314 7.147 9 H LYS 3 H LYS 3 -0.042 9.334 9.946 10 HA LYS 3 HA LYS 3 1.088 10.394 7.544 11 HB2 LYS 3 2HB LYS 3 0.716 11.741 9.586 12 HB3 LYS 3 3HB LYS 3 1.997 10.837 10.388 13 HG2 LYS 3 2HG LYS 3 3.693 11.724 9.021 14 HG3 LYS 3 3HG LYS 3 2.490 12.393 7.874 15 HD2 LYS 3 2HD LYS 3 3.532 14.102 9.166 16 HD3 LYS 3 3HD LYS 3 1.820 14.125 9.249 17 HE2 LYS 3 2HE LYS 3 1.977 13.116 11.571 18 HE3 LYS 3 3HE LYS 3 3.722 13.057 11.327 19 HZ1 LYS 3 3HZ LYS 3 3.206 15.072 12.535 20 HZ2 LYS 3 1HZ LYS 3 3.630 15.452 11.047 21 HZ3 LYS 3 2HZ LYS 3 2.081 15.578 11.386 22 H ALA 4 H ALA 4 2.551 8.298 9.991 23 HA ALA 4 HA ALA 4 4.933 7.724 8.321 24 HB1 ALA 4 1HB ALA 4 5.051 5.827 9.839 25 HB2 ALA 4 2HB ALA 4 4.953 7.336 10.731 26 HB3 ALA 4 3HB ALA 4 3.614 6.213 10.730 27 H ALA 5 H ALA 5 1.715 6.055 8.743 28 HA ALA 5 HA ALA 5 2.278 3.824 7.348 29 HB1 ALA 5 1HB ALA 5 -0.194 3.696 7.220 30 HB2 ALA 5 2HB ALA 5 0.485 4.091 8.803 31 HB3 ALA 5 3HB ALA 5 -0.237 5.377 7.727 32 H ALA 6 H ALA 6 1.553 6.952 5.764 33 HA ALA 6 HA ALA 6 0.786 6.325 3.312 34 HB1 ALA 6 1HB ALA 6 3.072 8.267 4.040 35 HB2 ALA 6 2HB ALA 6 2.033 8.405 2.708 36 HB3 ALA 6 3HB ALA 6 1.294 8.555 4.308 37 H ALA 7 H ALA 7 3.979 5.666 4.620 38 HA ALA 7 HA ALA 7 5.082 5.103 1.945 39 HB1 ALA 7 1HB ALA 7 6.114 4.529 4.724 40 HB2 ALA 7 2HB ALA 7 7.062 4.305 3.178 41 HB3 ALA 7 3HB ALA 7 6.579 5.896 3.748 42 H ALA 8 H ALA 8 4.246 3.003 4.694 43 HA ALA 8 HA ALA 8 4.369 0.483 3.352 44 HB1 ALA 8 1HB ALA 8 2.901 1.439 5.850 45 HB2 ALA 8 2HB ALA 8 2.656 -0.075 5.156 46 HB3 ALA 8 3HB ALA 8 4.271 0.335 5.682 47 H ILE 9 H ILE 9 1.562 2.498 3.918 48 HA ILE 9 HA ILE 9 -0.141 0.588 2.760 49 HB ILE 9 HB ILE 9 -0.610 3.382 3.875 50 HG12 ILE 9 2HG1 ILE 9 -0.235 1.977 5.556 51 HG13 ILE 9 3HG1 ILE 9 -1.846 2.482 5.610 52 HG21 ILE 9 1HG2 ILE 9 -2.992 3.242 3.548 53 HG22 ILE 9 2HG2 ILE 9 -2.249 3.179 2.150 54 HG23 ILE 9 3HG2 ILE 9 -2.895 1.587 2.866 55 HD11 ILE 9 3HD1 ILE 9 -1.518 0.123 6.239 56 HD12 ILE 9 1HD1 ILE 9 -2.487 0.282 4.688 57 HD13 ILE 9 2HD1 ILE 9 -0.786 -0.293 4.684 58 H LYS 10 H LYS 10 1.196 3.674 1.252 59 HA LYS 10 HA LYS 10 -0.501 3.259 -1.111 60 HB2 LYS 10 2HB LYS 10 1.911 4.971 -0.680 61 HB3 LYS 10 3HB LYS 10 0.743 5.082 -1.999 62 HG2 LYS 10 2HG LYS 10 -0.978 5.936 -0.672 63 HG3 LYS 10 3HG LYS 10 -0.088 5.599 0.784 64 HD2 LYS 10 2HD LYS 10 1.538 7.364 0.215 65 HD3 LYS 10 3HD LYS 10 1.048 7.450 -1.478 66 HE2 LYS 10 2HE LYS 10 -0.903 8.526 -1.161 67 HE3 LYS 10 3HE LYS 10 -0.938 8.063 0.527 68 HZ1 LYS 10 3HZ LYS 10 -0.230 10.495 -0.353 69 HZ2 LYS 10 1HZ LYS 10 0.596 9.757 0.979 70 HZ3 LYS 10 2HZ LYS 10 1.202 9.734 -0.501 71 H ALA 11 H ALA 11 2.670 2.100 0.000 72 HA ALA 11 HA ALA 11 3.651 1.312 -2.596 73 HB1 ALA 11 1HB ALA 11 4.369 0.069 0.012 74 HB2 ALA 11 2HB ALA 11 5.276 0.062 -1.487 75 HB3 ALA 11 3HB ALA 11 4.939 1.606 -0.809 76 H ILE 12 H ILE 12 1.816 -0.250 -0.150 77 HA ILE 12 HA ILE 12 1.286 -2.645 -1.763 78 HB ILE 12 HB ILE 12 0.024 -3.610 -0.140 79 HG12 ILE 12 2HG1 ILE 12 0.268 -1.115 1.556 80 HG13 ILE 12 3HG1 ILE 12 -1.219 -1.685 0.812 81 HG21 ILE 12 1HG2 ILE 12 2.341 -2.469 1.504 82 HG22 ILE 12 2HG2 ILE 12 1.593 -4.151 1.413 83 HG23 ILE 12 3HG2 ILE 12 2.613 -3.534 0.157 84 HD11 ILE 12 3HD1 ILE 12 -1.444 -2.322 2.868 85 HD12 ILE 12 1HD1 ILE 12 -1.093 -3.811 2.132 86 HD13 ILE 12 2HD1 ILE 12 0.212 -3.057 3.114 87 H ALA 13 H ALA 13 -0.861 0.070 -0.829 88 HA ALA 13 HA ALA 13 -3.189 -0.787 -2.136 89 HB1 ALA 13 1HB ALA 13 -2.869 1.443 -0.952 90 HB2 ALA 13 2HB ALA 13 -2.070 1.995 -2.540 91 HB3 ALA 13 3HB ALA 13 -3.674 1.457 -2.595 92 H ALA 14 H ALA 14 -0.428 0.618 -3.936 93 HA ALA 14 HA ALA 14 -1.545 0.198 -6.507 94 HB1 ALA 14 1HB ALA 14 0.690 1.040 -7.217 95 HB2 ALA 14 2HB ALA 14 0.166 1.826 -5.744 96 HB3 ALA 14 3HB ALA 14 1.313 0.442 -5.673 97 H ILE 15 H ILE 15 0.658 -1.831 -4.469 98 HA ILE 15 HA ILE 15 0.941 -3.894 -6.429 99 HB ILE 15 HB ILE 15 1.797 -3.108 -3.801 100 HG12 ILE 15 2HG1 ILE 15 3.119 -5.224 -5.477 101 HG13 ILE 15 3HG1 ILE 15 3.132 -3.661 -6.150 102 HG21 ILE 15 1HG2 ILE 15 0.636 -5.010 -2.818 103 HG22 ILE 15 2HG2 ILE 15 1.472 -6.050 -3.818 104 HG23 ILE 15 3HG2 ILE 15 2.366 -4.952 -2.597 105 HD11 ILE 15 3HD1 ILE 15 5.120 -3.968 -4.955 106 HD12 ILE 15 1HD1 ILE 15 4.185 -2.819 -3.903 107 HD13 ILE 15 2HD1 ILE 15 4.276 -4.548 -3.505 108 H ILE 16 H ILE 16 -1.427 -3.477 -4.081 109 HA ILE 16 HA ILE 16 -1.924 -6.076 -3.630 110 HB ILE 16 HB ILE 16 -3.263 -3.532 -2.996 111 HG12 ILE 16 2HG1 ILE 16 -2.519 -6.026 -1.470 112 HG13 ILE 16 3HG1 ILE 16 -1.491 -4.630 -1.656 113 HG21 ILE 16 1HG2 ILE 16 -5.017 -5.975 -2.311 114 HG22 ILE 16 2HG2 ILE 16 -5.211 -4.264 -1.913 115 HG23 ILE 16 3HG2 ILE 16 -5.322 -4.818 -3.575 116 HD11 ILE 16 3HD1 ILE 16 -2.681 -3.338 -0.255 117 HD12 ILE 16 1HD1 ILE 16 -4.035 -4.574 0.028 118 HD13 ILE 16 2HD1 ILE 16 -2.281 -4.779 0.517 119 H LYS 17 H LYS 17 -3.126 -4.395 -6.193 120 HA LYS 17 HA LYS 17 -5.340 -5.941 -7.136 121 HB2 LYS 17 2HB LYS 17 -3.129 -4.239 -8.377 122 HB3 LYS 17 3HB LYS 17 -4.152 -4.996 -9.515 123 HG2 LYS 17 2HG LYS 17 -5.144 -3.160 -7.293 124 HG3 LYS 17 3HG LYS 17 -4.760 -2.786 -9.005 125 HD2 LYS 17 2HD LYS 17 -6.548 -4.339 -9.715 126 HD3 LYS 17 3HD LYS 17 -6.939 -4.708 -8.096 127 HE2 LYS 17 2HE LYS 17 -7.783 -2.367 -7.796 128 HE3 LYS 17 3HE LYS 17 -6.879 -1.842 -9.211 129 HZ1 LYS 17 3HZ LYS 17 -9.259 -3.642 -9.316 130 HZ2 LYS 17 1HZ LYS 17 -9.260 -2.073 -9.623 131 HZ3 LYS 17 2HZ LYS 17 -8.402 -3.155 -10.570 132 H ALA 18 H ALA 18 -1.928 -6.835 -7.043 133 HA ALA 18 HA ALA 18 -1.757 -8.395 -9.236 134 HB1 ALA 18 1HB ALA 18 -0.670 -8.932 -6.479 135 HB2 ALA 18 2HB ALA 18 0.157 -9.477 -7.973 136 HB3 ALA 18 3HB ALA 18 0.011 -7.742 -7.554 137 H GLY 19 H GLY 19 -2.213 -9.745 -5.951 138 HA2 GLY 19 2HA GLY 19 -3.268 -12.232 -7.230 139 HA3 GLY 19 3HA GLY 19 -2.062 -12.167 -5.936 140 H GLY 20 H GLY 20 -5.168 -10.473 -6.257 141 HA2 GLY 20 2HA GLY 20 -7.272 -10.686 -5.065 142 HA3 GLY 20 3HA GLY 20 -6.663 -12.240 -4.640 143 H HIS 21 H HIS 21 -4.649 -9.519 -3.783 144 HA HIS 21 HA HIS 21 -4.663 -10.282 -1.124 145 HB2 HIS 21 2HB HIS 21 -3.634 -7.688 -2.424 146 HB3 HIS 21 3HB HIS 21 -3.167 -8.303 -0.814 147 HD1 HIS 21 1HD HIS 21 -2.766 -11.506 -1.744 148 HD2 HIS 21 2HD HIS 21 -1.496 -8.086 -3.796 149 HE1 HIS 21 1HE HIS 21 -0.679 -12.133 -3.018 150 HE2 HIS 21 2HE HIS 21 0.213 -10.030 -4.136 151 HN1 NH2 22 HN1 NH2 22 -6.789 -8.117 -2.734 152 H1 ACE 23 H1 ACE 23 -1.488 -16.749 -5.103 153 H2 ACE 23 H2 ACE 23 -2.342 -15.356 -4.631 154 H3 ACE 23 H3 ACE 23 -0.988 -15.150 -5.854 155 H ALA 24 H ALA 24 -0.166 -17.450 -3.824 156 HA ALA 24 HA ALA 24 0.791 -16.054 -1.504 157 HB1 ALA 24 1HB ALA 24 1.813 -18.076 -0.844 158 HB2 ALA 24 2HB ALA 24 0.190 -18.385 -1.284 159 HB3 ALA 24 3HB ALA 24 1.428 -18.905 -2.445 160 H LYS 25 H LYS 25 2.598 -16.853 -4.519 161 HA LYS 25 HA LYS 25 4.975 -15.595 -3.294 162 HB2 LYS 25 2HB LYS 25 6.042 -16.200 -5.227 163 HB3 LYS 25 3HB LYS 25 4.873 -17.477 -4.932 164 HG2 LYS 25 2HG LYS 25 3.744 -17.031 -6.931 165 HG3 LYS 25 3HG LYS 25 4.347 -15.343 -7.020 166 HD2 LYS 25 2HD LYS 25 5.327 -16.838 -8.697 167 HD3 LYS 25 3HD LYS 25 6.370 -15.769 -7.807 168 HE2 LYS 25 2HE LYS 25 7.233 -17.588 -6.457 169 HE3 LYS 25 3HE LYS 25 5.826 -18.588 -6.918 170 HZ1 LYS 25 3HZ LYS 25 7.913 -19.181 -7.973 171 HZ2 LYS 25 1HZ LYS 25 6.676 -18.934 -9.017 172 HZ3 LYS 25 2HZ LYS 25 7.816 -17.757 -8.861 173 H ALA 26 H ALA 26 2.193 -14.473 -5.243 174 HA ALA 26 HA ALA 26 3.151 -11.847 -5.651 175 HB1 ALA 26 1HB ALA 26 1.298 -12.525 -6.880 176 HB2 ALA 26 2HB ALA 26 0.312 -12.783 -5.369 177 HB3 ALA 26 3HB ALA 26 0.842 -11.216 -5.735 178 H ALA 27 H ALA 27 1.295 -13.283 -2.769 179 HA ALA 27 HA ALA 27 1.335 -11.087 -1.242 180 HB1 ALA 27 1HB ALA 27 1.325 -14.026 -0.432 181 HB2 ALA 27 2HB ALA 27 1.226 -12.515 0.599 182 HB3 ALA 27 3HB ALA 27 0.067 -12.751 -0.602 183 H ALA 28 H ALA 28 3.929 -13.741 -1.370 184 HA ALA 28 HA ALA 28 5.536 -12.683 0.735 185 HB1 ALA 28 1HB ALA 28 5.754 -15.018 -0.192 186 HB2 ALA 28 2HB ALA 28 6.233 -14.363 -1.773 187 HB3 ALA 28 3HB ALA 28 7.207 -14.024 -0.405 188 H ALA 29 H ALA 29 5.620 -12.140 -2.891 189 HA ALA 29 HA ALA 29 7.897 -10.544 -2.938 190 HB1 ALA 29 1HB ALA 29 6.967 -11.045 -5.081 191 HB2 ALA 29 2HB ALA 29 5.330 -10.646 -4.645 192 HB3 ALA 29 3HB ALA 29 6.488 -9.358 -4.818 193 H ALA 30 H ALA 30 4.414 -9.560 -2.250 194 HA ALA 30 HA ALA 30 5.061 -6.761 -2.139 195 HB1 ALA 30 1HB ALA 30 2.865 -7.709 -2.651 196 HB2 ALA 30 2HB ALA 30 2.733 -8.391 -1.036 197 HB3 ALA 30 3HB ALA 30 2.812 -6.581 -1.344 198 H ILE 31 H ILE 31 4.866 -9.335 0.219 199 HA ILE 31 HA ILE 31 5.090 -7.738 2.508 200 HB ILE 31 HB ILE 31 5.613 -10.668 1.864 201 HG12 ILE 31 2HG1 ILE 31 3.368 -9.796 1.778 202 HG13 ILE 31 3HG1 ILE 31 3.570 -11.118 2.920 203 HG21 ILE 31 1HG2 ILE 31 7.049 -10.507 3.739 204 HG22 ILE 31 2HG2 ILE 31 5.934 -9.592 4.655 205 HG23 ILE 31 3HG2 ILE 31 5.585 -11.373 4.152 206 HD11 ILE 31 3HD1 ILE 31 3.157 -8.231 3.596 207 HD12 ILE 31 1HD1 ILE 31 2.019 -9.592 3.854 208 HD13 ILE 31 2HD1 ILE 31 3.424 -9.604 4.806 209 H LYS 32 H LYS 32 7.326 -9.376 0.550 210 HA LYS 32 HA LYS 32 9.793 -8.412 1.887 211 HB2 LYS 32 2HB LYS 32 9.367 -9.706 -0.795 212 HB3 LYS 32 3HB LYS 32 10.951 -9.257 -0.266 213 HG2 LYS 32 2HG LYS 32 10.737 -10.726 1.715 214 HG3 LYS 32 3HG LYS 32 9.145 -11.257 1.230 215 HD2 LYS 32 2HD LYS 32 10.004 -12.062 -0.927 216 HD3 LYS 32 3HD LYS 32 11.611 -11.625 -0.482 217 HE2 LYS 32 2HE LYS 32 11.332 -13.182 1.571 218 HE3 LYS 32 3HE LYS 32 9.743 -13.572 1.009 219 HZ1 LYS 32 3HZ LYS 32 12.359 -14.048 -0.373 220 HZ2 LYS 32 1HZ LYS 32 11.402 -15.165 0.228 221 HZ3 LYS 32 2HZ LYS 32 10.870 -14.503 -1.065 222 H ALA 33 H ALA 33 7.761 -6.940 -0.478 223 HA ALA 33 HA ALA 33 9.723 -4.885 -1.114 224 HB1 ALA 33 1HB ALA 33 8.456 -5.530 -3.009 225 HB2 ALA 33 2HB ALA 33 6.887 -5.291 -2.075 226 HB3 ALA 33 3HB ALA 33 8.005 -3.994 -2.622 227 H ILE 34 H ILE 34 7.403 -5.429 1.440 228 HA ILE 34 HA ILE 34 7.737 -2.616 2.250 229 HB ILE 34 HB ILE 34 5.896 -2.854 3.558 230 HG12 ILE 34 2HG1 ILE 34 5.383 -5.647 2.792 231 HG13 ILE 34 3HG1 ILE 34 6.090 -5.224 4.309 232 HG21 ILE 34 1HG2 ILE 34 5.039 -4.130 1.008 233 HG22 ILE 34 2HG2 ILE 34 4.359 -2.731 1.900 234 HG23 ILE 34 3HG2 ILE 34 5.923 -2.589 0.911 235 HD11 ILE 34 3HD1 ILE 34 3.715 -5.328 4.653 236 HD12 ILE 34 1HD1 ILE 34 4.130 -3.573 4.651 237 HD13 ILE 34 2HD1 ILE 34 3.351 -4.424 3.266 238 H ALA 35 H ALA 35 8.644 -5.766 3.304 239 HA ALA 35 HA ALA 35 9.294 -5.494 5.881 240 HB1 ALA 35 1HB ALA 35 11.546 -6.761 5.406 241 HB2 ALA 35 2HB ALA 35 9.961 -7.571 4.941 242 HB3 ALA 35 3HB ALA 35 10.752 -6.857 3.697 243 H ALA 36 H ALA 36 11.338 -3.700 3.754 244 HA ALA 36 HA ALA 36 12.769 -2.778 6.134 245 HB1 ALA 36 1HB ALA 36 14.224 -1.571 4.390 246 HB2 ALA 36 2HB ALA 36 13.772 -3.295 3.786 247 HB3 ALA 36 3HB ALA 36 12.971 -1.938 3.229 248 H ILE 37 H ILE 37 10.229 -1.528 4.027 249 HA ILE 37 HA ILE 37 9.975 1.113 4.918 250 HB ILE 37 HB ILE 37 8.734 -0.783 3.212 251 HG12 ILE 37 2HG1 ILE 37 8.073 2.102 3.170 252 HG13 ILE 37 3HG1 ILE 37 9.670 1.520 2.868 253 HG21 ILE 37 1HG2 ILE 37 6.465 -0.491 3.186 254 HG22 ILE 37 2HG2 ILE 37 6.956 -1.149 4.674 255 HG23 ILE 37 3HG2 ILE 37 6.546 0.572 4.718 256 HD11 ILE 37 3HD1 ILE 37 7.009 0.871 1.485 257 HD12 ILE 37 1HD1 ILE 37 8.298 1.759 0.789 258 HD13 ILE 37 2HD1 ILE 37 8.491 -0.065 1.076 259 H ILE 38 H ILE 38 8.959 -1.949 6.254 260 HA ILE 38 HA ILE 38 7.137 -1.063 8.224 261 HB ILE 38 HB ILE 38 8.986 -3.487 8.215 262 HG12 ILE 38 2HG1 ILE 38 7.632 -4.106 6.514 263 HG13 ILE 38 3HG1 ILE 38 6.687 -4.735 7.853 264 HG21 ILE 38 1HG2 ILE 38 7.846 -4.542 9.998 265 HG22 ILE 38 2HG2 ILE 38 8.674 -3.105 10.356 266 HG23 ILE 38 3HG2 ILE 38 6.861 -3.102 10.203 267 HD11 ILE 38 3HD1 ILE 38 6.110 -2.296 6.220 268 HD12 ILE 38 1HD1 ILE 38 5.114 -3.683 6.512 269 HD13 ILE 38 2HD1 ILE 38 5.338 -2.561 7.841 270 H LYS 39 H LYS 39 10.445 -1.163 8.355 271 HA LYS 39 HA LYS 39 11.119 -0.379 11.025 272 HB2 LYS 39 2HB LYS 39 12.595 -0.654 8.876 273 HB3 LYS 39 3HB LYS 39 12.438 1.060 8.723 274 HG2 LYS 39 2HG LYS 39 13.324 1.402 10.952 275 HG3 LYS 39 3HG LYS 39 13.352 -0.282 11.315 276 HD2 LYS 39 2HD LYS 39 15.129 -0.625 9.658 277 HD3 LYS 39 3HD LYS 39 15.214 1.025 9.196 278 HE2 LYS 39 2HE LYS 39 15.649 0.099 12.044 279 HE3 LYS 39 3HE LYS 39 16.894 0.337 10.848 280 HZ1 LYS 39 3HZ LYS 39 15.313 2.192 12.347 281 HZ2 LYS 39 1HZ LYS 39 16.717 2.521 11.872 282 HZ3 LYS 39 2HZ LYS 39 15.468 2.734 10.816 283 H ALA 40 H ALA 40 9.341 1.646 8.673 284 HA ALA 40 HA ALA 40 10.333 4.046 9.634 285 HB1 ALA 40 1HB ALA 40 8.608 5.049 8.414 286 HB2 ALA 40 2HB ALA 40 9.436 3.821 7.377 287 HB3 ALA 40 3HB ALA 40 7.798 3.598 7.981 288 H GLY 41 H GLY 41 8.417 2.135 11.304 289 HA2 GLY 41 2HA GLY 41 7.426 4.172 13.229 290 HA3 GLY 41 3HA GLY 41 6.196 3.628 12.221 291 H GLY 42 H GLY 42 8.471 1.155 12.848 292 HA2 GLY 42 2HA GLY 42 8.199 -0.881 14.201 293 HA3 GLY 42 3HA GLY 42 7.215 0.067 15.144 294 H HIS 43 H HIS 43 6.460 -0.422 11.830 295 HA HIS 43 HA HIS 43 3.735 -0.785 12.160 296 HB2 HIS 43 2HB HIS 43 5.545 -1.313 9.749 297 HB3 HIS 43 3HB HIS 43 3.764 -1.096 9.752 298 HD1 HIS 43 1HD HIS 43 3.392 1.622 11.425 299 HD2 HIS 43 2HD HIS 43 6.557 0.940 8.647 300 HE1 HIS 43 1HE HIS 43 3.946 3.678 10.759 301 HE2 HIS 43 2HE HIS 43 6.087 3.447 9.181 302 HN1 NH2 44 HN1 NH2 44 5.828 -3.192 12.684 303 H1 ACE 45 H1 ACE 45 -1.498 6.907 4.356 304 H2 ACE 45 H2 ACE 45 -2.527 5.825 3.537 305 H3 ACE 45 H3 ACE 45 -1.828 7.221 2.631 306 H ALA 46 H ALA 46 -4.610 6.121 3.262 307 HA ALA 46 HA ALA 46 -5.841 8.489 4.523 308 HB1 ALA 46 1HB ALA 46 -7.164 7.568 2.804 309 HB2 ALA 46 2HB ALA 46 -6.850 5.987 3.201 310 HB3 ALA 46 3HB ALA 46 -7.954 6.844 4.250 311 H LYS 47 H LYS 47 -6.753 8.662 6.667 312 HA LYS 47 HA LYS 47 -5.139 7.504 8.485 313 HB2 LYS 47 2HB LYS 47 -7.784 9.063 8.761 314 HB3 LYS 47 3HB LYS 47 -6.733 8.686 10.150 315 HG2 LYS 47 2HG LYS 47 -4.760 9.707 8.894 316 HG3 LYS 47 3HG LYS 47 -6.033 10.262 7.752 317 HD2 LYS 47 2HD LYS 47 -7.134 11.579 9.408 318 HD3 LYS 47 3HD LYS 47 -6.383 10.869 10.764 319 HE2 LYS 47 2HE LYS 47 -4.088 11.765 9.940 320 HE3 LYS 47 3HE LYS 47 -5.026 12.251 8.429 321 HZ1 LYS 47 3HZ LYS 47 -6.199 13.920 9.487 322 HZ2 LYS 47 1HZ LYS 47 -5.943 13.229 10.899 323 HZ3 LYS 47 2HZ LYS 47 -4.695 13.997 10.093 324 H ALA 48 H ALA 48 -7.820 6.002 7.430 325 HA ALA 48 HA ALA 48 -8.434 4.340 9.662 326 HB1 ALA 48 1HB ALA 48 -8.737 3.652 6.659 327 HB2 ALA 48 2HB ALA 48 -9.499 2.851 8.008 328 HB3 ALA 48 3HB ALA 48 -9.876 4.567 7.670 329 H ALA 49 H ALA 49 -5.783 4.260 7.639 330 HA ALA 49 HA ALA 49 -4.671 1.892 7.496 331 HB1 ALA 49 1HB ALA 49 -3.163 4.392 8.264 332 HB2 ALA 49 2HB ALA 49 -2.701 2.927 7.431 333 HB3 ALA 49 3HB ALA 49 -3.858 4.097 6.676 334 H ALA 50 H ALA 50 -4.650 3.723 10.554 335 HA ALA 50 HA ALA 50 -2.704 2.278 12.066 336 HB1 ALA 50 1HB ALA 50 -3.911 3.082 13.991 337 HB2 ALA 50 2HB ALA 50 -3.778 4.306 12.723 338 HB3 ALA 50 3HB ALA 50 -5.339 3.436 13.032 339 H ALA 51 H ALA 51 -6.073 1.386 11.508 340 HA ALA 51 HA ALA 51 -6.255 -0.886 13.310 341 HB1 ALA 51 1HB ALA 51 -8.171 0.483 12.334 342 HB2 ALA 51 2HB ALA 51 -7.830 -0.405 10.804 343 HB3 ALA 51 3HB ALA 51 -8.432 -1.188 12.263 344 H ALA 52 H ALA 52 -5.172 -0.573 9.911 345 HA ALA 52 HA ALA 52 -4.860 -3.523 9.706 346 HB1 ALA 52 1HB ALA 52 -3.622 -1.205 7.888 347 HB2 ALA 52 2HB ALA 52 -3.760 -2.913 7.566 348 HB3 ALA 52 3HB ALA 52 -5.135 -1.775 7.511 349 H ILE 53 H ILE 53 -2.760 -0.835 9.831 350 HA ILE 53 HA ILE 53 -0.453 -2.322 10.282 351 HB ILE 53 HB ILE 53 -1.161 0.392 11.389 352 HG12 ILE 53 2HG1 ILE 53 -1.199 0.419 8.956 353 HG13 ILE 53 3HG1 ILE 53 0.166 1.320 9.484 354 HG21 ILE 53 1HG2 ILE 53 1.344 -0.996 11.685 355 HG22 ILE 53 2HG2 ILE 53 1.400 0.753 11.263 356 HG23 ILE 53 3HG2 ILE 53 0.505 0.277 12.652 357 HD11 ILE 53 3HD1 ILE 53 1.532 -1.006 8.955 358 HD12 ILE 53 1HD1 ILE 53 0.061 -1.334 8.018 359 HD13 ILE 53 2HD1 ILE 53 0.940 0.020 7.654 360 H LYS 54 H LYS 54 -2.310 -1.153 13.202 361 HA LYS 54 HA LYS 54 -0.625 -2.433 14.887 362 HB2 LYS 54 2HB LYS 54 -3.458 -1.755 15.302 363 HB3 LYS 54 3HB LYS 54 -2.347 -2.440 16.540 364 HG2 LYS 54 2HG LYS 54 -1.049 -0.632 16.743 365 HG3 LYS 54 3HG LYS 54 -1.567 0.125 15.299 366 HD2 LYS 54 2HD LYS 54 -3.382 -0.586 17.719 367 HD3 LYS 54 3HD LYS 54 -2.702 1.023 17.496 368 HE2 LYS 54 2HE LYS 54 -3.788 0.939 15.127 369 HE3 LYS 54 3HE LYS 54 -4.858 -0.272 15.854 370 HZ1 LYS 54 3HZ LYS 54 -4.596 2.445 16.819 371 HZ2 LYS 54 1HZ LYS 54 -5.881 1.716 16.098 372 HZ3 LYS 54 2HZ LYS 54 -5.418 1.295 17.592 373 H ALA 55 H ALA 55 -2.638 -4.103 12.714 374 HA ALA 55 HA ALA 55 -3.187 -6.476 14.329 375 HB1 ALA 55 1HB ALA 55 -3.813 -6.310 11.358 376 HB2 ALA 55 2HB ALA 55 -4.656 -7.100 12.685 377 HB3 ALA 55 3HB ALA 55 -4.760 -5.411 12.590 378 H ILE 56 H ILE 56 -1.546 -5.552 11.355 379 HA ILE 56 HA ILE 56 -0.290 -8.081 11.111 380 HB ILE 56 HB ILE 56 1.272 -6.985 9.526 381 HG12 ILE 56 2HG1 ILE 56 -0.816 -4.751 9.649 382 HG13 ILE 56 3HG1 ILE 56 0.807 -4.626 10.352 383 HG21 ILE 56 1HG2 ILE 56 -1.640 -6.897 8.872 384 HG22 ILE 56 2HG2 ILE 56 -0.451 -7.001 7.691 385 HG23 ILE 56 3HG2 ILE 56 -0.616 -8.411 8.638 386 HD11 ILE 56 3HD1 ILE 56 0.039 -4.405 7.561 387 HD12 ILE 56 1HD1 ILE 56 1.294 -3.666 8.378 388 HD13 ILE 56 2HD1 ILE 56 1.651 -5.276 7.886 389 H ALA 57 H ALA 57 0.576 -5.205 12.833 390 HA ALA 57 HA ALA 57 3.326 -5.399 13.057 391 HB1 ALA 57 1HB ALA 57 3.138 -4.305 15.254 392 HB2 ALA 57 2HB ALA 57 2.204 -3.542 13.900 393 HB3 ALA 57 3HB ALA 57 1.403 -4.599 15.123 394 H ALA 58 H ALA 58 1.338 -7.220 15.650 395 HA ALA 58 HA ALA 58 3.634 -8.658 16.233 396 HB1 ALA 58 1HB ALA 58 0.701 -9.085 16.875 397 HB2 ALA 58 2HB ALA 58 2.107 -9.949 17.538 398 HB3 ALA 58 3HB ALA 58 2.092 -8.238 17.810 399 H ILE 59 H ILE 59 1.449 -9.146 13.701 400 HA ILE 59 HA ILE 59 1.837 -11.884 13.047 401 HB ILE 59 HB ILE 59 0.174 -9.686 12.208 402 HG12 ILE 59 2HG1 ILE 59 0.092 -12.689 12.546 403 HG13 ILE 59 3HG1 ILE 59 -0.300 -11.367 13.696 404 HG21 ILE 59 1HG2 ILE 59 1.374 -10.088 9.920 405 HG22 ILE 59 2HG2 ILE 59 0.700 -11.714 10.138 406 HG23 ILE 59 3HG2 ILE 59 -0.328 -10.321 9.973 407 HD11 ILE 59 3HD1 ILE 59 -2.029 -10.561 12.043 408 HD12 ILE 59 1HD1 ILE 59 -1.756 -12.102 11.182 409 HD13 ILE 59 2HD1 ILE 59 -2.388 -12.079 12.895 410 H ILE 60 H ILE 60 3.529 -9.143 12.288 411 HA ILE 60 HA ILE 60 5.211 -10.031 10.064 412 HB ILE 60 HB ILE 60 4.965 -7.796 12.048 413 HG12 ILE 60 2HG1 ILE 60 5.094 -7.995 9.002 414 HG13 ILE 60 3HG1 ILE 60 3.586 -8.216 9.787 415 HG21 ILE 60 1HG2 ILE 60 6.748 -6.529 10.880 416 HG22 ILE 60 2HG2 ILE 60 7.214 -7.764 12.099 417 HG23 ILE 60 3HG2 ILE 60 7.300 -8.062 10.260 418 HD11 ILE 60 3HD1 ILE 60 3.536 -6.009 9.207 419 HD12 ILE 60 1HD1 ILE 60 3.938 -5.806 10.847 420 HD13 ILE 60 2HD1 ILE 60 5.208 -5.617 9.635 421 H LYS 61 H LYS 61 5.610 -10.458 13.542 422 HA LYS 61 HA LYS 61 8.192 -11.517 13.411 423 HB2 LYS 61 2HB LYS 61 6.731 -11.027 15.439 424 HB3 LYS 61 3HB LYS 61 5.784 -12.406 15.015 425 HG2 LYS 61 2HG LYS 61 7.808 -13.858 15.510 426 HG3 LYS 61 3HG LYS 61 8.857 -12.438 15.615 427 HD2 LYS 61 2HD LYS 61 7.825 -11.623 17.611 428 HD3 LYS 61 3HD LYS 61 6.587 -12.919 17.417 429 HE2 LYS 61 2HE LYS 61 8.159 -13.548 19.195 430 HE3 LYS 61 3HE LYS 61 8.275 -14.634 17.794 431 HZ1 LYS 61 3HZ LYS 61 10.144 -13.184 17.030 432 HZ2 LYS 61 1HZ LYS 61 10.051 -12.521 18.529 433 HZ3 LYS 61 2HZ LYS 61 10.403 -14.157 18.355 434 H ALA 62 H ALA 62 5.419 -13.063 11.927 435 HA ALA 62 HA ALA 62 6.315 -15.648 11.995 436 HB1 ALA 62 1HB ALA 62 4.061 -15.064 11.464 437 HB2 ALA 62 2HB ALA 62 4.601 -14.415 9.863 438 HB3 ALA 62 3HB ALA 62 4.703 -16.059 10.132 439 H GLY 63 H GLY 63 7.789 -13.214 10.084 440 HA2 GLY 63 2HA GLY 63 9.717 -15.189 9.021 441 HA3 GLY 63 3HA GLY 63 8.621 -14.456 7.822 442 H GLY 64 H GLY 64 9.944 -13.175 6.728 443 HA2 GLY 64 2HA GLY 64 11.547 -11.090 8.031 444 HA3 GLY 64 3HA GLY 64 11.934 -11.761 6.407 445 H HIS 65 H HIS 65 8.839 -10.851 8.004 446 HA HIS 65 HA HIS 65 7.812 -9.442 5.706 447 HB2 HIS 65 2HB HIS 65 6.790 -9.686 8.546 448 HB3 HIS 65 3HB HIS 65 5.892 -9.140 7.199 449 HD1 HIS 65 1HD HIS 65 7.246 -11.927 5.577 450 HD2 HIS 65 2HD HIS 65 4.686 -11.548 8.852 451 HE1 HIS 65 1HE HIS 65 5.951 -14.068 5.678 452 HE2 HIS 65 2HE HIS 65 4.432 -13.927 7.786 453 HN1 NH2 66 HN1 NH2 66 6.428 -7.442 6.101 454 H1 ACE 67 H1 ACE 67 7.091 -16.902 4.856 455 H2 ACE 67 H2 ACE 67 6.756 -18.636 4.616 456 H3 ACE 67 H3 ACE 67 7.931 -17.644 3.578 457 H ALA 68 H ALA 68 6.131 -18.959 2.158 458 HA ALA 68 HA ALA 68 4.692 -16.882 0.705 459 HB1 ALA 68 1HB ALA 68 4.278 -19.925 0.589 460 HB2 ALA 68 2HB ALA 68 3.775 -18.723 -0.556 461 HB3 ALA 68 3HB ALA 68 5.526 -18.960 -0.266 462 H LYS 69 H LYS 69 3.825 -19.527 2.855 463 HA LYS 69 HA LYS 69 0.894 -18.733 2.818 464 HB2 LYS 69 2HB LYS 69 2.388 -20.921 4.308 465 HB3 LYS 69 3HB LYS 69 0.714 -20.533 4.622 466 HG2 LYS 69 2HG LYS 69 0.371 -20.933 2.046 467 HG3 LYS 69 3HG LYS 69 1.908 -21.760 2.050 468 HD2 LYS 69 2HD LYS 69 1.131 -23.151 4.029 469 HD3 LYS 69 3HD LYS 69 -0.491 -22.521 3.767 470 HE2 LYS 69 2HE LYS 69 1.112 -23.673 1.476 471 HE3 LYS 69 3HE LYS 69 0.020 -24.666 2.462 472 HZ1 LYS 69 3HZ LYS 69 -1.494 -24.165 1.179 473 HZ2 LYS 69 1HZ LYS 69 -1.595 -22.675 1.787 474 HZ3 LYS 69 2HZ LYS 69 -0.761 -22.931 0.415 475 H ALA 70 H ALA 70 3.608 -18.222 5.123 476 HA ALA 70 HA ALA 70 2.174 -16.772 7.023 477 HB1 ALA 70 1HB ALA 70 4.920 -16.033 6.267 478 HB2 ALA 70 2HB ALA 70 3.872 -15.793 7.743 479 HB3 ALA 70 3HB ALA 70 4.447 -17.458 7.222 480 H ALA 71 H ALA 71 3.494 -15.762 3.821 481 HA ALA 71 HA ALA 71 2.754 -13.011 3.971 482 HB1 ALA 71 1HB ALA 71 4.123 -14.251 2.188 483 HB2 ALA 71 2HB ALA 71 2.642 -14.565 1.385 484 HB3 ALA 71 3HB ALA 71 3.058 -12.866 1.860 485 H ALA 72 H ALA 72 0.824 -15.727 2.366 486 HA ALA 72 HA ALA 72 -1.591 -14.583 2.125 487 HB1 ALA 72 1HB ALA 72 -2.507 -16.734 2.023 488 HB2 ALA 72 2HB ALA 72 -0.833 -16.797 1.311 489 HB3 ALA 72 3HB ALA 72 -1.276 -17.363 2.954 490 H ALA 73 H ALA 73 -0.388 -16.086 5.244 491 HA ALA 73 HA ALA 73 -2.764 -15.564 6.819 492 HB1 ALA 73 1HB ALA 73 -1.198 -17.218 7.261 493 HB2 ALA 73 2HB ALA 73 0.050 -16.010 7.530 494 HB3 ALA 73 3HB ALA 73 -1.339 -16.038 8.665 495 H ALA 74 H ALA 74 0.139 -13.560 6.355 496 HA ALA 74 HA ALA 74 -0.949 -11.469 7.969 497 HB1 ALA 74 1HB ALA 74 0.948 -10.898 5.690 498 HB2 ALA 74 2HB ALA 74 0.435 -9.921 7.123 499 HB3 ALA 74 3HB ALA 74 1.282 -11.387 7.432 500 H ILE 75 H ILE 75 -0.954 -11.659 4.517 501 HA ILE 75 HA ILE 75 -2.788 -9.708 3.813 502 HB ILE 75 HB ILE 75 -2.491 -12.182 2.111 503 HG12 ILE 75 2HG1 ILE 75 -0.291 -11.282 2.384 504 HG13 ILE 75 3HG1 ILE 75 -0.978 -10.730 0.867 505 HG21 ILE 75 1HG2 ILE 75 -2.978 -10.382 0.488 506 HG22 ILE 75 2HG2 ILE 75 -4.356 -11.085 1.511 507 HG23 ILE 75 3HG2 ILE 75 -3.550 -9.449 1.780 508 HD11 ILE 75 3HD1 ILE 75 -0.534 -8.999 3.317 509 HD12 ILE 75 1HD1 ILE 75 0.525 -9.177 1.958 510 HD13 ILE 75 2HD1 ILE 75 -1.034 -8.515 1.556 511 H LYS 76 H LYS 76 -3.949 -13.035 4.502 512 HA LYS 76 HA LYS 76 -6.649 -12.148 4.222 513 HB2 LYS 76 2HB LYS 76 -7.245 -14.354 4.980 514 HB3 LYS 76 3HB LYS 76 -5.636 -14.472 4.172 515 HG2 LYS 76 2HG LYS 76 -4.546 -14.278 6.439 516 HG3 LYS 76 3HG LYS 76 -6.120 -14.460 7.139 517 HD2 LYS 76 2HD LYS 76 -6.265 -16.549 5.378 518 HD3 LYS 76 3HD LYS 76 -4.496 -16.419 5.346 519 HE2 LYS 76 2HE LYS 76 -4.140 -17.047 7.481 520 HE3 LYS 76 3HE LYS 76 -5.673 -16.429 8.050 521 HZ1 LYS 76 3HZ LYS 76 -6.725 -18.310 6.643 522 HZ2 LYS 76 1HZ LYS 76 -5.232 -18.879 6.388 523 HZ3 LYS 76 2HZ LYS 76 -5.702 -18.841 7.851 524 H ALA 77 H ALA 77 -4.463 -11.548 6.793 525 HA ALA 77 HA ALA 77 -6.545 -11.155 8.820 526 HB1 ALA 77 1HB ALA 77 -4.824 -10.449 10.237 527 HB2 ALA 77 2HB ALA 77 -4.078 -11.747 9.218 528 HB3 ALA 77 3HB ALA 77 -3.818 -10.019 8.870 529 H ILE 78 H ILE 78 -5.217 -9.229 6.096 530 HA ILE 78 HA ILE 78 -6.471 -6.789 7.191 531 HB ILE 78 HB ILE 78 -4.886 -5.563 5.816 532 HG12 ILE 78 2HG1 ILE 78 -3.522 -8.230 5.386 533 HG13 ILE 78 3HG1 ILE 78 -4.515 -7.349 4.184 534 HG21 ILE 78 1HG2 ILE 78 -3.708 -7.257 8.036 535 HG22 ILE 78 2HG2 ILE 78 -2.995 -5.790 7.234 536 HG23 ILE 78 3HG2 ILE 78 -4.558 -5.755 8.086 537 HD11 ILE 78 3HD1 ILE 78 -2.025 -6.926 3.894 538 HD12 ILE 78 1HD1 ILE 78 -3.030 -5.446 4.165 539 HD13 ILE 78 2HD1 ILE 78 -1.995 -6.253 5.394 540 H ALA 79 H ALA 79 -6.496 -8.981 4.371 541 HA ALA 79 HA ALA 79 -7.539 -7.406 2.498 542 HB1 ALA 79 1HB ALA 79 -6.674 -9.642 2.288 543 HB2 ALA 79 2HB ALA 79 -8.179 -10.348 2.925 544 HB3 ALA 79 3HB ALA 79 -8.184 -9.199 1.476 545 H ALA 80 H ALA 80 -9.490 -8.267 5.229 546 HA ALA 80 HA ALA 80 -11.917 -7.252 3.815 547 HB1 ALA 80 1HB ALA 80 -13.178 -8.009 5.732 548 HB2 ALA 80 2HB ALA 80 -12.427 -9.217 4.880 549 HB3 ALA 80 3HB ALA 80 -11.637 -8.750 6.427 550 H ILE 81 H ILE 81 -9.407 -6.418 6.152 551 HA ILE 81 HA ILE 81 -10.469 -4.014 7.020 552 HB ILE 81 HB ILE 81 -8.139 -5.637 7.164 553 HG12 ILE 81 2HG1 ILE 81 -8.782 -3.348 9.081 554 HG13 ILE 81 3HG1 ILE 81 -9.906 -4.764 8.981 555 HG21 ILE 81 1HG2 ILE 81 -7.415 -2.774 7.039 556 HG22 ILE 81 2HG2 ILE 81 -6.442 -3.984 7.915 557 HG23 ILE 81 3HG2 ILE 81 -6.693 -4.077 6.158 558 HD11 ILE 81 3HD1 ILE 81 -8.783 -5.364 10.654 559 HD12 ILE 81 1HD1 ILE 81 -8.109 -6.360 9.352 560 HD13 ILE 81 2HD1 ILE 81 -7.158 -5.012 9.916 561 H ILE 82 H ILE 82 -9.163 -4.860 4.041 562 HA ILE 82 HA ILE 82 -7.677 -2.422 3.392 563 HB ILE 82 HB ILE 82 -8.702 -4.849 1.776 564 HG12 ILE 82 2HG1 ILE 82 -6.798 -5.621 2.961 565 HG13 ILE 82 3HG1 ILE 82 -6.183 -5.326 1.386 566 HG21 ILE 82 1HG2 ILE 82 -8.720 -3.116 0.323 567 HG22 ILE 82 2HG2 ILE 82 -7.056 -2.493 0.866 568 HG23 ILE 82 3HG2 ILE 82 -7.314 -4.025 -0.026 569 HD11 ILE 82 3HD1 ILE 82 -4.530 -4.512 2.841 570 HD12 ILE 82 1HD1 ILE 82 -5.271 -3.038 2.294 571 HD13 ILE 82 2HD1 ILE 82 -5.767 -3.756 3.860 572 H LYS 83 H LYS 83 -11.088 -3.243 2.781 573 HA LYS 83 HA LYS 83 -11.305 -0.945 1.010 574 HB2 LYS 83 2HB LYS 83 -12.983 -2.965 1.616 575 HB3 LYS 83 3HB LYS 83 -13.276 -2.110 3.106 576 HG2 LYS 83 2HG LYS 83 -15.026 -1.629 1.527 577 HG3 LYS 83 3HG LYS 83 -14.147 -0.172 1.821 578 HD2 LYS 83 2HD LYS 83 -14.771 -0.172 -0.480 579 HD3 LYS 83 3HD LYS 83 -13.055 -0.587 -0.535 580 HE2 LYS 83 2HE LYS 83 -13.387 -2.865 -0.831 581 HE3 LYS 83 3HE LYS 83 -15.074 -2.800 -0.324 582 HZ1 LYS 83 3HZ LYS 83 -15.692 -1.760 -2.354 583 HZ2 LYS 83 1HZ LYS 83 -14.111 -1.559 -2.826 584 HZ3 LYS 83 2HZ LYS 83 -14.864 -3.027 -2.618 585 H ALA 84 H ALA 84 -10.928 -0.962 4.412 586 HA ALA 84 HA ALA 84 -12.675 1.214 4.672 587 HB1 ALA 84 1HB ALA 84 -11.827 -0.422 6.382 588 HB2 ALA 84 2HB ALA 84 -10.358 0.516 6.641 589 HB3 ALA 84 3HB ALA 84 -11.964 1.209 7.012 590 H GLY 85 H GLY 85 -9.465 1.465 3.433 591 HA2 GLY 85 2HA GLY 85 -9.993 4.298 2.931 592 HA3 GLY 85 3HA GLY 85 -8.468 3.884 3.649 593 H GLY 86 H GLY 86 -9.608 1.447 1.421 594 HA2 GLY 86 2HA GLY 86 -8.735 0.547 -0.410 595 HA3 GLY 86 3HA GLY 86 -8.544 2.187 -1.092 596 H HIS 87 H HIS 87 -7.376 0.002 1.499 597 HA HIS 87 HA HIS 87 -4.780 1.339 1.622 598 HB2 HIS 87 2HB HIS 87 -5.826 -1.095 3.079 599 HB3 HIS 87 3HB HIS 87 -4.332 -0.365 3.505 600 HD1 HIS 87 1HD HIS 87 -5.206 2.700 3.731 601 HD2 HIS 87 2HD HIS 87 -7.551 -0.603 4.942 602 HE1 HIS 87 1HE HIS 87 -6.568 3.454 5.668 603 HE2 HIS 87 2HE HIS 87 -8.034 1.441 6.451 604 HN1 NH2 88 HN1 NH2 88 -5.954 -1.343 -0.167 605 HN2 NH2 88 HN2 NH2 88 -4.380 -2.071 -0.526 Start of MODEL 3 1 H1 ACE 1 H1 ACE 1 3.002 5.811 12.698 2 H2 ACE 1 H2 ACE 1 2.992 7.509 13.282 3 H3 ACE 1 H3 ACE 1 1.478 6.559 13.405 4 H ALA 2 H ALA 2 0.318 8.235 12.348 5 HA ALA 2 HA ALA 2 -0.391 7.129 10.100 6 HB1 ALA 2 1HB ALA 2 -0.785 10.057 11.047 7 HB2 ALA 2 2HB ALA 2 -1.811 9.269 9.829 8 HB3 ALA 2 3HB ALA 2 -1.753 8.679 11.505 9 H LYS 3 H LYS 3 2.183 9.362 10.128 10 HA LYS 3 HA LYS 3 1.950 10.051 7.250 11 HB2 LYS 3 2HB LYS 3 2.600 11.816 8.819 12 HB3 LYS 3 3HB LYS 3 3.973 10.892 9.353 13 HG2 LYS 3 2HG LYS 3 5.094 11.178 7.199 14 HG3 LYS 3 3HG LYS 3 3.551 11.846 6.585 15 HD2 LYS 3 2HD LYS 3 4.982 13.696 7.091 16 HD3 LYS 3 3HD LYS 3 3.785 13.793 8.259 17 HE2 LYS 3 2HE LYS 3 5.347 12.829 9.935 18 HE3 LYS 3 3HE LYS 3 6.500 12.446 8.672 19 HZ1 LYS 3 3HZ LYS 3 7.099 14.669 8.486 20 HZ2 LYS 3 1HZ LYS 3 5.687 15.116 9.294 21 HZ3 LYS 3 2HZ LYS 3 6.938 14.371 10.097 22 H ALA 4 H ALA 4 4.110 8.371 9.363 23 HA ALA 4 HA ALA 4 5.545 7.162 7.358 24 HB1 ALA 4 1HB ALA 4 6.109 5.394 9.128 25 HB2 ALA 4 2HB ALA 4 6.259 6.917 9.844 26 HB3 ALA 4 3HB ALA 4 4.720 6.048 10.103 27 H ALA 5 H ALA 5 2.555 6.044 8.875 28 HA ALA 5 HA ALA 5 1.935 3.638 7.412 29 HB1 ALA 5 1HB ALA 5 -0.102 5.652 8.416 30 HB2 ALA 5 2HB ALA 5 -0.102 3.878 8.258 31 HB3 ALA 5 3HB ALA 5 0.958 4.606 9.438 32 H ALA 6 H ALA 6 1.496 6.948 6.227 33 HA ALA 6 HA ALA 6 0.105 5.971 3.876 34 HB1 ALA 6 1HB ALA 6 0.297 8.317 4.762 35 HB2 ALA 6 2HB ALA 6 1.684 8.614 3.934 36 HB3 ALA 6 3HB ALA 6 0.321 7.999 2.882 37 H ALA 7 H ALA 7 3.421 6.226 4.750 38 HA ALA 7 HA ALA 7 4.655 5.813 2.149 39 HB1 ALA 7 1HB ALA 7 5.829 4.961 4.626 40 HB2 ALA 7 2HB ALA 7 6.525 5.472 3.089 41 HB3 ALA 7 3HB ALA 7 5.749 6.752 4.122 42 H ALA 8 H ALA 8 3.777 3.520 4.940 43 HA ALA 8 HA ALA 8 4.535 1.317 3.430 44 HB1 ALA 8 1HB ALA 8 4.281 0.740 5.695 45 HB2 ALA 8 2HB ALA 8 2.685 1.489 5.834 46 HB3 ALA 8 3HB ALA 8 2.919 -0.061 4.933 47 H ILE 9 H ILE 9 1.416 2.861 3.709 48 HA ILE 9 HA ILE 9 -0.072 0.832 2.375 49 HB ILE 9 HB ILE 9 -0.821 3.648 2.758 50 HG12 ILE 9 2HG1 ILE 9 -0.737 2.676 4.987 51 HG13 ILE 9 3HG1 ILE 9 -2.434 2.566 4.562 52 HG21 ILE 9 1HG2 ILE 9 -2.059 2.713 1.024 53 HG22 ILE 9 2HG2 ILE 9 -2.517 1.327 2.146 54 HG23 ILE 9 3HG2 ILE 9 -3.058 3.060 2.473 55 HD11 ILE 9 3HD1 ILE 9 -2.357 0.185 4.311 56 HD12 ILE 9 1HD1 ILE 9 -0.556 0.144 4.621 57 HD13 ILE 9 2HD1 ILE 9 -1.679 0.712 5.777 58 H LYS 10 H LYS 10 1.325 3.674 1.180 59 HA LYS 10 HA LYS 10 0.509 3.336 -1.626 60 HB2 LYS 10 2HB LYS 10 1.121 5.527 -0.745 61 HB3 LYS 10 3HB LYS 10 2.768 4.933 -0.353 62 HG2 LYS 10 2HG LYS 10 3.451 4.722 -2.513 63 HG3 LYS 10 3HG LYS 10 1.901 5.162 -3.171 64 HD2 LYS 10 2HD LYS 10 3.392 7.128 -1.397 65 HD3 LYS 10 3HD LYS 10 3.736 7.009 -3.139 66 HE2 LYS 10 2HE LYS 10 1.562 7.342 -3.833 67 HE3 LYS 10 3HE LYS 10 0.871 7.251 -2.233 68 HZ1 LYS 10 3HZ LYS 10 2.128 9.283 -1.701 69 HZ2 LYS 10 1HZ LYS 10 2.391 9.524 -3.299 70 HZ3 LYS 10 2HZ LYS 10 0.862 9.352 -2.713 71 H ALA 11 H ALA 11 2.735 1.708 0.120 72 HA ALA 11 HA ALA 11 4.449 0.890 -2.083 73 HB1 ALA 11 1HB ALA 11 4.398 -0.095 0.709 74 HB2 ALA 11 2HB ALA 11 5.447 -0.704 -0.546 75 HB3 ALA 11 3HB ALA 11 5.610 0.976 0.027 76 H ILE 12 H ILE 12 1.578 -0.230 -0.476 77 HA ILE 12 HA ILE 12 1.419 -2.599 -2.077 78 HB ILE 12 HB ILE 12 -0.409 -3.149 -0.563 79 HG12 ILE 12 2HG1 ILE 12 0.975 -1.265 1.400 80 HG13 ILE 12 3HG1 ILE 12 -0.673 -1.140 0.611 81 HG21 ILE 12 1HG2 ILE 12 2.541 -3.037 0.362 82 HG22 ILE 12 2HG2 ILE 12 1.310 -4.178 1.006 83 HG23 ILE 12 3HG2 ILE 12 1.789 -4.300 -0.668 84 HD11 ILE 12 3HD1 ILE 12 -0.858 -1.961 2.856 85 HD12 ILE 12 1HD1 ILE 12 -1.519 -3.091 1.620 86 HD13 ILE 12 2HD1 ILE 12 -0.018 -3.461 2.381 87 H ALA 13 H ALA 13 -0.760 0.174 -1.552 88 HA ALA 13 HA ALA 13 -2.996 -0.920 -2.543 89 HB1 ALA 13 1HB ALA 13 -3.825 1.423 -2.557 90 HB2 ALA 13 2HB ALA 13 -2.614 1.423 -1.337 91 HB3 ALA 13 3HB ALA 13 -2.281 1.978 -3.076 92 H ALA 14 H ALA 14 -0.439 -0.263 -4.610 93 HA ALA 14 HA ALA 14 -2.391 -0.605 -6.900 94 HB1 ALA 14 1HB ALA 14 0.342 0.607 -7.057 95 HB2 ALA 14 2HB ALA 14 -0.844 0.253 -8.407 96 HB3 ALA 14 3HB ALA 14 -1.125 1.439 -7.065 97 H ILE 15 H ILE 15 -0.184 -2.306 -4.921 98 HA ILE 15 HA ILE 15 0.482 -4.289 -6.896 99 HB ILE 15 HB ILE 15 1.426 -3.276 -4.399 100 HG12 ILE 15 2HG1 ILE 15 2.540 -5.474 -6.073 101 HG13 ILE 15 3HG1 ILE 15 2.657 -3.806 -6.537 102 HG21 ILE 15 1HG2 ILE 15 1.340 -6.171 -4.012 103 HG22 ILE 15 2HG2 ILE 15 1.972 -4.789 -2.977 104 HG23 ILE 15 3HG2 ILE 15 0.306 -5.008 -3.015 105 HD11 ILE 15 3HD1 ILE 15 3.967 -3.303 -4.443 106 HD12 ILE 15 1HD1 ILE 15 3.948 -5.008 -4.083 107 HD13 ILE 15 2HD1 ILE 15 4.715 -4.416 -5.583 108 H ILE 16 H ILE 16 -1.801 -3.801 -4.290 109 HA ILE 16 HA ILE 16 -2.415 -6.362 -3.528 110 HB ILE 16 HB ILE 16 -3.640 -3.635 -3.236 111 HG12 ILE 16 2HG1 ILE 16 -3.160 -5.886 -1.214 112 HG13 ILE 16 3HG1 ILE 16 -1.811 -4.921 -1.830 113 HG21 ILE 16 1HG2 ILE 16 -5.169 -5.965 -2.216 114 HG22 ILE 16 2HG2 ILE 16 -5.632 -4.364 -1.949 115 HG23 ILE 16 3HG2 ILE 16 -5.687 -4.827 -3.611 116 HD11 ILE 16 3HD1 ILE 16 -4.177 -3.590 -0.550 117 HD12 ILE 16 1HD1 ILE 16 -2.772 -4.257 0.340 118 HD13 ILE 16 2HD1 ILE 16 -2.671 -2.916 -1.019 119 H LYS 17 H LYS 17 -3.673 -4.808 -6.270 120 HA LYS 17 HA LYS 17 -5.815 -6.395 -6.997 121 HB2 LYS 17 2HB LYS 17 -4.584 -4.298 -7.932 122 HB3 LYS 17 3HB LYS 17 -3.942 -5.445 -9.091 123 HG2 LYS 17 2HG LYS 17 -6.339 -6.217 -9.499 124 HG3 LYS 17 3HG LYS 17 -6.829 -4.823 -8.527 125 HD2 LYS 17 2HD LYS 17 -5.570 -3.350 -10.212 126 HD3 LYS 17 3HD LYS 17 -5.499 -4.786 -11.244 127 HE2 LYS 17 2HE LYS 17 -7.978 -5.110 -10.928 128 HE3 LYS 17 3HE LYS 17 -8.047 -3.573 -10.107 129 HZ1 LYS 17 3HZ LYS 17 -8.481 -3.450 -12.569 130 HZ2 LYS 17 1HZ LYS 17 -7.048 -2.593 -12.147 131 HZ3 LYS 17 2HZ LYS 17 -7.043 -4.006 -12.856 132 H ALA 18 H ALA 18 -2.506 -7.372 -6.891 133 HA ALA 18 HA ALA 18 -2.589 -9.324 -8.881 134 HB1 ALA 18 1HB ALA 18 -0.615 -8.783 -6.664 135 HB2 ALA 18 2HB ALA 18 -0.315 -9.808 -8.053 136 HB3 ALA 18 3HB ALA 18 -0.538 -8.148 -8.315 137 H GLY 19 H GLY 19 -4.398 -9.868 -6.261 138 HA2 GLY 19 2HA GLY 19 -5.185 -12.288 -6.789 139 HA3 GLY 19 3HA GLY 19 -3.656 -12.756 -6.068 140 H GLY 20 H GLY 20 -6.563 -10.789 -5.052 141 HA2 GLY 20 2HA GLY 20 -7.753 -10.770 -3.163 142 HA3 GLY 20 3HA GLY 20 -7.055 -12.331 -2.835 143 H HIS 21 H HIS 21 -5.059 -9.480 -2.921 144 HA HIS 21 HA HIS 21 -3.703 -10.003 -0.365 145 HB2 HIS 21 2HB HIS 21 -3.781 -7.741 -2.349 146 HB3 HIS 21 3HB HIS 21 -2.526 -7.960 -1.135 147 HD1 HIS 21 1HD HIS 21 -2.634 -11.283 -2.127 148 HD2 HIS 21 2HD HIS 21 -1.268 -7.707 -3.766 149 HE1 HIS 21 1HE HIS 21 -0.587 -11.814 -3.708 150 HE2 HIS 21 2HE HIS 21 0.212 -9.703 -4.677 151 HN1 NH2 22 HN1 NH2 22 -6.639 -8.031 -0.953 152 H1 ACE 23 H1 ACE 23 -2.285 -14.301 -4.822 153 H2 ACE 23 H2 ACE 23 -1.124 -14.943 -5.986 154 H3 ACE 23 H3 ACE 23 -1.993 -16.071 -4.870 155 H ALA 24 H ALA 24 -0.787 -16.966 -3.572 156 HA ALA 24 HA ALA 24 0.376 -15.891 -1.379 157 HB1 ALA 24 1HB ALA 24 1.738 -17.968 -1.026 158 HB2 ALA 24 2HB ALA 24 -0.066 -18.154 -1.277 159 HB3 ALA 24 3HB ALA 24 1.105 -18.541 -2.493 160 H LYS 25 H LYS 25 2.039 -16.726 -4.323 161 HA LYS 25 HA LYS 25 4.680 -16.056 -3.274 162 HB2 LYS 25 2HB LYS 25 3.775 -16.470 -6.147 163 HB3 LYS 25 3HB LYS 25 5.459 -16.341 -5.669 164 HG2 LYS 25 2HG LYS 25 5.441 -18.319 -4.439 165 HG3 LYS 25 3HG LYS 25 3.761 -18.432 -4.278 166 HD2 LYS 25 2HD LYS 25 3.770 -18.745 -6.979 167 HD3 LYS 25 3HD LYS 25 5.562 -18.690 -6.669 168 HE2 LYS 25 2HE LYS 25 5.187 -20.483 -4.881 169 HE3 LYS 25 3HE LYS 25 3.569 -20.654 -5.560 170 HZ1 LYS 25 3HZ LYS 25 4.652 -21.156 -7.680 171 HZ2 LYS 25 1HZ LYS 25 6.155 -21.152 -6.898 172 HZ3 LYS 25 2HZ LYS 25 5.039 -22.271 -6.560 173 H ALA 26 H ALA 26 2.293 -14.195 -5.142 174 HA ALA 26 HA ALA 26 3.942 -11.833 -5.335 175 HB1 ALA 26 1HB ALA 26 2.091 -11.016 -6.656 176 HB2 ALA 26 2HB ALA 26 2.270 -12.715 -6.999 177 HB3 ALA 26 3HB ALA 26 0.992 -12.260 -5.882 178 H ALA 27 H ALA 27 1.662 -13.067 -2.783 179 HA ALA 27 HA ALA 27 1.718 -10.550 -1.356 180 HB1 ALA 27 1HB ALA 27 1.097 -13.406 -0.760 181 HB2 ALA 27 2HB ALA 27 0.970 -11.969 0.349 182 HB3 ALA 27 3HB ALA 27 -0.063 -12.025 -1.034 183 H ALA 28 H ALA 28 3.692 -13.614 -1.149 184 HA ALA 28 HA ALA 28 5.424 -12.540 0.803 185 HB1 ALA 28 1HB ALA 28 5.345 -14.830 -0.922 186 HB2 ALA 28 2HB ALA 28 6.965 -14.332 -0.885 187 HB3 ALA 28 3HB ALA 28 6.149 -14.579 0.708 188 H ALA 29 H ALA 29 5.708 -11.980 -2.612 189 HA ALA 29 HA ALA 29 8.135 -10.442 -2.392 190 HB1 ALA 29 1HB ALA 29 5.891 -9.744 -4.356 191 HB2 ALA 29 2HB ALA 29 7.518 -9.364 -4.548 192 HB3 ALA 29 3HB ALA 29 7.042 -11.137 -4.531 193 H ALA 30 H ALA 30 4.666 -9.288 -2.292 194 HA ALA 30 HA ALA 30 5.287 -6.616 -2.013 195 HB1 ALA 30 1HB ALA 30 2.756 -8.241 -1.223 196 HB2 ALA 30 2HB ALA 30 2.910 -6.404 -1.363 197 HB3 ALA 30 3HB ALA 30 3.126 -7.374 -2.759 198 H ILE 31 H ILE 31 4.561 -9.007 0.348 199 HA ILE 31 HA ILE 31 5.071 -7.608 2.834 200 HB ILE 31 HB ILE 31 5.504 -10.517 1.926 201 HG12 ILE 31 2HG1 ILE 31 3.216 -9.642 1.866 202 HG13 ILE 31 3HG1 ILE 31 3.500 -11.064 2.770 203 HG21 ILE 31 1HG2 ILE 31 5.778 -9.443 4.662 204 HG22 ILE 31 2HG2 ILE 31 5.685 -11.134 4.173 205 HG23 ILE 31 3HG2 ILE 31 7.052 -10.164 3.662 206 HD11 ILE 31 3HD1 ILE 31 3.178 -9.896 4.843 207 HD12 ILE 31 1HD1 ILE 31 3.227 -8.245 4.106 208 HD13 ILE 31 2HD1 ILE 31 1.928 -9.308 3.819 209 H LYS 32 H LYS 32 7.383 -9.068 0.530 210 HA LYS 32 HA LYS 32 9.636 -8.308 2.291 211 HB2 LYS 32 2HB LYS 32 9.576 -10.280 0.777 212 HB3 LYS 32 3HB LYS 32 9.766 -9.161 -0.565 213 HG2 LYS 32 2HG LYS 32 11.930 -9.992 -0.055 214 HG3 LYS 32 3HG LYS 32 11.880 -8.317 0.479 215 HD2 LYS 32 2HD LYS 32 11.533 -9.027 2.836 216 HD3 LYS 32 3HD LYS 32 11.453 -10.703 2.268 217 HE2 LYS 32 2HE LYS 32 13.772 -10.497 1.317 218 HE3 LYS 32 3HE LYS 32 13.744 -8.769 1.805 219 HZ1 LYS 32 3HZ LYS 32 13.386 -9.690 4.090 220 HZ2 LYS 32 1HZ LYS 32 13.999 -11.054 3.605 221 HZ3 LYS 32 2HZ LYS 32 14.875 -9.602 3.551 222 H ALA 33 H ALA 33 8.149 -6.564 -0.272 223 HA ALA 33 HA ALA 33 10.120 -4.465 -0.474 224 HB1 ALA 33 1HB ALA 33 8.509 -3.328 -1.780 225 HB2 ALA 33 2HB ALA 33 8.673 -4.960 -2.296 226 HB3 ALA 33 3HB ALA 33 7.274 -4.419 -1.264 227 H ILE 34 H ILE 34 7.033 -4.817 1.488 228 HA ILE 34 HA ILE 34 7.432 -2.287 2.659 229 HB ILE 34 HB ILE 34 5.614 -2.727 4.108 230 HG12 ILE 34 2HG1 ILE 34 5.695 -5.576 3.362 231 HG13 ILE 34 3HG1 ILE 34 6.003 -4.931 4.914 232 HG21 ILE 34 1HG2 ILE 34 4.923 -3.985 1.368 233 HG22 ILE 34 2HG2 ILE 34 3.892 -2.942 2.433 234 HG23 ILE 34 3HG2 ILE 34 5.227 -2.335 1.580 235 HD11 ILE 34 3HD1 ILE 34 3.421 -4.071 4.737 236 HD12 ILE 34 1HD1 ILE 34 3.397 -5.085 3.354 237 HD13 ILE 34 2HD1 ILE 34 3.784 -5.768 5.007 238 H ALA 35 H ALA 35 8.371 -5.418 3.497 239 HA ALA 35 HA ALA 35 9.371 -5.008 6.026 240 HB1 ALA 35 1HB ALA 35 9.597 -7.257 4.714 241 HB2 ALA 35 2HB ALA 35 10.928 -6.498 3.896 242 HB3 ALA 35 3HB ALA 35 10.982 -6.897 5.667 243 H ALA 36 H ALA 36 10.677 -3.310 3.359 244 HA ALA 36 HA ALA 36 13.134 -2.341 4.746 245 HB1 ALA 36 1HB ALA 36 12.090 -1.485 2.032 246 HB2 ALA 36 2HB ALA 36 13.574 -1.105 2.850 247 HB3 ALA 36 3HB ALA 36 13.256 -2.846 2.308 248 H ILE 37 H ILE 37 9.847 -1.734 4.870 249 HA ILE 37 HA ILE 37 10.044 1.132 5.228 250 HB ILE 37 HB ILE 37 8.745 -0.496 3.302 251 HG12 ILE 37 2HG1 ILE 37 8.487 2.459 3.715 252 HG13 ILE 37 3HG1 ILE 37 9.931 1.661 3.005 253 HG21 ILE 37 1HG2 ILE 37 6.537 0.194 3.454 254 HG22 ILE 37 2HG2 ILE 37 6.870 -0.689 4.892 255 HG23 ILE 37 3HG2 ILE 37 6.803 1.114 5.002 256 HD11 ILE 37 3HD1 ILE 37 7.225 1.577 1.793 257 HD12 ILE 37 1HD1 ILE 37 8.828 2.148 1.079 258 HD13 ILE 37 2HD1 ILE 37 8.556 0.512 1.353 259 H ILE 38 H ILE 38 8.910 -1.878 6.538 260 HA ILE 38 HA ILE 38 6.935 -1.306 8.341 261 HB ILE 38 HB ILE 38 9.176 -3.184 8.103 262 HG12 ILE 38 2HG1 ILE 38 7.716 -3.933 6.664 263 HG13 ILE 38 3HG1 ILE 38 7.216 -4.807 8.102 264 HG21 ILE 38 1HG2 ILE 38 8.891 -2.976 10.557 265 HG22 ILE 38 2HG2 ILE 38 7.147 -3.247 10.282 266 HG23 ILE 38 3HG2 ILE 38 8.349 -4.555 10.098 267 HD11 ILE 38 3HD1 ILE 38 5.351 -3.329 8.378 268 HD12 ILE 38 1HD1 ILE 38 5.758 -2.392 6.933 269 HD13 ILE 38 2HD1 ILE 38 5.268 -4.140 6.810 270 H LYS 39 H LYS 39 10.446 -1.001 8.689 271 HA LYS 39 HA LYS 39 10.615 -0.094 11.365 272 HB2 LYS 39 2HB LYS 39 12.809 0.763 10.689 273 HB3 LYS 39 3HB LYS 39 12.600 -0.869 10.126 274 HG2 LYS 39 2HG LYS 39 11.960 0.075 7.808 275 HG3 LYS 39 3HG LYS 39 12.300 1.674 8.600 276 HD2 LYS 39 2HD LYS 39 14.566 0.889 9.249 277 HD3 LYS 39 3HD LYS 39 14.281 -0.609 8.337 278 HE2 LYS 39 2HE LYS 39 13.717 0.983 6.339 279 HE3 LYS 39 3HE LYS 39 14.622 2.157 7.288 280 HZ1 LYS 39 3HZ LYS 39 15.984 0.900 5.675 281 HZ2 LYS 39 1HZ LYS 39 16.477 0.805 7.216 282 HZ3 LYS 39 2HZ LYS 39 15.654 -0.471 6.385 283 H ALA 40 H ALA 40 9.370 1.653 8.683 284 HA ALA 40 HA ALA 40 10.389 4.143 9.430 285 HB1 ALA 40 1HB ALA 40 9.103 5.005 7.548 286 HB2 ALA 40 2HB ALA 40 9.766 3.414 7.294 287 HB3 ALA 40 3HB ALA 40 8.064 3.581 7.688 288 H GLY 41 H GLY 41 7.448 2.602 10.380 289 HA2 GLY 41 2HA GLY 41 7.630 4.360 12.693 290 HA3 GLY 41 3HA GLY 41 6.013 4.257 12.016 291 H GLY 42 H GLY 42 7.923 1.361 12.201 292 HA2 GLY 42 2HA GLY 42 8.070 -0.423 13.694 293 HA3 GLY 42 3HA GLY 42 7.086 0.488 14.770 294 H HIS 43 H HIS 43 6.236 -0.443 11.405 295 HA HIS 43 HA HIS 43 3.588 -0.937 12.194 296 HB2 HIS 43 2HB HIS 43 4.983 -0.998 9.458 297 HB3 HIS 43 3HB HIS 43 3.284 -0.632 9.765 298 HD1 HIS 43 1HD HIS 43 3.386 1.536 11.797 299 HD2 HIS 43 2HD HIS 43 5.967 1.340 8.537 300 HE1 HIS 43 1HE HIS 43 3.428 3.938 10.759 301 HE2 HIS 43 2HE HIS 43 5.207 3.869 8.951 302 HN1 NH2 44 HN1 NH2 44 5.904 -3.039 12.466 303 H1 ACE 45 H1 ACE 45 -6.639 7.583 3.670 304 H2 ACE 45 H2 ACE 45 -6.642 5.869 3.678 305 H3 ACE 45 H3 ACE 45 -7.677 6.560 4.847 306 H ALA 46 H ALA 46 -4.803 8.219 4.599 307 HA ALA 46 HA ALA 46 -2.958 6.505 5.719 308 HB1 ALA 46 1HB ALA 46 -2.486 8.546 4.678 309 HB2 ALA 46 2HB ALA 46 -3.179 9.512 5.985 310 HB3 ALA 46 3HB ALA 46 -1.637 8.600 6.265 311 H LYS 47 H LYS 47 -5.367 8.396 7.469 312 HA LYS 47 HA LYS 47 -4.053 7.922 10.013 313 HB2 LYS 47 2HB LYS 47 -6.683 9.344 9.522 314 HB3 LYS 47 3HB LYS 47 -5.827 9.360 11.074 315 HG2 LYS 47 2HG LYS 47 -3.931 10.508 10.257 316 HG3 LYS 47 3HG LYS 47 -4.784 10.689 8.692 317 HD2 LYS 47 2HD LYS 47 -5.181 12.664 9.964 318 HD3 LYS 47 3HD LYS 47 -6.694 11.803 9.776 319 HE2 LYS 47 2HE LYS 47 -6.462 10.861 12.053 320 HE3 LYS 47 3HE LYS 47 -5.052 11.906 12.309 321 HZ1 LYS 47 3HZ LYS 47 -6.262 13.705 11.786 322 HZ2 LYS 47 1HZ LYS 47 -7.780 12.925 11.963 323 HZ3 LYS 47 2HZ LYS 47 -6.779 13.145 13.169 324 H ALA 48 H ALA 48 -6.773 7.061 8.138 325 HA ALA 48 HA ALA 48 -8.087 5.255 9.943 326 HB1 ALA 48 1HB ALA 48 -8.281 5.300 6.963 327 HB2 ALA 48 2HB ALA 48 -9.558 4.778 8.002 328 HB3 ALA 48 3HB ALA 48 -9.104 6.518 7.979 329 H ALA 49 H ALA 49 -5.235 4.849 8.312 330 HA ALA 49 HA ALA 49 -5.257 2.231 7.519 331 HB1 ALA 49 1HB ALA 49 -2.947 2.507 7.131 332 HB2 ALA 49 2HB ALA 49 -3.559 4.123 7.042 333 HB3 ALA 49 3HB ALA 49 -2.866 3.708 8.567 334 H ALA 50 H ALA 50 -5.314 3.214 10.743 335 HA ALA 50 HA ALA 50 -3.814 1.349 12.120 336 HB1 ALA 50 1HB ALA 50 -6.310 2.768 13.106 337 HB2 ALA 50 2HB ALA 50 -5.159 1.919 14.067 338 HB3 ALA 50 3HB ALA 50 -4.592 3.394 13.331 339 H ALA 51 H ALA 51 -7.030 1.089 10.601 340 HA ALA 51 HA ALA 51 -7.891 -1.183 11.983 341 HB1 ALA 51 1HB ALA 51 -9.604 -0.354 10.730 342 HB2 ALA 51 2HB ALA 51 -8.532 0.485 9.631 343 HB3 ALA 51 3HB ALA 51 -8.814 -1.236 9.417 344 H ALA 52 H ALA 52 -5.968 -0.995 9.032 345 HA ALA 52 HA ALA 52 -5.326 -3.859 8.868 346 HB1 ALA 52 1HB ALA 52 -3.878 -2.948 7.045 347 HB2 ALA 52 2HB ALA 52 -5.540 -2.398 6.729 348 HB3 ALA 52 3HB ALA 52 -4.325 -1.367 7.580 349 H ILE 53 H ILE 53 -3.559 -0.974 9.921 350 HA ILE 53 HA ILE 53 -1.057 -2.322 9.803 351 HB ILE 53 HB ILE 53 -2.003 0.307 10.865 352 HG12 ILE 53 2HG1 ILE 53 -2.136 -0.075 8.520 353 HG13 ILE 53 3HG1 ILE 53 -0.985 1.166 8.700 354 HG21 ILE 53 1HG2 ILE 53 0.902 -0.872 10.771 355 HG22 ILE 53 2HG2 ILE 53 0.405 0.888 10.679 356 HG23 ILE 53 3HG2 ILE 53 0.178 -0.185 12.104 357 HD11 ILE 53 3HD1 ILE 53 0.899 -0.445 8.362 358 HD12 ILE 53 1HD1 ILE 53 -0.352 -1.688 8.018 359 HD13 ILE 53 2HD1 ILE 53 -0.210 -0.237 7.047 360 H LYS 54 H LYS 54 -3.175 -1.784 12.467 361 HA LYS 54 HA LYS 54 -1.690 -2.896 14.483 362 HB2 LYS 54 2HB LYS 54 -4.650 -2.602 14.047 363 HB3 LYS 54 3HB LYS 54 -4.052 -3.479 15.464 364 HG2 LYS 54 2HG LYS 54 -2.582 -1.649 16.031 365 HG3 LYS 54 3HG LYS 54 -3.150 -0.620 14.790 366 HD2 LYS 54 2HD LYS 54 -4.649 -1.460 17.260 367 HD3 LYS 54 3HD LYS 54 -3.996 0.096 16.750 368 HE2 LYS 54 2HE LYS 54 -5.604 -0.075 14.724 369 HE3 LYS 54 3HE LYS 54 -6.340 -1.496 15.486 370 HZ1 LYS 54 3HZ LYS 54 -7.628 0.310 15.923 371 HZ2 LYS 54 1HZ LYS 54 -6.998 -0.320 17.280 372 HZ3 LYS 54 2HZ LYS 54 -6.462 1.126 16.772 373 H ALA 55 H ALA 55 -3.324 -4.604 12.013 374 HA ALA 55 HA ALA 55 -3.545 -7.161 13.543 375 HB1 ALA 55 1HB ALA 55 -4.697 -7.990 11.560 376 HB2 ALA 55 2HB ALA 55 -5.420 -6.399 12.195 377 HB3 ALA 55 3HB ALA 55 -4.349 -6.394 10.797 378 H ILE 56 H ILE 56 -1.725 -5.835 10.876 379 HA ILE 56 HA ILE 56 -0.219 -8.293 10.733 380 HB ILE 56 HB ILE 56 1.203 -7.225 9.054 381 HG12 ILE 56 2HG1 ILE 56 -0.638 -4.868 9.177 382 HG13 ILE 56 3HG1 ILE 56 0.943 -4.839 9.826 383 HG21 ILE 56 1HG2 ILE 56 -0.680 -7.560 7.423 384 HG22 ILE 56 2HG2 ILE 56 -0.918 -8.559 8.849 385 HG23 ILE 56 3HG2 ILE 56 -1.747 -6.950 8.626 386 HD11 ILE 56 3HD1 ILE 56 1.001 -4.018 7.541 387 HD12 ILE 56 1HD1 ILE 56 1.754 -5.588 7.443 388 HD13 ILE 56 2HD1 ILE 56 0.003 -5.341 6.919 389 H ALA 57 H ALA 57 0.465 -5.171 12.249 390 HA ALA 57 HA ALA 57 3.196 -5.275 12.668 391 HB1 ALA 57 1HB ALA 57 2.328 -4.316 15.077 392 HB2 ALA 57 2HB ALA 57 2.549 -3.404 13.485 393 HB3 ALA 57 3HB ALA 57 0.960 -4.023 13.965 394 H ALA 58 H ALA 58 0.877 -7.323 14.321 395 HA ALA 58 HA ALA 58 3.074 -8.541 15.953 396 HB1 ALA 58 1HB ALA 58 1.105 -7.706 17.199 397 HB2 ALA 58 2HB ALA 58 0.074 -8.818 16.293 398 HB3 ALA 58 3HB ALA 58 1.367 -9.482 17.336 399 H ILE 59 H ILE 59 1.656 -9.065 13.208 400 HA ILE 59 HA ILE 59 1.931 -12.009 13.125 401 HB ILE 59 HB ILE 59 0.096 -10.299 12.128 402 HG12 ILE 59 2HG1 ILE 59 0.374 -13.232 11.463 403 HG13 ILE 59 3HG1 ILE 59 -0.495 -12.596 12.830 404 HG21 ILE 59 1HG2 ILE 59 1.746 -9.952 10.166 405 HG22 ILE 59 2HG2 ILE 59 1.355 -11.670 9.792 406 HG23 ILE 59 3HG2 ILE 59 0.052 -10.430 9.819 407 HD11 ILE 59 3HD1 ILE 59 -2.122 -13.067 11.062 408 HD12 ILE 59 1HD1 ILE 59 -2.037 -11.329 11.242 409 HD13 ILE 59 2HD1 ILE 59 -1.246 -12.121 9.899 410 H ILE 60 H ILE 60 3.398 -9.082 11.951 411 HA ILE 60 HA ILE 60 5.047 -9.871 9.972 412 HB ILE 60 HB ILE 60 4.788 -7.556 11.775 413 HG12 ILE 60 2HG1 ILE 60 5.244 -7.523 8.874 414 HG13 ILE 60 3HG1 ILE 60 3.722 -8.142 9.471 415 HG21 ILE 60 1HG2 ILE 60 7.250 -7.690 10.078 416 HG22 ILE 60 2HG2 ILE 60 6.715 -6.308 11.149 417 HG23 ILE 60 3HG2 ILE 60 7.175 -7.872 11.842 418 HD11 ILE 60 3HD1 ILE 60 4.699 -5.390 10.211 419 HD12 ILE 60 1HD1 ILE 60 3.844 -5.705 8.807 420 HD13 ILE 60 2HD1 ILE 60 2.985 -6.127 10.290 421 H LYS 61 H LYS 61 5.756 -10.327 13.291 422 HA LYS 61 HA LYS 61 8.485 -11.244 13.068 423 HB2 LYS 61 2HB LYS 61 8.124 -12.599 15.027 424 HB3 LYS 61 3HB LYS 61 7.308 -11.049 15.222 425 HG2 LYS 61 2HG LYS 61 5.128 -12.129 14.794 426 HG3 LYS 61 3HG LYS 61 5.893 -13.694 14.553 427 HD2 LYS 61 2HD LYS 61 6.965 -13.487 16.828 428 HD3 LYS 61 3HD LYS 61 5.972 -12.062 17.043 429 HE2 LYS 61 2HE LYS 61 3.904 -13.530 16.810 430 HE3 LYS 61 3HE LYS 61 4.967 -14.903 16.404 431 HZ1 LYS 61 3HZ LYS 61 5.393 -13.456 18.849 432 HZ2 LYS 61 1HZ LYS 61 4.270 -14.617 18.851 433 HZ3 LYS 61 2HZ LYS 61 5.746 -15.097 18.366 434 H ALA 62 H ALA 62 5.659 -12.726 11.844 435 HA ALA 62 HA ALA 62 6.468 -15.255 11.896 436 HB1 ALA 62 1HB ALA 62 4.631 -13.980 9.733 437 HB2 ALA 62 2HB ALA 62 4.773 -15.694 10.009 438 HB3 ALA 62 3HB ALA 62 4.204 -14.721 11.297 439 H GLY 63 H GLY 63 7.702 -13.131 9.761 440 HA2 GLY 63 2HA GLY 63 9.895 -14.892 8.936 441 HA3 GLY 63 3HA GLY 63 8.821 -14.543 7.590 442 H GLY 64 H GLY 64 10.089 -12.472 10.283 443 HA2 GLY 64 2HA GLY 64 10.780 -10.351 10.269 444 HA3 GLY 64 3HA GLY 64 11.931 -10.899 8.990 445 H HIS 65 H HIS 65 8.250 -10.338 8.920 446 HA HIS 65 HA HIS 65 8.273 -9.477 6.259 447 HB2 HIS 65 2HB HIS 65 6.305 -9.331 8.534 448 HB3 HIS 65 3HB HIS 65 5.849 -9.212 6.855 449 HD1 HIS 65 1HD HIS 65 7.722 -11.716 5.990 450 HD2 HIS 65 2HD HIS 65 4.516 -11.389 8.652 451 HE1 HIS 65 1HE HIS 65 6.194 -13.826 5.652 452 HE2 HIS 65 2HE HIS 65 4.222 -13.601 7.175 453 HN1 NH2 66 HN1 NH2 66 6.564 -7.622 5.857 454 H1 ACE 67 H1 ACE 67 8.010 -17.509 2.651 455 H2 ACE 67 H2 ACE 67 8.118 -15.831 1.836 456 H3 ACE 67 H3 ACE 67 7.671 -16.082 3.596 457 H ALA 68 H ALA 68 6.535 -17.540 0.645 458 HA ALA 68 HA ALA 68 4.279 -16.224 0.233 459 HB1 ALA 68 1HB ALA 68 5.461 -17.841 -1.341 460 HB2 ALA 68 2HB ALA 68 4.610 -19.134 -0.357 461 HB3 ALA 68 3HB ALA 68 3.697 -17.883 -1.221 462 H LYS 69 H LYS 69 4.375 -19.466 2.228 463 HA LYS 69 HA LYS 69 1.674 -19.543 2.760 464 HB2 LYS 69 2HB LYS 69 3.091 -21.361 2.913 465 HB3 LYS 69 3HB LYS 69 4.105 -20.635 4.118 466 HG2 LYS 69 2HG LYS 69 2.259 -20.570 5.719 467 HG3 LYS 69 3HG LYS 69 1.127 -21.328 4.642 468 HD2 LYS 69 2HD LYS 69 2.489 -23.302 4.358 469 HD3 LYS 69 3HD LYS 69 3.705 -22.723 5.450 470 HE2 LYS 69 2HE LYS 69 2.037 -22.449 7.258 471 HE3 LYS 69 3HE LYS 69 0.719 -22.953 6.228 472 HZ1 LYS 69 3HZ LYS 69 1.663 -25.064 5.951 473 HZ2 LYS 69 1HZ LYS 69 3.023 -24.645 6.706 474 HZ3 LYS 69 2HZ LYS 69 1.670 -24.889 7.547 475 H ALA 70 H ALA 70 4.321 -18.079 4.915 476 HA ALA 70 HA ALA 70 2.361 -16.994 6.728 477 HB1 ALA 70 1HB ALA 70 4.346 -15.559 7.378 478 HB2 ALA 70 2HB ALA 70 4.559 -17.350 7.576 479 HB3 ALA 70 3HB ALA 70 5.312 -16.566 6.267 480 H ALA 71 H ALA 71 3.513 -15.747 3.668 481 HA ALA 71 HA ALA 71 2.474 -13.006 3.910 482 HB1 ALA 71 1HB ALA 71 2.825 -14.535 1.460 483 HB2 ALA 71 2HB ALA 71 3.067 -12.771 1.738 484 HB3 ALA 71 3HB ALA 71 4.180 -14.043 2.369 485 H ALA 72 H ALA 72 1.227 -16.095 2.661 486 HA ALA 72 HA ALA 72 -1.338 -15.135 1.873 487 HB1 ALA 72 1HB ALA 72 -0.424 -17.056 0.849 488 HB2 ALA 72 2HB ALA 72 -0.364 -17.913 2.471 489 HB3 ALA 72 3HB ALA 72 -1.881 -17.498 1.571 490 H ALA 73 H ALA 73 -0.068 -16.073 5.049 491 HA ALA 73 HA ALA 73 -2.578 -16.265 6.371 492 HB1 ALA 73 1HB ALA 73 -0.908 -16.122 8.346 493 HB2 ALA 73 2HB ALA 73 -1.087 -17.553 7.364 494 HB3 ALA 73 3HB ALA 73 0.261 -16.363 7.021 495 H ALA 74 H ALA 74 0.095 -13.605 6.201 496 HA ALA 74 HA ALA 74 -1.321 -11.936 7.903 497 HB1 ALA 74 1HB ALA 74 0.189 -10.206 6.806 498 HB2 ALA 74 2HB ALA 74 1.115 -11.647 7.464 499 HB3 ALA 74 3HB ALA 74 0.798 -11.681 5.782 500 H ILE 75 H ILE 75 -1.304 -12.223 4.138 501 HA ILE 75 HA ILE 75 -3.116 -10.265 3.679 502 HB ILE 75 HB ILE 75 -2.035 -12.677 2.416 503 HG12 ILE 75 2HG1 ILE 75 -1.726 -11.094 0.521 504 HG13 ILE 75 3HG1 ILE 75 -2.458 -9.794 1.446 505 HG21 ILE 75 1HG2 ILE 75 -4.439 -13.112 1.957 506 HG22 ILE 75 2HG2 ILE 75 -4.595 -11.472 1.232 507 HG23 ILE 75 3HG2 ILE 75 -3.608 -12.720 0.502 508 HD11 ILE 75 3HD1 ILE 75 -0.167 -9.464 1.645 509 HD12 ILE 75 1HD1 ILE 75 -0.818 -9.785 3.107 510 HD13 ILE 75 2HD1 ILE 75 0.112 -11.125 2.140 511 H LYS 76 H LYS 76 -3.884 -13.392 4.917 512 HA LYS 76 HA LYS 76 -6.745 -13.018 4.497 513 HB2 LYS 76 2HB LYS 76 -5.105 -15.068 5.308 514 HB3 LYS 76 3HB LYS 76 -5.809 -14.615 6.801 515 HG2 LYS 76 2HG LYS 76 -8.124 -14.707 5.545 516 HG3 LYS 76 3HG LYS 76 -7.251 -15.131 4.100 517 HD2 LYS 76 2HD LYS 76 -7.131 -16.674 6.756 518 HD3 LYS 76 3HD LYS 76 -8.171 -17.204 5.420 519 HE2 LYS 76 2HE LYS 76 -6.360 -17.549 3.953 520 HE3 LYS 76 3HE LYS 76 -5.193 -17.274 5.190 521 HZ1 LYS 76 3HZ LYS 76 -6.238 -19.119 6.438 522 HZ2 LYS 76 1HZ LYS 76 -7.174 -19.458 5.101 523 HZ3 LYS 76 2HZ LYS 76 -5.579 -19.549 5.040 524 H ALA 77 H ALA 77 -4.621 -11.788 6.823 525 HA ALA 77 HA ALA 77 -6.897 -11.142 8.607 526 HB1 ALA 77 1HB ALA 77 -5.420 -10.882 10.407 527 HB2 ALA 77 2HB ALA 77 -4.335 -11.832 9.360 528 HB3 ALA 77 3HB ALA 77 -4.185 -10.133 9.360 529 H ILE 78 H ILE 78 -5.472 -9.660 6.002 530 HA ILE 78 HA ILE 78 -6.499 -7.036 6.902 531 HB ILE 78 HB ILE 78 -4.938 -5.908 5.525 532 HG12 ILE 78 2HG1 ILE 78 -3.515 -8.587 5.387 533 HG13 ILE 78 3HG1 ILE 78 -4.390 -7.855 4.058 534 HG21 ILE 78 1HG2 ILE 78 -3.769 -7.482 7.865 535 HG22 ILE 78 2HG2 ILE 78 -3.342 -5.899 7.289 536 HG23 ILE 78 3HG2 ILE 78 -4.867 -6.160 8.056 537 HD11 ILE 78 3HD1 ILE 78 -1.998 -6.629 5.545 538 HD12 ILE 78 1HD1 ILE 78 -2.010 -7.299 3.925 539 HD13 ILE 78 2HD1 ILE 78 -2.874 -5.788 4.250 540 H ALA 79 H ALA 79 -6.552 -9.344 4.107 541 HA ALA 79 HA ALA 79 -7.472 -7.752 2.207 542 HB1 ALA 79 1HB ALA 79 -8.525 -9.719 1.150 543 HB2 ALA 79 2HB ALA 79 -7.013 -10.176 1.856 544 HB3 ALA 79 3HB ALA 79 -8.532 -10.506 2.782 545 H ALA 80 H ALA 80 -9.851 -9.190 4.430 546 HA ALA 80 HA ALA 80 -11.978 -7.733 3.184 547 HB1 ALA 80 1HB ALA 80 -13.235 -8.871 5.061 548 HB2 ALA 80 2HB ALA 80 -11.858 -9.994 4.721 549 HB3 ALA 80 3HB ALA 80 -11.753 -8.774 5.984 550 H ILE 81 H ILE 81 -9.510 -6.534 4.861 551 HA ILE 81 HA ILE 81 -10.939 -4.454 6.239 552 HB ILE 81 HB ILE 81 -9.077 -6.310 7.044 553 HG12 ILE 81 2HG1 ILE 81 -10.054 -3.929 8.627 554 HG13 ILE 81 3HG1 ILE 81 -11.025 -5.417 8.401 555 HG21 ILE 81 1HG2 ILE 81 -7.337 -4.570 6.230 556 HG22 ILE 81 2HG2 ILE 81 -7.978 -3.481 7.491 557 HG23 ILE 81 3HG2 ILE 81 -7.273 -5.040 7.976 558 HD11 ILE 81 3HD1 ILE 81 -9.260 -6.807 9.218 559 HD12 ILE 81 1HD1 ILE 81 -8.620 -5.287 9.929 560 HD13 ILE 81 2HD1 ILE 81 -10.213 -5.888 10.417 561 H ILE 82 H ILE 82 -8.812 -5.004 3.727 562 HA ILE 82 HA ILE 82 -7.409 -2.507 3.456 563 HB ILE 82 HB ILE 82 -7.657 -4.921 2.036 564 HG12 ILE 82 2HG1 ILE 82 -5.305 -3.057 2.085 565 HG13 ILE 82 3HG1 ILE 82 -5.850 -3.794 3.567 566 HG21 ILE 82 1HG2 ILE 82 -7.028 -2.546 0.330 567 HG22 ILE 82 2HG2 ILE 82 -6.838 -4.246 -0.078 568 HG23 ILE 82 3HG2 ILE 82 -8.488 -3.662 0.194 569 HD11 ILE 82 3HD1 ILE 82 -4.000 -4.924 2.287 570 HD12 ILE 82 1HD1 ILE 82 -5.338 -6.024 2.745 571 HD13 ILE 82 2HD1 ILE 82 -5.110 -5.239 1.034 572 H LYS 83 H LYS 83 -10.680 -3.191 2.399 573 HA LYS 83 HA LYS 83 -11.200 -0.864 1.057 574 HB2 LYS 83 2HB LYS 83 -13.399 -1.172 1.468 575 HB3 LYS 83 3HB LYS 83 -12.674 -2.811 1.585 576 HG2 LYS 83 2HG LYS 83 -12.549 -2.751 3.958 577 HG3 LYS 83 3HG LYS 83 -13.247 -1.153 4.022 578 HD2 LYS 83 2HD LYS 83 -15.284 -2.012 2.866 579 HD3 LYS 83 3HD LYS 83 -14.615 -3.590 2.784 580 HE2 LYS 83 2HE LYS 83 -14.831 -2.164 5.464 581 HE3 LYS 83 3HE LYS 83 -16.298 -2.692 4.714 582 HZ1 LYS 83 3HZ LYS 83 -15.545 -4.457 6.183 583 HZ2 LYS 83 1HZ LYS 83 -15.199 -4.946 4.709 584 HZ3 LYS 83 2HZ LYS 83 -13.995 -4.376 5.642 585 H ALA 84 H ALA 84 -10.767 -1.095 4.597 586 HA ALA 84 HA ALA 84 -11.915 1.000 5.583 587 HB1 ALA 84 1HB ALA 84 -9.071 0.448 6.133 588 HB2 ALA 84 2HB ALA 84 -10.178 1.175 7.323 589 HB3 ALA 84 3HB ALA 84 -10.555 -0.421 6.782 590 H GLY 85 H GLY 85 -9.022 1.540 3.736 591 HA2 GLY 85 2HA GLY 85 -9.513 4.475 3.766 592 HA3 GLY 85 3HA GLY 85 -7.904 3.813 3.883 593 H GLY 86 H GLY 86 -9.522 1.807 1.730 594 HA2 GLY 86 2HA GLY 86 -9.135 1.484 -0.571 595 HA3 GLY 86 3HA GLY 86 -8.755 3.204 -0.685 596 H HIS 87 H HIS 87 -7.339 0.427 1.342 597 HA HIS 87 HA HIS 87 -4.867 1.667 1.182 598 HB2 HIS 87 2HB HIS 87 -5.958 -0.895 2.294 599 HB3 HIS 87 3HB HIS 87 -4.341 -0.177 2.574 600 HD1 HIS 87 1HD HIS 87 -5.497 2.873 3.006 601 HD2 HIS 87 2HD HIS 87 -6.600 -0.737 4.906 602 HE1 HIS 87 1HE HIS 87 -6.211 3.496 5.264 603 HE2 HIS 87 2HE HIS 87 -7.188 1.391 6.414 604 HN1 NH2 88 HN1 NH2 88 -6.278 -0.560 -0.987 605 HN2 NH2 88 HN2 NH2 88 -4.900 -1.367 -1.721 Start of MODEL 4 1 H1 ACE 1 H1 ACE 1 -0.470 2.873 14.413 2 H2 ACE 1 H2 ACE 1 -0.508 2.637 12.640 3 H3 ACE 1 H3 ACE 1 0.993 2.380 13.508 4 H ALA 2 H ALA 2 2.310 3.829 13.188 5 HA ALA 2 HA ALA 2 1.821 6.622 13.815 6 HB1 ALA 2 1HB ALA 2 4.199 5.055 13.781 7 HB2 ALA 2 2HB ALA 2 4.429 5.779 12.377 8 HB3 ALA 2 3HB ALA 2 4.260 6.818 13.748 9 H LYS 3 H LYS 3 2.382 8.547 12.463 10 HA LYS 3 HA LYS 3 0.692 8.332 10.281 11 HB2 LYS 3 2HB LYS 3 2.556 10.628 11.194 12 HB3 LYS 3 3HB LYS 3 1.382 10.707 9.848 13 HG2 LYS 3 2HG LYS 3 -0.506 10.310 11.385 14 HG3 LYS 3 3HG LYS 3 0.653 9.903 12.684 15 HD2 LYS 3 2HD LYS 3 1.606 12.179 12.660 16 HD3 LYS 3 3HD LYS 3 0.502 12.574 11.283 17 HE2 LYS 3 2HE LYS 3 -1.479 12.112 12.650 18 HE3 LYS 3 3HE LYS 3 -0.394 11.851 13.998 19 HZ1 LYS 3 3HZ LYS 3 -0.384 14.239 12.248 20 HZ2 LYS 3 1HZ LYS 3 -1.409 14.192 13.462 21 HZ3 LYS 3 2HZ LYS 3 0.232 14.218 13.820 22 H ALA 4 H ALA 4 3.994 7.601 10.106 23 HA ALA 4 HA ALA 4 4.465 8.262 7.428 24 HB1 ALA 4 1HB ALA 4 5.892 6.745 9.692 25 HB2 ALA 4 2HB ALA 4 6.556 7.060 8.046 26 HB3 ALA 4 3HB ALA 4 6.136 8.361 9.122 27 H ALA 5 H ALA 5 2.328 5.975 8.478 28 HA ALA 5 HA ALA 5 2.835 3.545 7.354 29 HB1 ALA 5 1HB ALA 5 0.882 4.029 8.686 30 HB2 ALA 5 2HB ALA 5 0.359 5.227 7.528 31 HB3 ALA 5 3HB ALA 5 0.363 3.483 7.062 32 H ALA 6 H ALA 6 2.077 6.363 5.309 33 HA ALA 6 HA ALA 6 1.244 5.570 3.006 34 HB1 ALA 6 1HB ALA 6 3.607 7.474 3.798 35 HB2 ALA 6 2HB ALA 6 2.937 7.485 2.235 36 HB3 ALA 6 3HB ALA 6 1.966 7.952 3.602 37 H ALA 7 H ALA 7 4.797 5.194 3.824 38 HA ALA 7 HA ALA 7 5.294 4.408 1.179 39 HB1 ALA 7 1HB ALA 7 6.888 3.783 3.713 40 HB2 ALA 7 2HB ALA 7 7.440 3.531 2.109 41 HB3 ALA 7 3HB ALA 7 7.194 5.208 2.728 42 H ALA 8 H ALA 8 4.483 2.573 4.047 43 HA ALA 8 HA ALA 8 4.808 -0.054 2.843 44 HB1 ALA 8 1HB ALA 8 3.229 0.640 5.358 45 HB2 ALA 8 2HB ALA 8 3.549 -0.951 4.653 46 HB3 ALA 8 3HB ALA 8 4.902 0.024 5.201 47 H ILE 9 H ILE 9 1.864 1.790 3.673 48 HA ILE 9 HA ILE 9 0.107 0.073 2.500 49 HB ILE 9 HB ILE 9 -0.065 3.096 3.131 50 HG12 ILE 9 2HG1 ILE 9 0.291 1.914 5.124 51 HG13 ILE 9 3HG1 ILE 9 -1.359 2.513 4.970 52 HG21 ILE 9 1HG2 ILE 9 -2.137 1.220 2.260 53 HG22 ILE 9 2HG2 ILE 9 -2.588 2.804 3.029 54 HG23 ILE 9 3HG2 ILE 9 -1.702 2.780 1.538 55 HD11 ILE 9 3HD1 ILE 9 -2.042 0.102 4.470 56 HD12 ILE 9 1HD1 ILE 9 -0.362 -0.318 4.838 57 HD13 ILE 9 2HD1 ILE 9 -1.607 0.389 6.059 58 H LYS 10 H LYS 10 1.383 3.026 1.005 59 HA LYS 10 HA LYS 10 0.239 2.606 -1.651 60 HB2 LYS 10 2HB LYS 10 1.493 4.627 -0.373 61 HB3 LYS 10 3HB LYS 10 2.953 3.872 -0.988 62 HG2 LYS 10 2HG LYS 10 2.165 4.051 -3.284 63 HG3 LYS 10 3HG LYS 10 0.674 4.812 -2.776 64 HD2 LYS 10 2HD LYS 10 1.860 6.735 -1.860 65 HD3 LYS 10 3HD LYS 10 3.390 5.903 -2.219 66 HE2 LYS 10 2HE LYS 10 3.065 6.147 -4.613 67 HE3 LYS 10 3HE LYS 10 1.342 6.519 -4.264 68 HZ1 LYS 10 3HZ LYS 10 3.640 8.225 -3.599 69 HZ2 LYS 10 1HZ LYS 10 2.415 8.509 -4.793 70 HZ3 LYS 10 2HZ LYS 10 2.141 8.557 -3.183 71 H ALA 11 H ALA 11 3.131 1.165 -0.320 72 HA ALA 11 HA ALA 11 4.159 0.195 -2.827 73 HB1 ALA 11 1HB ALA 11 4.781 -0.429 0.151 74 HB2 ALA 11 2HB ALA 11 5.394 -1.254 -1.263 75 HB3 ALA 11 3HB ALA 11 5.709 0.474 -1.003 76 H ILE 12 H ILE 12 1.497 -0.835 -0.636 77 HA ILE 12 HA ILE 12 1.368 -3.591 -1.786 78 HB ILE 12 HB ILE 12 -0.156 -4.261 -0.368 79 HG12 ILE 12 2HG1 ILE 12 0.386 -1.835 1.360 80 HG13 ILE 12 3HG1 ILE 12 -1.105 -2.239 0.425 81 HG21 ILE 12 1HG2 ILE 12 1.466 -4.577 1.475 82 HG22 ILE 12 2HG2 ILE 12 1.927 -4.989 -0.227 83 HG23 ILE 12 3HG2 ILE 12 2.535 -3.509 0.557 84 HD11 ILE 12 3HD1 ILE 12 -1.659 -2.859 2.599 85 HD12 ILE 12 1HD1 ILE 12 -1.396 -4.302 1.795 86 HD13 ILE 12 2HD1 ILE 12 -0.041 -3.733 2.795 87 H ALA 13 H ALA 13 -0.629 -0.570 -1.437 88 HA ALA 13 HA ALA 13 -2.854 -1.347 -2.414 89 HB1 ALA 13 1HB ALA 13 -3.093 1.020 -3.462 90 HB2 ALA 13 2HB ALA 13 -2.769 0.960 -1.767 91 HB3 ALA 13 3HB ALA 13 -1.464 1.218 -2.802 92 H ALA 14 H ALA 14 -0.638 -0.280 -5.032 93 HA ALA 14 HA ALA 14 -2.479 -1.236 -7.061 94 HB1 ALA 14 1HB ALA 14 -0.823 0.530 -7.409 95 HB2 ALA 14 2HB ALA 14 0.506 -0.730 -7.265 96 HB3 ALA 14 3HB ALA 14 -0.702 -0.898 -8.521 97 H ILE 15 H ILE 15 0.206 -2.442 -5.406 98 HA ILE 15 HA ILE 15 0.400 -4.898 -6.567 99 HB ILE 15 HB ILE 15 1.375 -3.791 -4.183 100 HG12 ILE 15 2HG1 ILE 15 3.275 -5.212 -4.369 101 HG13 ILE 15 3HG1 ILE 15 2.401 -6.019 -5.692 102 HG21 ILE 15 1HG2 ILE 15 1.043 -6.739 -3.760 103 HG22 ILE 15 2HG2 ILE 15 1.698 -5.615 -2.704 104 HG23 ILE 15 3HG2 ILE 15 -0.106 -5.565 -3.058 105 HD11 ILE 15 3HD1 ILE 15 2.368 -3.798 -6.932 106 HD12 ILE 15 1HD1 ILE 15 3.345 -3.161 -5.491 107 HD13 ILE 15 2HD1 ILE 15 4.024 -4.368 -6.540 108 H ILE 16 H ILE 16 -1.804 -4.326 -3.938 109 HA ILE 16 HA ILE 16 -3.108 -6.704 -3.466 110 HB ILE 16 HB ILE 16 -3.762 -3.931 -3.259 111 HG12 ILE 16 2HG1 ILE 16 -3.985 -5.978 -1.093 112 HG13 ILE 16 3HG1 ILE 16 -2.433 -5.696 -1.749 113 HG21 ILE 16 1HG2 ILE 16 -5.685 -6.146 -2.842 114 HG22 ILE 16 2HG2 ILE 16 -5.937 -4.602 -1.947 115 HG23 ILE 16 3HG2 ILE 16 -5.969 -4.663 -3.725 116 HD11 ILE 16 3HD1 ILE 16 -3.009 -3.051 -1.133 117 HD12 ILE 16 1HD1 ILE 16 -4.453 -3.812 -0.323 118 HD13 ILE 16 2HD1 ILE 16 -2.783 -4.205 0.110 119 H LYS 17 H LYS 17 -3.250 -4.963 -6.522 120 HA LYS 17 HA LYS 17 -5.495 -6.120 -7.716 121 HB2 LYS 17 2HB LYS 17 -2.770 -5.374 -8.916 122 HB3 LYS 17 3HB LYS 17 -4.326 -5.704 -9.808 123 HG2 LYS 17 2HG LYS 17 -5.557 -4.042 -8.784 124 HG3 LYS 17 3HG LYS 17 -4.190 -3.550 -7.774 125 HD2 LYS 17 2HD LYS 17 -4.321 -2.056 -9.636 126 HD3 LYS 17 3HD LYS 17 -2.845 -2.953 -9.795 127 HE2 LYS 17 2HE LYS 17 -4.046 -4.533 -11.377 128 HE3 LYS 17 3HE LYS 17 -5.403 -3.467 -11.343 129 HZ1 LYS 17 3HZ LYS 17 -3.911 -2.997 -13.118 130 HZ2 LYS 17 1HZ LYS 17 -3.962 -1.723 -12.253 131 HZ3 LYS 17 2HZ LYS 17 -2.600 -2.785 -12.177 132 H ALA 18 H ALA 18 -2.878 -7.799 -6.559 133 HA ALA 18 HA ALA 18 -2.134 -9.397 -8.617 134 HB1 ALA 18 1HB ALA 18 -0.782 -10.645 -6.965 135 HB2 ALA 18 2HB ALA 18 -0.833 -8.851 -6.782 136 HB3 ALA 18 3HB ALA 18 -1.752 -9.816 -5.720 137 H GLY 19 H GLY 19 -4.263 -10.208 -6.100 138 HA2 GLY 19 2HA GLY 19 -5.943 -11.953 -7.463 139 HA3 GLY 19 3HA GLY 19 -4.632 -13.067 -6.941 140 H GLY 20 H GLY 20 -6.485 -10.529 -5.535 141 HA2 GLY 20 2HA GLY 20 -8.272 -10.650 -4.048 142 HA3 GLY 20 3HA GLY 20 -7.801 -12.270 -3.529 143 H HIS 21 H HIS 21 -5.531 -9.484 -3.285 144 HA HIS 21 HA HIS 21 -4.563 -10.364 -0.753 145 HB2 HIS 21 2HB HIS 21 -4.036 -7.975 -2.453 146 HB3 HIS 21 3HB HIS 21 -3.065 -8.401 -1.035 147 HD1 HIS 21 1HD HIS 21 -3.131 -11.579 -2.161 148 HD2 HIS 21 2HD HIS 21 -1.445 -8.003 -3.430 149 HE1 HIS 21 1HE HIS 21 -0.835 -12.218 -3.035 150 HE2 HIS 21 2HE HIS 21 0.306 -10.067 -3.785 151 HN1 NH2 22 HN1 NH2 22 -4.335 -9.109 1.175 152 H1 ACE 23 H1 ACE 23 1.158 -20.731 -0.616 153 H2 ACE 23 H2 ACE 23 2.618 -20.394 0.247 154 H3 ACE 23 H3 ACE 23 1.244 -19.356 0.499 155 H ALA 24 H ALA 24 0.740 -18.120 -1.409 156 HA ALA 24 HA ALA 24 1.709 -17.730 -3.954 157 HB1 ALA 24 1HB ALA 24 0.523 -15.816 -1.888 158 HB2 ALA 24 2HB ALA 24 0.903 -15.277 -3.499 159 HB3 ALA 24 3HB ALA 24 -0.272 -16.487 -3.389 160 H LYS 25 H LYS 25 3.714 -17.310 -4.782 161 HA LYS 25 HA LYS 25 5.716 -15.552 -3.832 162 HB2 LYS 25 2HB LYS 25 4.722 -16.349 -6.590 163 HB3 LYS 25 3HB LYS 25 6.113 -15.299 -6.330 164 HG2 LYS 25 2HG LYS 25 7.115 -17.060 -4.798 165 HG3 LYS 25 3HG LYS 25 5.666 -18.017 -5.273 166 HD2 LYS 25 2HD LYS 25 7.535 -18.835 -6.667 167 HD3 LYS 25 3HD LYS 25 6.336 -17.844 -7.539 168 HE2 LYS 25 2HE LYS 25 7.832 -15.859 -7.209 169 HE3 LYS 25 3HE LYS 25 8.934 -16.744 -6.221 170 HZ1 LYS 25 3HZ LYS 25 8.496 -17.040 -9.075 171 HZ2 LYS 25 1HZ LYS 25 9.862 -16.395 -8.316 172 HZ3 LYS 25 2HZ LYS 25 9.572 -17.970 -8.153 173 H ALA 26 H ALA 26 2.586 -14.569 -5.071 174 HA ALA 26 HA ALA 26 3.494 -12.000 -5.708 175 HB1 ALA 26 1HB ALA 26 1.142 -11.693 -6.194 176 HB2 ALA 26 2HB ALA 26 1.539 -13.372 -6.676 177 HB3 ALA 26 3HB ALA 26 0.655 -13.057 -5.176 178 H ALA 27 H ALA 27 2.080 -13.377 -2.875 179 HA ALA 27 HA ALA 27 2.028 -11.095 -1.093 180 HB1 ALA 27 1HB ALA 27 0.651 -13.178 -0.634 181 HB2 ALA 27 2HB ALA 27 2.177 -14.085 -0.316 182 HB3 ALA 27 3HB ALA 27 1.898 -12.649 0.582 183 H ALA 28 H ALA 28 4.430 -13.775 -1.288 184 HA ALA 28 HA ALA 28 6.360 -12.661 0.286 185 HB1 ALA 28 1HB ALA 28 7.985 -13.982 -1.307 186 HB2 ALA 28 2HB ALA 28 6.508 -14.763 -0.673 187 HB3 ALA 28 3HB ALA 28 6.480 -14.267 -2.328 188 H ALA 29 H ALA 29 6.083 -12.044 -3.006 189 HA ALA 29 HA ALA 29 7.979 -10.144 -3.594 190 HB1 ALA 29 1HB ALA 29 6.595 -11.338 -5.148 191 HB2 ALA 29 2HB ALA 29 5.194 -10.463 -4.834 192 HB3 ALA 29 3HB ALA 29 6.606 -9.543 -5.462 193 H ALA 30 H ALA 30 4.660 -9.544 -2.380 194 HA ALA 30 HA ALA 30 4.906 -6.696 -2.110 195 HB1 ALA 30 1HB ALA 30 2.889 -6.863 -0.594 196 HB2 ALA 30 2HB ALA 30 2.687 -7.699 -2.095 197 HB3 ALA 30 3HB ALA 30 3.129 -8.640 -0.705 198 H ILE 31 H ILE 31 4.772 -8.902 0.565 199 HA ILE 31 HA ILE 31 5.988 -7.790 2.613 200 HB ILE 31 HB ILE 31 6.118 -10.436 1.555 201 HG12 ILE 31 2HG1 ILE 31 5.361 -11.144 3.519 202 HG13 ILE 31 3HG1 ILE 31 5.815 -9.776 4.424 203 HG21 ILE 31 1HG2 ILE 31 7.817 -11.324 3.136 204 HG22 ILE 31 2HG2 ILE 31 8.509 -10.373 1.875 205 HG23 ILE 31 3HG2 ILE 31 8.350 -9.652 3.500 206 HD11 ILE 31 3HD1 ILE 31 4.044 -8.491 3.532 207 HD12 ILE 31 1HD1 ILE 31 3.773 -9.544 2.163 208 HD13 ILE 31 2HD1 ILE 31 3.290 -10.001 3.873 209 H LYS 32 H LYS 32 8.325 -9.050 0.072 210 HA LYS 32 HA LYS 32 10.561 -7.825 1.242 211 HB2 LYS 32 2HB LYS 32 10.166 -8.955 -1.497 212 HB3 LYS 32 3HB LYS 32 11.707 -8.590 -0.742 213 HG2 LYS 32 2HG LYS 32 9.751 -10.617 0.288 214 HG3 LYS 32 3HG LYS 32 11.130 -11.065 -0.648 215 HD2 LYS 32 2HD LYS 32 12.640 -10.100 1.160 216 HD3 LYS 32 3HD LYS 32 11.092 -9.878 2.076 217 HE2 LYS 32 2HE LYS 32 10.506 -12.188 1.846 218 HE3 LYS 32 3HE LYS 32 11.985 -12.607 1.066 219 HZ1 LYS 32 3HZ LYS 32 12.090 -13.051 3.299 220 HZ2 LYS 32 1HZ LYS 32 13.122 -11.698 3.196 221 HZ3 LYS 32 2HZ LYS 32 11.734 -11.464 3.757 222 H ALA 33 H ALA 33 8.325 -6.166 -0.475 223 HA ALA 33 HA ALA 33 10.225 -3.930 -0.801 224 HB1 ALA 33 1HB ALA 33 8.247 -3.853 -2.391 225 HB2 ALA 33 2HB ALA 33 7.252 -3.450 -0.977 226 HB3 ALA 33 3HB ALA 33 8.553 -2.410 -1.552 227 H ILE 34 H ILE 34 7.167 -4.332 1.101 228 HA ILE 34 HA ILE 34 7.672 -2.130 2.685 229 HB ILE 34 HB ILE 34 5.872 -2.798 4.062 230 HG12 ILE 34 2HG1 ILE 34 5.782 -5.434 2.643 231 HG13 ILE 34 3HG1 ILE 34 6.205 -5.185 4.335 232 HG21 ILE 34 1HG2 ILE 34 4.161 -2.846 2.299 233 HG22 ILE 34 2HG2 ILE 34 5.542 -1.773 1.802 234 HG23 ILE 34 3HG2 ILE 34 5.267 -3.394 1.103 235 HD11 ILE 34 3HD1 ILE 34 3.813 -4.093 4.586 236 HD12 ILE 34 1HD1 ILE 34 3.501 -5.069 3.116 237 HD13 ILE 34 2HD1 ILE 34 4.060 -5.885 4.451 238 H ALA 35 H ALA 35 8.698 -5.569 3.317 239 HA ALA 35 HA ALA 35 9.289 -5.217 5.998 240 HB1 ALA 35 1HB ALA 35 9.301 -7.433 4.683 241 HB2 ALA 35 2HB ALA 35 10.837 -6.867 3.997 242 HB3 ALA 35 3HB ALA 35 10.662 -7.247 5.674 243 H ALA 36 H ALA 36 11.036 -3.688 3.426 244 HA ALA 36 HA ALA 36 13.079 -2.914 5.347 245 HB1 ALA 36 1HB ALA 36 14.442 -2.363 3.227 246 HB2 ALA 36 2HB ALA 36 13.887 -4.073 3.359 247 HB3 ALA 36 3HB ALA 36 13.005 -2.926 2.408 248 H ILE 37 H ILE 37 10.271 -1.976 4.696 249 HA ILE 37 HA ILE 37 10.723 0.914 4.916 250 HB ILE 37 HB ILE 37 9.377 -0.568 2.932 251 HG12 ILE 37 2HG1 ILE 37 9.570 2.441 2.963 252 HG13 ILE 37 3HG1 ILE 37 10.870 1.373 2.511 253 HG21 ILE 37 1HG2 ILE 37 7.244 0.216 2.657 254 HG22 ILE 37 2HG2 ILE 37 7.431 -0.468 4.284 255 HG23 ILE 37 3HG2 ILE 37 7.328 1.282 4.041 256 HD11 ILE 37 3HD1 ILE 37 9.164 0.394 0.766 257 HD12 ILE 37 1HD1 ILE 37 8.169 1.744 1.284 258 HD13 ILE 37 2HD1 ILE 37 9.765 2.098 0.478 259 H ILE 38 H ILE 38 8.964 -1.676 6.221 260 HA ILE 38 HA ILE 38 7.183 -0.250 7.736 261 HB ILE 38 HB ILE 38 8.538 -2.958 7.657 262 HG12 ILE 38 2HG1 ILE 38 5.687 -2.188 8.179 263 HG13 ILE 38 3HG1 ILE 38 6.379 -2.028 6.550 264 HG21 ILE 38 1HG2 ILE 38 8.806 -2.689 10.137 265 HG22 ILE 38 2HG2 ILE 38 7.051 -2.408 10.186 266 HG23 ILE 38 3HG2 ILE 38 7.592 -3.942 9.578 267 HD11 ILE 38 3HD1 ILE 38 6.008 -4.475 8.005 268 HD12 ILE 38 1HD1 ILE 38 5.483 -3.945 6.337 269 HD13 ILE 38 2HD1 ILE 38 7.228 -4.413 6.772 270 H LYS 39 H LYS 39 10.447 -0.592 8.497 271 HA LYS 39 HA LYS 39 10.486 0.568 11.123 272 HB2 LYS 39 2HB LYS 39 12.857 0.794 10.656 273 HB3 LYS 39 3HB LYS 39 12.371 -0.777 9.998 274 HG2 LYS 39 2HG LYS 39 12.093 0.094 7.773 275 HG3 LYS 39 3HG LYS 39 12.616 1.651 8.288 276 HD2 LYS 39 2HD LYS 39 14.142 -0.932 8.879 277 HD3 LYS 39 3HD LYS 39 14.354 -0.198 7.328 278 HE2 LYS 39 2HE LYS 39 15.292 1.835 8.620 279 HE3 LYS 39 3HE LYS 39 15.460 0.806 10.009 280 HZ1 LYS 39 3HZ LYS 39 17.388 0.403 8.984 281 HZ2 LYS 39 1HZ LYS 39 16.597 -0.826 8.445 282 HZ3 LYS 39 2HZ LYS 39 16.815 0.439 7.452 283 H ALA 40 H ALA 40 9.463 2.051 8.211 284 HA ALA 40 HA ALA 40 10.375 4.693 8.570 285 HB1 ALA 40 1HB ALA 40 9.232 3.830 6.522 286 HB2 ALA 40 2HB ALA 40 7.754 3.705 7.455 287 HB3 ALA 40 3HB ALA 40 8.508 5.291 7.237 288 H GLY 41 H GLY 41 7.950 2.866 10.116 289 HA2 GLY 41 2HA GLY 41 7.555 4.987 12.193 290 HA3 GLY 41 3HA GLY 41 6.138 4.379 11.338 291 H GLY 42 H GLY 42 8.212 1.820 11.890 292 HA2 GLY 42 2HA GLY 42 8.055 -0.046 13.279 293 HA3 GLY 42 3HA GLY 42 7.541 1.066 14.621 294 H HIS 43 H HIS 43 6.396 0.083 11.364 295 HA HIS 43 HA HIS 43 3.700 -0.319 11.974 296 HB2 HIS 43 2HB HIS 43 5.611 -0.862 9.620 297 HB3 HIS 43 3HB HIS 43 3.812 -0.955 9.570 298 HD1 HIS 43 1HD HIS 43 3.421 1.967 11.293 299 HD2 HIS 43 2HD HIS 43 5.968 1.307 7.982 300 HE1 HIS 43 1HE HIS 43 3.599 4.086 9.990 301 HE2 HIS 43 2HE HIS 43 5.413 3.759 8.282 302 HN1 NH2 44 HN1 NH2 44 5.611 -2.330 13.310 303 H1 ACE 45 H1 ACE 45 -8.847 6.758 5.723 304 H2 ACE 45 H2 ACE 45 -8.412 8.556 5.993 305 H3 ACE 45 H3 ACE 45 -7.591 7.505 4.898 306 H ALA 46 H ALA 46 -6.998 9.125 7.325 307 HA ALA 46 HA ALA 46 -4.741 7.631 8.305 308 HB1 ALA 46 1HB ALA 46 -4.726 10.057 8.755 309 HB2 ALA 46 2HB ALA 46 -6.305 9.837 9.677 310 HB3 ALA 46 3HB ALA 46 -4.749 9.154 10.261 311 H LYS 47 H LYS 47 -7.885 7.526 9.523 312 HA LYS 47 HA LYS 47 -7.155 6.044 11.874 313 HB2 LYS 47 2HB LYS 47 -9.874 6.727 10.547 314 HB3 LYS 47 3HB LYS 47 -9.817 5.630 11.901 315 HG2 LYS 47 2HG LYS 47 -8.620 7.279 13.240 316 HG3 LYS 47 3HG LYS 47 -8.424 8.417 12.008 317 HD2 LYS 47 2HD LYS 47 -10.972 8.695 12.004 318 HD3 LYS 47 3HD LYS 47 -11.022 7.677 13.438 319 HE2 LYS 47 2HE LYS 47 -9.355 9.242 14.518 320 HE3 LYS 47 3HE LYS 47 -9.710 10.400 13.283 321 HZ1 LYS 47 3HZ LYS 47 -11.711 9.002 14.812 322 HZ2 LYS 47 1HZ LYS 47 -11.202 10.491 15.306 323 HZ3 LYS 47 2HZ LYS 47 -11.963 10.285 13.800 324 H ALA 48 H ALA 48 -8.355 5.145 8.709 325 HA ALA 48 HA ALA 48 -8.467 2.334 9.440 326 HB1 ALA 48 1HB ALA 48 -9.954 3.419 7.664 327 HB2 ALA 48 2HB ALA 48 -8.692 3.680 6.640 328 HB3 ALA 48 3HB ALA 48 -8.920 2.009 7.081 329 H ALA 49 H ALA 49 -5.979 4.382 7.797 330 HA ALA 49 HA ALA 49 -4.288 2.214 7.361 331 HB1 ALA 49 1HB ALA 49 -3.643 5.217 7.825 332 HB2 ALA 49 2HB ALA 49 -2.492 3.988 7.186 333 HB3 ALA 49 3HB ALA 49 -3.926 4.382 6.342 334 H ALA 50 H ALA 50 -4.597 4.382 10.398 335 HA ALA 50 HA ALA 50 -2.623 2.960 11.707 336 HB1 ALA 50 1HB ALA 50 -3.290 5.180 12.405 337 HB2 ALA 50 2HB ALA 50 -4.956 4.535 12.456 338 HB3 ALA 50 3HB ALA 50 -3.784 3.975 13.724 339 H ALA 51 H ALA 51 -6.158 2.038 11.376 340 HA ALA 51 HA ALA 51 -5.960 -0.007 13.404 341 HB1 ALA 51 1HB ALA 51 -8.083 1.082 12.835 342 HB2 ALA 51 2HB ALA 51 -7.953 0.389 11.165 343 HB3 ALA 51 3HB ALA 51 -8.086 -0.631 12.646 344 H ALA 52 H ALA 52 -5.712 0.039 9.798 345 HA ALA 52 HA ALA 52 -5.450 -2.684 9.402 346 HB1 ALA 52 1HB ALA 52 -5.706 -1.137 7.574 347 HB2 ALA 52 2HB ALA 52 -4.156 -0.431 7.926 348 HB3 ALA 52 3HB ALA 52 -4.060 -2.059 7.401 349 H ILE 53 H ILE 53 -3.033 -0.335 10.133 350 HA ILE 53 HA ILE 53 -0.761 -1.946 10.054 351 HB ILE 53 HB ILE 53 -1.132 0.737 11.271 352 HG12 ILE 53 2HG1 ILE 53 -1.341 0.727 8.970 353 HG13 ILE 53 3HG1 ILE 53 -0.008 1.629 9.558 354 HG21 ILE 53 1HG2 ILE 53 1.378 -0.945 11.138 355 HG22 ILE 53 2HG2 ILE 53 1.277 0.827 11.524 356 HG23 ILE 53 3HG2 ILE 53 0.486 -0.309 12.559 357 HD11 ILE 53 3HD1 ILE 53 0.414 0.562 7.366 358 HD12 ILE 53 1HD1 ILE 53 1.510 -0.251 8.546 359 HD13 ILE 53 2HD1 ILE 53 0.075 -1.015 8.007 360 H LYS 54 H LYS 54 -2.976 -1.284 12.666 361 HA LYS 54 HA LYS 54 -1.734 -2.680 14.759 362 HB2 LYS 54 2HB LYS 54 -3.536 -1.012 14.911 363 HB3 LYS 54 3HB LYS 54 -4.641 -2.270 14.337 364 HG2 LYS 54 2HG LYS 54 -4.035 -3.717 16.237 365 HG3 LYS 54 3HG LYS 54 -2.876 -2.529 16.802 366 HD2 LYS 54 2HD LYS 54 -4.790 -0.886 17.178 367 HD3 LYS 54 3HD LYS 54 -5.846 -2.193 16.557 368 HE2 LYS 54 2HE LYS 54 -5.122 -3.710 18.368 369 HE3 LYS 54 3HE LYS 54 -3.877 -2.583 18.837 370 HZ1 LYS 54 3HZ LYS 54 -5.667 -1.040 19.486 371 HZ2 LYS 54 1HZ LYS 54 -6.788 -2.103 18.803 372 HZ3 LYS 54 2HZ LYS 54 -5.822 -2.469 20.197 373 H ALA 55 H ALA 55 -3.654 -3.953 11.942 374 HA ALA 55 HA ALA 55 -4.069 -6.604 13.124 375 HB1 ALA 55 1HB ALA 55 -4.271 -6.067 10.196 376 HB2 ALA 55 2HB ALA 55 -5.453 -6.797 11.296 377 HB3 ALA 55 3HB ALA 55 -5.364 -5.097 11.219 378 H ILE 56 H ILE 56 -1.360 -4.861 11.392 379 HA ILE 56 HA ILE 56 -0.312 -7.603 10.887 380 HB ILE 56 HB ILE 56 0.899 -6.615 9.103 381 HG12 ILE 56 2HG1 ILE 56 -0.937 -4.244 9.308 382 HG13 ILE 56 3HG1 ILE 56 0.626 -4.129 10.013 383 HG21 ILE 56 1HG2 ILE 56 -1.366 -7.904 8.976 384 HG22 ILE 56 2HG2 ILE 56 -2.081 -6.357 9.323 385 HG23 ILE 56 3HG2 ILE 56 -1.143 -6.536 7.774 386 HD11 ILE 56 3HD1 ILE 56 1.673 -4.528 7.662 387 HD12 ILE 56 1HD1 ILE 56 0.063 -4.745 7.095 388 HD13 ILE 56 2HD1 ILE 56 0.532 -3.167 7.802 389 H ALA 57 H ALA 57 0.556 -4.685 12.537 390 HA ALA 57 HA ALA 57 3.304 -4.965 12.715 391 HB1 ALA 57 1HB ALA 57 1.737 -4.040 15.100 392 HB2 ALA 57 2HB ALA 57 3.256 -3.486 14.450 393 HB3 ALA 57 3HB ALA 57 1.592 -3.115 13.681 394 H ALA 58 H ALA 58 0.989 -6.741 15.003 395 HA ALA 58 HA ALA 58 3.250 -7.974 16.271 396 HB1 ALA 58 1HB ALA 58 1.270 -9.230 17.430 397 HB2 ALA 58 2HB ALA 58 1.159 -7.437 17.431 398 HB3 ALA 58 3HB ALA 58 0.254 -8.507 16.264 399 H ILE 59 H ILE 59 1.045 -8.629 13.655 400 HA ILE 59 HA ILE 59 1.554 -11.484 13.360 401 HB ILE 59 HB ILE 59 -0.181 -9.512 12.494 402 HG12 ILE 59 2HG1 ILE 59 -0.044 -12.489 12.227 403 HG13 ILE 59 3HG1 ILE 59 -0.814 -11.542 13.502 404 HG21 ILE 59 1HG2 ILE 59 1.209 -9.403 10.425 405 HG22 ILE 59 2HG2 ILE 59 0.751 -11.110 10.044 406 HG23 ILE 59 3HG2 ILE 59 -0.459 -9.834 10.092 407 HD11 ILE 59 3HD1 ILE 59 -2.537 -10.673 12.038 408 HD12 ILE 59 1HD1 ILE 59 -1.841 -11.437 10.618 409 HD13 ILE 59 2HD1 ILE 59 -2.503 -12.372 11.887 410 H ILE 60 H ILE 60 3.130 -8.792 12.195 411 HA ILE 60 HA ILE 60 4.472 -9.761 9.988 412 HB ILE 60 HB ILE 60 4.579 -7.384 11.848 413 HG12 ILE 60 2HG1 ILE 60 4.910 -7.615 8.899 414 HG13 ILE 60 3HG1 ILE 60 3.324 -7.736 9.611 415 HG21 ILE 60 1HG2 ILE 60 6.674 -6.440 10.993 416 HG22 ILE 60 2HG2 ILE 60 6.873 -7.947 11.954 417 HG23 ILE 60 3HG2 ILE 60 7.108 -8.092 10.282 418 HD11 ILE 60 3HD1 ILE 60 3.645 -5.712 8.704 419 HD12 ILE 60 1HD1 ILE 60 3.332 -5.541 10.456 420 HD13 ILE 60 2HD1 ILE 60 5.036 -5.334 9.821 421 H LYS 61 H LYS 61 5.272 -10.074 13.244 422 HA LYS 61 HA LYS 61 7.865 -11.149 12.925 423 HB2 LYS 61 2HB LYS 61 5.763 -11.379 15.095 424 HB3 LYS 61 3HB LYS 61 7.336 -11.974 15.406 425 HG2 LYS 61 2HG LYS 61 8.299 -9.803 15.436 426 HG3 LYS 61 3HG LYS 61 6.962 -9.108 14.568 427 HD2 LYS 61 2HD LYS 61 5.517 -9.895 16.653 428 HD3 LYS 61 3HD LYS 61 7.062 -10.175 17.446 429 HE2 LYS 61 2HE LYS 61 7.521 -7.657 16.576 430 HE3 LYS 61 3HE LYS 61 5.770 -7.609 16.650 431 HZ1 LYS 61 3HZ LYS 61 6.861 -6.927 18.643 432 HZ2 LYS 61 1HZ LYS 61 5.882 -8.190 18.955 433 HZ3 LYS 61 2HZ LYS 61 7.516 -8.469 18.879 434 H ALA 62 H ALA 62 4.715 -12.554 12.448 435 HA ALA 62 HA ALA 62 5.010 -15.304 12.606 436 HB1 ALA 62 1HB ALA 62 3.637 -15.446 10.681 437 HB2 ALA 62 2HB ALA 62 3.050 -14.194 11.606 438 HB3 ALA 62 3HB ALA 62 4.024 -13.715 10.199 439 H GLY 63 H GLY 63 5.868 -13.572 9.718 440 HA2 GLY 63 2HA GLY 63 8.300 -15.242 9.331 441 HA3 GLY 63 3HA GLY 63 7.178 -14.887 7.999 442 H GLY 64 H GLY 64 7.989 -12.109 9.907 443 HA2 GLY 64 2HA GLY 64 9.983 -10.929 9.900 444 HA3 GLY 64 3HA GLY 64 10.511 -11.740 8.448 445 H HIS 65 H HIS 65 7.523 -10.407 8.608 446 HA HIS 65 HA HIS 65 7.607 -9.546 5.892 447 HB2 HIS 65 2HB HIS 65 5.377 -9.146 7.890 448 HB3 HIS 65 3HB HIS 65 5.172 -9.079 6.200 449 HD1 HIS 65 1HD HIS 65 6.999 -11.928 5.840 450 HD2 HIS 65 2HD HIS 65 4.117 -11.266 8.824 451 HE1 HIS 65 1HE HIS 65 5.955 -14.159 6.202 452 HE2 HIS 65 2HE HIS 65 4.353 -13.777 8.235 453 HN1 NH2 66 HN1 NH2 66 8.390 -7.576 8.575 454 H1 ACE 67 H1 ACE 67 7.815 -17.687 5.083 455 H2 ACE 67 H2 ACE 67 8.724 -16.823 3.924 456 H3 ACE 67 H3 ACE 67 8.061 -15.945 5.253 457 H ALA 68 H ALA 68 7.132 -17.722 2.246 458 HA ALA 68 HA ALA 68 5.228 -15.802 1.510 459 HB1 ALA 68 1HB ALA 68 5.253 -17.121 -0.574 460 HB2 ALA 68 2HB ALA 68 6.796 -17.016 0.009 461 HB3 ALA 68 3HB ALA 68 5.860 -18.569 0.248 462 H LYS 69 H LYS 69 4.747 -19.028 2.739 463 HA LYS 69 HA LYS 69 1.909 -18.828 2.691 464 HB2 LYS 69 2HB LYS 69 3.698 -20.392 4.509 465 HB3 LYS 69 3HB LYS 69 1.960 -20.505 4.556 466 HG2 LYS 69 2HG LYS 69 2.044 -21.431 2.218 467 HG3 LYS 69 3HG LYS 69 3.797 -21.364 2.318 468 HD2 LYS 69 2HD LYS 69 3.901 -23.116 3.908 469 HD3 LYS 69 3HD LYS 69 2.202 -22.915 4.369 470 HE2 LYS 69 2HE LYS 69 1.519 -23.613 2.042 471 HE3 LYS 69 3HE LYS 69 3.221 -24.111 1.780 472 HZ1 LYS 69 3HZ LYS 69 3.234 -25.641 3.099 473 HZ2 LYS 69 1HZ LYS 69 2.045 -25.080 4.128 474 HZ3 LYS 69 2HZ LYS 69 1.737 -25.841 2.589 475 H ALA 70 H ALA 70 4.130 -17.724 5.243 476 HA ALA 70 HA ALA 70 2.130 -16.820 7.008 477 HB1 ALA 70 1HB ALA 70 3.934 -15.781 8.142 478 HB2 ALA 70 2HB ALA 70 4.407 -17.433 7.616 479 HB3 ALA 70 3HB ALA 70 5.037 -15.978 6.844 480 H ALA 71 H ALA 71 3.670 -15.284 4.121 481 HA ALA 71 HA ALA 71 2.932 -12.706 4.831 482 HB1 ALA 71 1HB ALA 71 3.595 -12.254 2.466 483 HB2 ALA 71 2HB ALA 71 4.822 -13.380 3.283 484 HB3 ALA 71 3HB ALA 71 3.767 -14.087 2.201 485 H ALA 72 H ALA 72 1.713 -15.128 2.585 486 HA ALA 72 HA ALA 72 -0.645 -14.131 1.632 487 HB1 ALA 72 1HB ALA 72 0.298 -16.425 1.172 488 HB2 ALA 72 2HB ALA 72 -0.515 -16.957 2.642 489 HB3 ALA 72 3HB ALA 72 -1.505 -16.297 1.382 490 H ALA 73 H ALA 73 -0.104 -15.737 4.848 491 HA ALA 73 HA ALA 73 -2.742 -15.420 5.711 492 HB1 ALA 73 1HB ALA 73 -2.051 -16.203 7.847 493 HB2 ALA 73 2HB ALA 73 -0.938 -16.938 6.753 494 HB3 ALA 73 3HB ALA 73 -0.631 -15.426 7.766 495 H ALA 74 H ALA 74 -0.067 -13.227 6.274 496 HA ALA 74 HA ALA 74 -1.373 -11.542 7.931 497 HB1 ALA 74 1HB ALA 74 0.904 -10.793 5.997 498 HB2 ALA 74 2HB ALA 74 0.436 -9.743 7.246 499 HB3 ALA 74 3HB ALA 74 1.068 -11.349 7.674 500 H ILE 75 H ILE 75 -0.627 -11.086 4.529 501 HA ILE 75 HA ILE 75 -2.280 -9.217 3.493 502 HB ILE 75 HB ILE 75 -1.484 -11.918 2.366 503 HG12 ILE 75 2HG1 ILE 75 0.382 -10.541 2.977 504 HG13 ILE 75 3HG1 ILE 75 0.389 -10.854 1.257 505 HG21 ILE 75 1HG2 ILE 75 -3.223 -11.578 1.110 506 HG22 ILE 75 2HG2 ILE 75 -2.614 -9.773 0.705 507 HG23 ILE 75 3HG2 ILE 75 -1.851 -11.128 0.139 508 HD11 ILE 75 3HD1 ILE 75 0.940 -8.543 1.766 509 HD12 ILE 75 1HD1 ILE 75 -0.388 -8.865 0.626 510 HD13 ILE 75 2HD1 ILE 75 -0.727 -8.243 2.278 511 H LYS 76 H LYS 76 -3.313 -12.589 4.195 512 HA LYS 76 HA LYS 76 -6.084 -12.174 3.335 513 HB2 LYS 76 2HB LYS 76 -4.903 -14.345 3.343 514 HB3 LYS 76 3HB LYS 76 -4.906 -14.384 5.071 515 HG2 LYS 76 2HG LYS 76 -7.330 -14.321 5.168 516 HG3 LYS 76 3HG LYS 76 -7.454 -13.917 3.455 517 HD2 LYS 76 2HD LYS 76 -6.550 -16.170 2.829 518 HD3 LYS 76 3HD LYS 76 -6.468 -16.459 4.604 519 HE2 LYS 76 2HE LYS 76 -8.835 -16.237 4.865 520 HE3 LYS 76 3HE LYS 76 -9.102 -15.587 3.257 521 HZ1 LYS 76 3HZ LYS 76 -9.780 -17.683 3.134 522 HZ2 LYS 76 1HZ LYS 76 -8.305 -17.843 2.398 523 HZ3 LYS 76 2HZ LYS 76 -8.560 -18.308 3.939 524 H ALA 77 H ALA 77 -4.476 -11.715 6.442 525 HA ALA 77 HA ALA 77 -6.979 -11.504 7.834 526 HB1 ALA 77 1HB ALA 77 -4.433 -10.144 8.759 527 HB2 ALA 77 2HB ALA 77 -5.881 -10.789 9.655 528 HB3 ALA 77 3HB ALA 77 -4.798 -11.947 8.801 529 H ILE 78 H ILE 78 -4.806 -9.122 6.462 530 HA ILE 78 HA ILE 78 -6.554 -6.846 6.896 531 HB ILE 78 HB ILE 78 -5.131 -5.580 5.375 532 HG12 ILE 78 2HG1 ILE 78 -3.277 -7.862 5.140 533 HG13 ILE 78 3HG1 ILE 78 -4.403 -7.337 3.919 534 HG21 ILE 78 1HG2 ILE 78 -3.669 -7.032 7.498 535 HG22 ILE 78 2HG2 ILE 78 -3.405 -5.339 6.934 536 HG23 ILE 78 3HG2 ILE 78 -4.832 -5.728 7.862 537 HD11 ILE 78 3HD1 ILE 78 -1.956 -5.913 5.094 538 HD12 ILE 78 1HD1 ILE 78 -2.424 -6.270 3.341 539 HD13 ILE 78 2HD1 ILE 78 -3.350 -5.064 4.278 540 H ALA 79 H ALA 79 -6.395 -8.903 3.963 541 HA ALA 79 HA ALA 79 -7.641 -7.799 2.094 542 HB1 ALA 79 1HB ALA 79 -8.564 -10.527 3.034 543 HB2 ALA 79 2HB ALA 79 -8.706 -9.634 1.457 544 HB3 ALA 79 3HB ALA 79 -7.147 -10.197 2.179 545 H ALA 80 H ALA 80 -10.002 -8.500 4.577 546 HA ALA 80 HA ALA 80 -12.066 -7.078 3.096 547 HB1 ALA 80 1HB ALA 80 -13.423 -7.102 5.012 548 HB2 ALA 80 2HB ALA 80 -12.758 -8.703 4.673 549 HB3 ALA 80 3HB ALA 80 -12.128 -7.781 6.034 550 H ILE 81 H ILE 81 -10.128 -6.415 5.921 551 HA ILE 81 HA ILE 81 -10.579 -3.786 6.651 552 HB ILE 81 HB ILE 81 -8.475 -5.842 6.918 553 HG12 ILE 81 2HG1 ILE 81 -9.456 -3.610 8.739 554 HG13 ILE 81 3HG1 ILE 81 -10.257 -5.200 8.335 555 HG21 ILE 81 1HG2 ILE 81 -6.747 -4.494 7.726 556 HG22 ILE 81 2HG2 ILE 81 -6.939 -3.867 6.135 557 HG23 ILE 81 3HG2 ILE 81 -7.765 -2.999 7.558 558 HD11 ILE 81 3HD1 ILE 81 -9.096 -5.643 10.339 559 HD12 ILE 81 1HD1 ILE 81 -8.267 -6.454 9.124 560 HD13 ILE 81 2HD1 ILE 81 -7.574 -4.984 9.811 561 H ILE 82 H ILE 82 -8.475 -4.772 4.079 562 HA ILE 82 HA ILE 82 -7.476 -2.558 3.041 563 HB ILE 82 HB ILE 82 -8.884 -4.702 1.419 564 HG12 ILE 82 2HG1 ILE 82 -7.240 -5.780 2.489 565 HG13 ILE 82 3HG1 ILE 82 -6.503 -5.568 0.964 566 HG21 ILE 82 1HG2 ILE 82 -7.406 -4.074 -0.382 567 HG22 ILE 82 2HG2 ILE 82 -8.595 -2.826 -0.162 568 HG23 ILE 82 3HG2 ILE 82 -6.973 -2.537 0.386 569 HD11 ILE 82 3HD1 ILE 82 -5.784 -3.872 3.383 570 HD12 ILE 82 1HD1 ILE 82 -4.990 -5.197 2.743 571 HD13 ILE 82 2HD1 ILE 82 -5.193 -3.578 1.830 572 H LYS 83 H LYS 83 -10.894 -3.237 2.736 573 HA LYS 83 HA LYS 83 -11.595 -1.152 0.876 574 HB2 LYS 83 2HB LYS 83 -13.023 -2.853 2.962 575 HB3 LYS 83 3HB LYS 83 -13.846 -1.791 1.754 576 HG2 LYS 83 2HG LYS 83 -12.903 -2.948 -0.097 577 HG3 LYS 83 3HG LYS 83 -12.136 -4.106 0.944 578 HD2 LYS 83 2HD LYS 83 -15.148 -3.523 0.751 579 HD3 LYS 83 3HD LYS 83 -14.205 -4.889 0.112 580 HE2 LYS 83 2HE LYS 83 -13.586 -5.160 2.700 581 HE3 LYS 83 3HE LYS 83 -15.029 -4.227 2.963 582 HZ1 LYS 83 3HZ LYS 83 -15.021 -6.917 1.616 583 HZ2 LYS 83 1HZ LYS 83 -15.528 -6.524 3.139 584 HZ3 LYS 83 2HZ LYS 83 -16.298 -6.003 1.953 585 H ALA 84 H ALA 84 -11.169 -1.043 4.246 586 HA ALA 84 HA ALA 84 -12.986 0.984 5.053 587 HB1 ALA 84 1HB ALA 84 -11.895 -0.746 6.560 588 HB2 ALA 84 2HB ALA 84 -10.340 0.172 6.304 589 HB3 ALA 84 3HB ALA 84 -11.714 0.887 7.144 590 H GLY 85 H GLY 85 -9.752 1.289 3.842 591 HA2 GLY 85 2HA GLY 85 -10.470 4.089 3.146 592 HA3 GLY 85 3HA GLY 85 -8.962 3.814 3.998 593 H GLY 86 H GLY 86 -10.110 1.673 1.410 594 HA2 GLY 86 2HA GLY 86 -9.346 0.984 -0.383 595 HA3 GLY 86 3HA GLY 86 -9.033 2.689 -0.865 596 H HIS 87 H HIS 87 -7.519 0.691 1.507 597 HA HIS 87 HA HIS 87 -4.909 1.485 1.118 598 HB2 HIS 87 2HB HIS 87 -6.056 -0.897 2.632 599 HB3 HIS 87 3HB HIS 87 -4.460 -0.272 2.921 600 HD1 HIS 87 1HD HIS 87 -5.087 2.814 2.926 601 HD2 HIS 87 2HD HIS 87 -7.568 -0.155 4.759 602 HE1 HIS 87 1HE HIS 87 -6.257 3.854 5.100 603 HE2 HIS 87 2HE HIS 87 -7.936 2.231 5.737 604 HN1 NH2 88 HN1 NH2 88 -6.436 -0.541 -0.873 605 HN2 NH2 88 HN2 NH2 88 -5.063 -1.478 -1.538 Start of MODEL 5 1 H1 ACE 1 H1 ACE 1 0.196 7.650 14.003 2 H2 ACE 1 H2 ACE 1 1.307 6.563 13.297 3 H3 ACE 1 H3 ACE 1 1.592 8.348 13.073 4 H ALA 2 H ALA 2 -0.828 9.313 12.129 5 HA ALA 2 HA ALA 2 -2.402 7.640 10.495 6 HB1 ALA 2 1HB ALA 2 -3.436 9.637 11.366 7 HB2 ALA 2 2HB ALA 2 -2.046 10.644 10.775 8 HB3 ALA 2 3HB ALA 2 -3.247 9.842 9.747 9 H LYS 3 H LYS 3 -0.104 10.317 9.550 10 HA LYS 3 HA LYS 3 -0.035 9.518 6.956 11 HB2 LYS 3 2HB LYS 3 1.888 11.353 8.380 12 HB3 LYS 3 3HB LYS 3 1.416 11.299 6.675 13 HG2 LYS 3 2HG LYS 3 -0.836 12.099 7.258 14 HG3 LYS 3 3HG LYS 3 -0.368 11.988 8.994 15 HD2 LYS 3 2HD LYS 3 1.416 13.686 8.463 16 HD3 LYS 3 3HD LYS 3 0.543 13.996 7.026 17 HE2 LYS 3 2HE LYS 3 -1.259 14.916 8.321 18 HE3 LYS 3 3HE LYS 3 -1.003 14.227 9.793 19 HZ1 LYS 3 3HZ LYS 3 -0.312 16.446 9.790 20 HZ2 LYS 3 1HZ LYS 3 1.073 15.536 9.922 21 HZ3 LYS 3 2HZ LYS 3 0.579 16.405 8.547 22 H ALA 4 H ALA 4 2.071 8.622 9.714 23 HA ALA 4 HA ALA 4 4.241 7.425 8.325 24 HB1 ALA 4 1HB ALA 4 4.273 7.756 10.778 25 HB2 ALA 4 2HB ALA 4 2.994 6.516 10.970 26 HB3 ALA 4 3HB ALA 4 4.567 6.160 10.255 27 H ALA 5 H ALA 5 1.056 5.901 9.406 28 HA ALA 5 HA ALA 5 1.720 3.392 8.231 29 HB1 ALA 5 1HB ALA 5 -0.996 4.759 8.621 30 HB2 ALA 5 2HB ALA 5 -0.736 3.002 8.599 31 HB3 ALA 5 3HB ALA 5 -0.053 3.920 9.939 32 H ALA 6 H ALA 6 -0.197 6.216 6.976 33 HA ALA 6 HA ALA 6 -1.016 5.298 4.646 34 HB1 ALA 6 1HB ALA 6 -1.052 7.468 3.732 35 HB2 ALA 6 2HB ALA 6 -1.427 7.580 5.428 36 HB3 ALA 6 3HB ALA 6 0.233 7.986 4.829 37 H ALA 7 H ALA 7 2.276 6.463 5.400 38 HA ALA 7 HA ALA 7 3.558 6.512 2.809 39 HB1 ALA 7 1HB ALA 7 5.587 6.585 4.170 40 HB2 ALA 7 2HB ALA 7 4.336 7.740 4.830 41 HB3 ALA 7 3HB ALA 7 4.610 6.325 5.616 42 H ALA 8 H ALA 8 2.680 3.807 4.639 43 HA ALA 8 HA ALA 8 4.457 1.990 3.121 44 HB1 ALA 8 1HB ALA 8 4.837 2.097 5.611 45 HB2 ALA 8 2HB ALA 8 3.320 1.434 5.937 46 HB3 ALA 8 3HB ALA 8 4.351 0.470 4.849 47 H ILE 9 H ILE 9 1.243 2.431 4.368 48 HA ILE 9 HA ILE 9 -0.058 0.488 2.799 49 HB ILE 9 HB ILE 9 -0.912 3.260 3.667 50 HG12 ILE 9 2HG1 ILE 9 -0.404 1.701 5.391 51 HG13 ILE 9 3HG1 ILE 9 -2.165 2.010 5.400 52 HG21 ILE 9 1HG2 ILE 9 -2.371 3.212 2.080 53 HG22 ILE 9 2HG2 ILE 9 -2.585 1.399 1.931 54 HG23 ILE 9 3HG2 ILE 9 -3.268 2.226 3.294 55 HD11 ILE 9 3HD1 ILE 9 -1.769 -0.243 5.834 56 HD12 ILE 9 1HD1 ILE 9 -2.808 0.084 4.447 57 HD13 ILE 9 2HD1 ILE 9 -1.196 -0.540 4.182 58 H LYS 10 H LYS 10 0.914 3.762 1.918 59 HA LYS 10 HA LYS 10 0.141 3.680 -0.871 60 HB2 LYS 10 2HB LYS 10 2.310 5.095 0.688 61 HB3 LYS 10 3HB LYS 10 2.206 5.134 -1.107 62 HG2 LYS 10 2HG LYS 10 -0.031 6.002 -1.036 63 HG3 LYS 10 3HG LYS 10 -0.004 6.116 0.680 64 HD2 LYS 10 2HD LYS 10 1.957 7.465 -1.226 65 HD3 LYS 10 3HD LYS 10 0.477 8.189 -0.636 66 HE2 LYS 10 2HE LYS 10 1.475 8.768 1.402 67 HE3 LYS 10 3HE LYS 10 2.429 7.279 1.333 68 HZ1 LYS 10 3HZ LYS 10 2.871 9.779 -0.215 69 HZ2 LYS 10 1HZ LYS 10 3.811 9.314 1.026 70 HZ3 LYS 10 2HZ LYS 10 3.824 8.488 -0.388 71 H ALA 11 H ALA 11 2.913 2.144 0.579 72 HA ALA 11 HA ALA 11 4.165 1.615 -1.949 73 HB1 ALA 11 1HB ALA 11 5.414 1.894 0.084 74 HB2 ALA 11 2HB ALA 11 4.820 0.399 0.755 75 HB3 ALA 11 3HB ALA 11 5.760 0.318 -0.705 76 H ILE 12 H ILE 12 1.799 -0.071 0.125 77 HA ILE 12 HA ILE 12 1.819 -2.398 -1.544 78 HB ILE 12 HB ILE 12 0.366 -3.409 -0.152 79 HG12 ILE 12 2HG1 ILE 12 0.102 -1.087 1.702 80 HG13 ILE 12 3HG1 ILE 12 -1.132 -1.580 0.558 81 HG21 ILE 12 1HG2 ILE 12 1.729 -3.660 1.737 82 HG22 ILE 12 2HG2 ILE 12 2.787 -3.348 0.402 83 HG23 ILE 12 3HG2 ILE 12 2.465 -2.072 1.565 84 HD11 ILE 12 3HD1 ILE 12 -0.222 -3.009 3.071 85 HD12 ILE 12 1HD1 ILE 12 -1.911 -2.654 2.484 86 HD13 ILE 12 2HD1 ILE 12 -0.858 -3.866 1.703 87 H ALA 13 H ALA 13 -0.559 0.287 -1.154 88 HA ALA 13 HA ALA 13 -2.743 -0.447 -2.632 89 HB1 ALA 13 1HB ALA 13 -2.874 1.904 -2.912 90 HB2 ALA 13 2HB ALA 13 -2.367 1.689 -1.253 91 HB3 ALA 13 3HB ALA 13 -1.245 2.241 -2.530 92 H ALA 14 H ALA 14 0.394 0.788 -3.934 93 HA ALA 14 HA ALA 14 -0.187 0.392 -6.763 94 HB1 ALA 14 1HB ALA 14 2.187 0.918 -6.951 95 HB2 ALA 14 2HB ALA 14 1.283 2.070 -5.967 96 HB3 ALA 14 3HB ALA 14 2.438 0.857 -5.251 97 H ILE 15 H ILE 15 -0.023 -2.019 -4.558 98 HA ILE 15 HA ILE 15 1.148 -3.862 -6.450 99 HB ILE 15 HB ILE 15 1.995 -2.928 -3.810 100 HG12 ILE 15 2HG1 ILE 15 3.040 -5.364 -5.310 101 HG13 ILE 15 3HG1 ILE 15 3.258 -3.753 -5.965 102 HG21 ILE 15 1HG2 ILE 15 1.368 -5.862 -3.655 103 HG22 ILE 15 2HG2 ILE 15 2.388 -4.830 -2.532 104 HG23 ILE 15 3HG2 ILE 15 0.644 -4.619 -2.700 105 HD11 ILE 15 3HD1 ILE 15 4.459 -3.131 -3.786 106 HD12 ILE 15 1HD1 ILE 15 4.459 -4.900 -3.420 107 HD13 ILE 15 2HD1 ILE 15 5.226 -4.372 -4.869 108 H ILE 16 H ILE 16 -1.274 -3.298 -4.123 109 HA ILE 16 HA ILE 16 -2.611 -5.566 -3.503 110 HB ILE 16 HB ILE 16 -3.780 -3.036 -4.274 111 HG12 ILE 16 2HG1 ILE 16 -2.485 -2.422 -2.662 112 HG13 ILE 16 3HG1 ILE 16 -3.962 -2.666 -1.799 113 HG21 ILE 16 1HG2 ILE 16 -5.736 -3.768 -2.836 114 HG22 ILE 16 2HG2 ILE 16 -5.362 -4.989 -4.139 115 HG23 ILE 16 3HG2 ILE 16 -4.921 -5.302 -2.457 116 HD11 ILE 16 3HD1 ILE 16 -3.105 -4.707 -0.762 117 HD12 ILE 16 1HD1 ILE 16 -1.565 -4.573 -1.703 118 HD13 ILE 16 2HD1 ILE 16 -1.935 -3.400 -0.566 119 H LYS 17 H LYS 17 -2.856 -3.990 -6.931 120 HA LYS 17 HA LYS 17 -4.782 -5.622 -7.809 121 HB2 LYS 17 2HB LYS 17 -3.848 -3.390 -8.619 122 HB3 LYS 17 3HB LYS 17 -2.448 -4.210 -9.225 123 HG2 LYS 17 2HG LYS 17 -3.902 -5.399 -10.883 124 HG3 LYS 17 3HG LYS 17 -5.309 -4.610 -10.243 125 HD2 LYS 17 2HD LYS 17 -4.478 -2.433 -10.914 126 HD3 LYS 17 3HD LYS 17 -2.874 -3.056 -11.243 127 HE2 LYS 17 2HE LYS 17 -3.666 -4.244 -13.193 128 HE3 LYS 17 3HE LYS 17 -5.298 -3.753 -12.923 129 HZ1 LYS 17 3HZ LYS 17 -3.998 -2.516 -14.547 130 HZ2 LYS 17 1HZ LYS 17 -4.728 -1.545 -13.593 131 HZ3 LYS 17 2HZ LYS 17 -3.111 -1.760 -13.356 132 H ALA 18 H ALA 18 -1.791 -6.649 -7.038 133 HA ALA 18 HA ALA 18 -1.129 -8.416 -9.285 134 HB1 ALA 18 1HB ALA 18 0.794 -7.732 -8.105 135 HB2 ALA 18 2HB ALA 18 -0.155 -8.033 -6.489 136 HB3 ALA 18 3HB ALA 18 0.351 -9.269 -7.482 137 H GLY 19 H GLY 19 -3.563 -8.778 -6.752 138 HA2 GLY 19 2HA GLY 19 -4.009 -11.554 -7.229 139 HA3 GLY 19 3HA GLY 19 -2.844 -11.332 -5.960 140 H GLY 20 H GLY 20 -4.507 -12.533 -4.887 141 HA2 GLY 20 2HA GLY 20 -7.146 -11.633 -4.127 142 HA3 GLY 20 3HA GLY 20 -6.165 -12.800 -3.285 143 H HIS 21 H HIS 21 -4.469 -9.645 -3.457 144 HA HIS 21 HA HIS 21 -4.038 -9.695 -0.868 145 HB2 HIS 21 2HB HIS 21 -3.822 -7.333 -2.677 146 HB3 HIS 21 3HB HIS 21 -2.828 -7.655 -1.259 147 HD1 HIS 21 1HD HIS 21 -2.206 -10.831 -1.982 148 HD2 HIS 21 2HD HIS 21 -1.902 -7.506 -4.527 149 HE1 HIS 21 1HE HIS 21 -0.663 -11.413 -3.753 150 HE2 HIS 21 2HE HIS 21 -0.392 -9.453 -5.359 151 HN1 NH2 22 HN1 NH2 22 -7.143 -8.541 -1.964 152 H1 ACE 23 H1 ACE 23 -1.888 -18.801 -3.810 153 H2 ACE 23 H2 ACE 23 -2.328 -19.473 -2.259 154 H3 ACE 23 H3 ACE 23 -3.085 -17.987 -2.858 155 H ALA 24 H ALA 24 0.364 -18.493 -3.010 156 HA ALA 24 HA ALA 24 0.769 -16.482 -0.775 157 HB1 ALA 24 1HB ALA 24 1.000 -18.904 0.196 158 HB2 ALA 24 2HB ALA 24 2.383 -19.111 -0.824 159 HB3 ALA 24 3HB ALA 24 2.258 -17.849 0.429 160 H LYS 25 H LYS 25 1.685 -17.225 -3.806 161 HA LYS 25 HA LYS 25 4.421 -16.311 -3.738 162 HB2 LYS 25 2HB LYS 25 3.529 -17.867 -5.530 163 HB3 LYS 25 3HB LYS 25 2.885 -16.417 -6.270 164 HG2 LYS 25 2HG LYS 25 5.040 -17.108 -7.254 165 HG3 LYS 25 3HG LYS 25 5.068 -15.511 -6.546 166 HD2 LYS 25 2HD LYS 25 6.234 -16.582 -4.497 167 HD3 LYS 25 3HD LYS 25 6.122 -18.101 -5.355 168 HE2 LYS 25 2HE LYS 25 7.373 -16.856 -7.299 169 HE3 LYS 25 3HE LYS 25 7.645 -15.505 -6.271 170 HZ1 LYS 25 3HZ LYS 25 8.457 -18.249 -5.630 171 HZ2 LYS 25 1HZ LYS 25 9.497 -17.218 -6.293 172 HZ3 LYS 25 2HZ LYS 25 8.927 -16.806 -4.845 173 H ALA 26 H ALA 26 1.478 -14.720 -5.014 174 HA ALA 26 HA ALA 26 3.024 -12.303 -5.404 175 HB1 ALA 26 1HB ALA 26 0.637 -11.395 -5.725 176 HB2 ALA 26 2HB ALA 26 1.053 -12.642 -6.884 177 HB3 ALA 26 3HB ALA 26 0.040 -13.108 -5.718 178 H ALA 27 H ALA 27 1.153 -13.507 -2.866 179 HA ALA 27 HA ALA 27 0.966 -11.484 -0.757 180 HB1 ALA 27 1HB ALA 27 1.407 -14.480 -0.710 181 HB2 ALA 27 2HB ALA 27 1.318 -13.557 0.752 182 HB3 ALA 27 3HB ALA 27 -0.026 -13.742 -0.331 183 H ALA 28 H ALA 28 3.607 -13.933 -1.287 184 HA ALA 28 HA ALA 28 5.566 -12.536 0.323 185 HB1 ALA 28 1HB ALA 28 6.320 -14.319 -1.848 186 HB2 ALA 28 2HB ALA 28 6.846 -14.335 -0.182 187 HB3 ALA 28 3HB ALA 28 5.279 -14.958 -0.542 188 H ALA 29 H ALA 29 4.857 -12.196 -3.075 189 HA ALA 29 HA ALA 29 6.977 -10.426 -3.561 190 HB1 ALA 29 1HB ALA 29 4.251 -10.191 -5.030 191 HB2 ALA 29 2HB ALA 29 5.862 -9.702 -5.660 192 HB3 ALA 29 3HB ALA 29 5.474 -11.405 -5.344 193 H ALA 30 H ALA 30 3.743 -9.512 -2.443 194 HA ALA 30 HA ALA 30 4.202 -6.601 -2.412 195 HB1 ALA 30 1HB ALA 30 2.666 -8.011 -0.283 196 HB2 ALA 30 2HB ALA 30 2.377 -6.404 -1.057 197 HB3 ALA 30 3HB ALA 30 1.950 -7.975 -1.880 198 H ILE 31 H ILE 31 4.435 -9.088 0.031 199 HA ILE 31 HA ILE 31 5.642 -7.580 2.133 200 HB ILE 31 HB ILE 31 6.087 -10.441 1.336 201 HG12 ILE 31 2HG1 ILE 31 3.813 -10.338 1.635 202 HG13 ILE 31 3HG1 ILE 31 4.409 -11.112 3.044 203 HG21 ILE 31 1HG2 ILE 31 6.543 -9.097 4.047 204 HG22 ILE 31 2HG2 ILE 31 6.588 -10.824 3.610 205 HG23 ILE 31 3HG2 ILE 31 7.798 -9.854 2.935 206 HD11 ILE 31 3HD1 ILE 31 4.163 -8.817 4.280 207 HD12 ILE 31 1HD1 ILE 31 3.345 -8.242 2.819 208 HD13 ILE 31 2HD1 ILE 31 2.714 -9.593 3.717 209 H LYS 32 H LYS 32 7.383 -9.140 -0.339 210 HA LYS 32 HA LYS 32 10.000 -8.298 0.376 211 HB2 LYS 32 2HB LYS 32 9.354 -10.107 -1.200 212 HB3 LYS 32 3HB LYS 32 9.078 -8.829 -2.373 213 HG2 LYS 32 2HG LYS 32 11.407 -8.251 -2.405 214 HG3 LYS 32 3HG LYS 32 11.739 -9.137 -0.939 215 HD2 LYS 32 2HD LYS 32 11.395 -11.298 -2.144 216 HD3 LYS 32 3HD LYS 32 10.823 -10.327 -3.529 217 HE2 LYS 32 2HE LYS 32 13.016 -9.408 -3.897 218 HE3 LYS 32 3HE LYS 32 13.605 -10.011 -2.336 219 HZ1 LYS 32 3HZ LYS 32 13.069 -11.733 -4.598 220 HZ2 LYS 32 1HZ LYS 32 14.567 -11.251 -4.003 221 HZ3 LYS 32 2HZ LYS 32 13.490 -12.165 -3.119 222 H ALA 33 H ALA 33 7.653 -6.490 -1.424 223 HA ALA 33 HA ALA 33 9.475 -4.317 -2.012 224 HB1 ALA 33 1HB ALA 33 7.348 -3.078 -2.671 225 HB2 ALA 33 2HB ALA 33 7.492 -4.655 -3.490 226 HB3 ALA 33 3HB ALA 33 6.404 -4.422 -2.128 227 H ILE 34 H ILE 34 7.636 -5.222 0.833 228 HA ILE 34 HA ILE 34 8.150 -2.507 1.751 229 HB ILE 34 HB ILE 34 6.056 -2.664 3.143 230 HG12 ILE 34 2HG1 ILE 34 4.972 -4.862 1.482 231 HG13 ILE 34 3HG1 ILE 34 6.159 -5.336 2.719 232 HG21 ILE 34 1HG2 ILE 34 4.703 -2.113 1.285 233 HG22 ILE 34 2HG2 ILE 34 6.391 -1.555 1.128 234 HG23 ILE 34 3HG2 ILE 34 5.655 -3.022 0.206 235 HD11 ILE 34 3HD1 ILE 34 4.160 -5.600 3.631 236 HD12 ILE 34 1HD1 ILE 34 4.747 -4.053 4.403 237 HD13 ILE 34 2HD1 ILE 34 3.425 -4.060 3.162 238 H ALA 35 H ALA 35 8.965 -5.721 2.627 239 HA ALA 35 HA ALA 35 8.807 -5.823 5.315 240 HB1 ALA 35 1HB ALA 35 9.336 -7.707 4.280 241 HB2 ALA 35 2HB ALA 35 10.634 -7.023 3.326 242 HB3 ALA 35 3HB ALA 35 11.004 -7.247 4.952 243 H ALA 36 H ALA 36 10.840 -3.667 3.794 244 HA ALA 36 HA ALA 36 12.642 -3.161 6.112 245 HB1 ALA 36 1HB ALA 36 14.375 -2.360 4.774 246 HB2 ALA 36 2HB ALA 36 14.085 -3.918 4.160 247 HB3 ALA 36 3HB ALA 36 13.374 -2.590 3.234 248 H ILE 37 H ILE 37 10.467 -1.881 3.746 249 HA ILE 37 HA ILE 37 10.216 0.772 4.606 250 HB ILE 37 HB ILE 37 9.049 -1.233 2.923 251 HG12 ILE 37 2HG1 ILE 37 9.099 1.764 2.776 252 HG13 ILE 37 3HG1 ILE 37 10.371 0.628 2.306 253 HG21 ILE 37 1HG2 ILE 37 6.828 -0.211 2.736 254 HG22 ILE 37 2HG2 ILE 37 6.954 -1.057 4.232 255 HG23 ILE 37 3HG2 ILE 37 7.026 0.743 4.160 256 HD11 ILE 37 3HD1 ILE 37 8.975 1.620 0.383 257 HD12 ILE 37 1HD1 ILE 37 9.114 -0.193 0.534 258 HD13 ILE 37 2HD1 ILE 37 7.635 0.600 1.038 259 H ILE 38 H ILE 38 8.952 -2.340 5.748 260 HA ILE 38 HA ILE 38 7.236 -1.733 7.717 261 HB ILE 38 HB ILE 38 9.260 -3.818 7.428 262 HG12 ILE 38 2HG1 ILE 38 7.443 -3.947 6.124 263 HG13 ILE 38 3HG1 ILE 38 7.371 -5.236 7.284 264 HG21 ILE 38 1HG2 ILE 38 7.605 -3.532 9.925 265 HG22 ILE 38 2HG2 ILE 38 8.200 -5.081 9.329 266 HG23 ILE 38 3HG2 ILE 38 9.389 -3.764 9.769 267 HD11 ILE 38 3HD1 ILE 38 5.405 -2.868 7.245 268 HD12 ILE 38 1HD1 ILE 38 5.217 -4.491 6.668 269 HD13 ILE 38 2HD1 ILE 38 5.427 -4.122 8.401 270 H LYS 39 H LYS 39 10.812 -1.085 7.738 271 HA LYS 39 HA LYS 39 10.999 -0.821 10.535 272 HB2 LYS 39 2HB LYS 39 12.782 0.144 8.269 273 HB3 LYS 39 3HB LYS 39 13.163 0.261 10.017 274 HG2 LYS 39 2HG LYS 39 12.633 -2.304 10.058 275 HG3 LYS 39 3HG LYS 39 13.071 -2.217 8.351 276 HD2 LYS 39 2HD LYS 39 15.217 -1.251 8.791 277 HD3 LYS 39 3HD LYS 39 14.836 -0.962 10.493 278 HE2 LYS 39 2HE LYS 39 14.844 -3.185 11.095 279 HE3 LYS 39 3HE LYS 39 14.669 -3.765 9.429 280 HZ1 LYS 39 3HZ LYS 39 16.750 -4.282 9.763 281 HZ2 LYS 39 1HZ LYS 39 16.982 -2.894 9.092 282 HZ3 LYS 39 2HZ LYS 39 17.086 -2.917 10.707 283 H ALA 40 H ALA 40 9.780 1.516 8.225 284 HA ALA 40 HA ALA 40 11.167 3.651 9.237 285 HB1 ALA 40 1HB ALA 40 10.212 3.279 6.854 286 HB2 ALA 40 2HB ALA 40 8.608 3.489 7.524 287 HB3 ALA 40 3HB ALA 40 9.714 4.849 7.457 288 H GLY 41 H GLY 41 8.268 2.337 10.318 289 HA2 GLY 41 2HA GLY 41 7.801 4.390 12.401 290 HA3 GLY 41 3HA GLY 41 6.528 4.138 11.162 291 H GLY 42 H GLY 42 8.572 1.535 12.269 292 HA2 GLY 42 2HA GLY 42 8.417 -0.167 13.672 293 HA3 GLY 42 3HA GLY 42 7.245 0.734 14.625 294 H HIS 43 H HIS 43 7.189 -0.540 11.246 295 HA HIS 43 HA HIS 43 4.302 -1.031 11.519 296 HB2 HIS 43 2HB HIS 43 6.064 -1.561 9.197 297 HB3 HIS 43 3HB HIS 43 4.328 -1.513 9.183 298 HD1 HIS 43 1HD HIS 43 3.673 1.272 10.584 299 HD2 HIS 43 2HD HIS 43 6.770 0.376 7.929 300 HE1 HIS 43 1HE HIS 43 4.297 3.493 9.375 301 HE2 HIS 43 2HE HIS 43 6.138 3.018 7.823 302 HN1 NH2 44 HN1 NH2 44 6.698 -2.858 12.477 303 H1 ACE 45 H1 ACE 45 -7.656 7.637 4.415 304 H2 ACE 45 H2 ACE 45 -7.790 5.908 4.060 305 H3 ACE 45 H3 ACE 45 -8.781 6.549 5.401 306 H ALA 46 H ALA 46 -6.821 8.313 6.211 307 HA ALA 46 HA ALA 46 -4.363 6.929 6.953 308 HB1 ALA 46 1HB ALA 46 -4.765 9.379 6.612 309 HB2 ALA 46 2HB ALA 46 -5.582 9.464 8.183 310 HB3 ALA 46 3HB ALA 46 -3.880 9.003 8.059 311 H LYS 47 H LYS 47 -7.400 7.253 8.814 312 HA LYS 47 HA LYS 47 -6.078 6.119 11.246 313 HB2 LYS 47 2HB LYS 47 -8.133 7.634 11.289 314 HB3 LYS 47 3HB LYS 47 -9.092 6.299 10.684 315 HG2 LYS 47 2HG LYS 47 -8.386 4.830 12.507 316 HG3 LYS 47 3HG LYS 47 -7.419 6.189 13.167 317 HD2 LYS 47 2HD LYS 47 -10.349 6.463 12.742 318 HD3 LYS 47 3HD LYS 47 -9.690 5.865 14.256 319 HE2 LYS 47 2HE LYS 47 -8.308 8.067 14.246 320 HE3 LYS 47 3HE LYS 47 -9.625 8.581 13.176 321 HZ1 LYS 47 3HZ LYS 47 -11.167 8.046 14.896 322 HZ2 LYS 47 1HZ LYS 47 -9.932 7.656 15.919 323 HZ3 LYS 47 2HZ LYS 47 -10.063 9.158 15.478 324 H ALA 48 H ALA 48 -8.038 4.996 8.616 325 HA ALA 48 HA ALA 48 -8.406 2.247 9.175 326 HB1 ALA 48 1HB ALA 48 -8.973 2.131 6.771 327 HB2 ALA 48 2HB ALA 48 -9.670 3.615 7.434 328 HB3 ALA 48 3HB ALA 48 -8.188 3.623 6.454 329 H ALA 49 H ALA 49 -5.823 4.013 7.480 330 HA ALA 49 HA ALA 49 -4.057 1.837 6.912 331 HB1 ALA 49 1HB ALA 49 -3.729 4.763 7.382 332 HB2 ALA 49 2HB ALA 49 -2.449 3.732 6.822 333 HB3 ALA 49 3HB ALA 49 -3.862 3.901 5.763 334 H ALA 50 H ALA 50 -3.950 4.151 9.759 335 HA ALA 50 HA ALA 50 -1.846 2.757 10.909 336 HB1 ALA 50 1HB ALA 50 -3.224 3.777 13.009 337 HB2 ALA 50 2HB ALA 50 -2.188 4.706 11.843 338 HB3 ALA 50 3HB ALA 50 -3.946 4.804 11.739 339 H ALA 51 H ALA 51 -5.291 2.272 11.328 340 HA ALA 51 HA ALA 51 -5.131 0.362 13.249 341 HB1 ALA 51 1HB ALA 51 -7.220 0.787 11.024 342 HB2 ALA 51 2HB ALA 51 -7.496 -0.487 12.121 343 HB3 ALA 51 3HB ALA 51 -7.319 1.181 12.797 344 H ALA 52 H ALA 52 -5.099 -0.183 9.726 345 HA ALA 52 HA ALA 52 -5.031 -2.952 9.815 346 HB1 ALA 52 1HB ALA 52 -5.523 -1.560 7.756 347 HB2 ALA 52 2HB ALA 52 -3.950 -0.866 7.825 348 HB3 ALA 52 3HB ALA 52 -4.157 -2.599 7.450 349 H ILE 53 H ILE 53 -2.452 -0.492 9.740 350 HA ILE 53 HA ILE 53 -0.322 -2.267 9.506 351 HB ILE 53 HB ILE 53 -0.501 0.445 10.762 352 HG12 ILE 53 2HG1 ILE 53 -1.103 0.379 8.369 353 HG13 ILE 53 3HG1 ILE 53 0.405 1.259 8.679 354 HG21 ILE 53 1HG2 ILE 53 2.051 -0.971 10.159 355 HG22 ILE 53 2HG2 ILE 53 1.728 0.732 10.714 356 HG23 ILE 53 3HG2 ILE 53 1.373 -0.614 11.775 357 HD11 ILE 53 3HD1 ILE 53 0.623 -0.058 6.772 358 HD12 ILE 53 1HD1 ILE 53 1.733 -0.565 8.009 359 HD13 ILE 53 2HD1 ILE 53 0.334 -1.653 7.735 360 H LYS 54 H LYS 54 -1.955 -0.844 12.345 361 HA LYS 54 HA LYS 54 -0.371 -2.320 14.345 362 HB2 LYS 54 2HB LYS 54 -1.729 -0.095 14.532 363 HB3 LYS 54 3HB LYS 54 -3.138 -1.114 14.786 364 HG2 LYS 54 2HG LYS 54 -2.259 -0.295 16.880 365 HG3 LYS 54 3HG LYS 54 -2.307 -2.069 16.705 366 HD2 LYS 54 2HD LYS 54 0.080 -2.161 16.357 367 HD3 LYS 54 3HD LYS 54 0.186 -0.452 16.325 368 HE2 LYS 54 2HE LYS 54 -0.690 -0.621 18.855 369 HE3 LYS 54 3HE LYS 54 -0.641 -2.348 18.616 370 HZ1 LYS 54 3HZ LYS 54 1.474 -0.911 19.515 371 HZ2 LYS 54 1HZ LYS 54 1.675 -2.263 18.597 372 HZ3 LYS 54 2HZ LYS 54 1.817 -0.745 18.005 373 H ALA 55 H ALA 55 -2.749 -3.432 12.512 374 HA ALA 55 HA ALA 55 -3.500 -5.822 14.214 375 HB1 ALA 55 1HB ALA 55 -4.957 -6.431 12.213 376 HB2 ALA 55 2HB ALA 55 -5.168 -4.722 12.461 377 HB3 ALA 55 3HB ALA 55 -4.053 -5.319 11.223 378 H ILE 56 H ILE 56 -1.454 -5.271 11.336 379 HA ILE 56 HA ILE 56 -0.513 -7.930 11.461 380 HB ILE 56 HB ILE 56 0.761 -7.330 9.561 381 HG12 ILE 56 2HG1 ILE 56 -0.393 -4.573 9.720 382 HG13 ILE 56 3HG1 ILE 56 1.274 -5.081 9.926 383 HG21 ILE 56 1HG2 ILE 56 -1.141 -7.251 8.094 384 HG22 ILE 56 2HG2 ILE 56 -1.767 -8.065 9.669 385 HG23 ILE 56 3HG2 ILE 56 -2.044 -6.404 9.229 386 HD11 ILE 56 3HD1 ILE 56 1.127 -5.985 7.508 387 HD12 ILE 56 1HD1 ILE 56 -0.387 -5.143 7.281 388 HD13 ILE 56 2HD1 ILE 56 1.131 -4.255 7.829 389 H ALA 57 H ALA 57 0.857 -4.792 12.541 390 HA ALA 57 HA ALA 57 3.578 -5.228 12.612 391 HB1 ALA 57 1HB ALA 57 1.941 -3.674 14.553 392 HB2 ALA 57 2HB ALA 57 3.699 -3.621 14.328 393 HB3 ALA 57 3HB ALA 57 2.608 -3.232 12.963 394 H ALA 58 H ALA 58 1.648 -7.460 14.574 395 HA ALA 58 HA ALA 58 4.199 -8.182 15.761 396 HB1 ALA 58 1HB ALA 58 3.144 -9.049 17.553 397 HB2 ALA 58 2HB ALA 58 2.040 -7.787 17.246 398 HB3 ALA 58 3HB ALA 58 1.584 -9.442 16.671 399 H ILE 59 H ILE 59 1.541 -9.148 13.753 400 HA ILE 59 HA ILE 59 2.197 -11.863 13.069 401 HB ILE 59 HB ILE 59 0.439 -9.626 12.352 402 HG12 ILE 59 2HG1 ILE 59 0.025 -12.561 12.326 403 HG13 ILE 59 3HG1 ILE 59 -0.440 -11.326 13.544 404 HG21 ILE 59 1HG2 ILE 59 -0.102 -10.345 10.141 405 HG22 ILE 59 2HG2 ILE 59 1.471 -9.576 10.188 406 HG23 ILE 59 3HG2 ILE 59 1.353 -11.422 10.202 407 HD11 ILE 59 3HD1 ILE 59 -2.258 -11.998 12.429 408 HD12 ILE 59 1HD1 ILE 59 -1.993 -10.255 12.012 409 HD13 ILE 59 2HD1 ILE 59 -1.741 -11.683 10.863 410 H ILE 60 H ILE 60 3.338 -8.763 11.769 411 HA ILE 60 HA ILE 60 5.010 -9.405 9.860 412 HB ILE 60 HB ILE 60 5.632 -7.672 12.264 413 HG12 ILE 60 2HG1 ILE 60 3.808 -6.722 11.043 414 HG13 ILE 60 3HG1 ILE 60 5.224 -5.750 10.688 415 HG21 ILE 60 1HG2 ILE 60 7.784 -8.102 11.474 416 HG22 ILE 60 2HG2 ILE 60 7.384 -7.625 9.854 417 HG23 ILE 60 3HG2 ILE 60 7.207 -6.427 11.055 418 HD11 ILE 60 3HD1 ILE 60 3.887 -7.677 8.842 419 HD12 ILE 60 1HD1 ILE 60 3.904 -5.952 8.722 420 HD13 ILE 60 2HD1 ILE 60 5.460 -6.992 8.529 421 H LYS 61 H LYS 61 5.805 -10.127 13.293 422 HA LYS 61 HA LYS 61 8.394 -11.035 12.921 423 HB2 LYS 61 2HB LYS 61 7.351 -10.302 14.992 424 HB3 LYS 61 3HB LYS 61 6.257 -11.718 14.922 425 HG2 LYS 61 2HG LYS 61 7.981 -13.308 15.057 426 HG3 LYS 61 3HG LYS 61 9.250 -12.111 14.852 427 HD2 LYS 61 2HD LYS 61 8.646 -11.013 16.958 428 HD3 LYS 61 3HD LYS 61 7.354 -12.100 17.267 429 HE2 LYS 61 2HE LYS 61 10.260 -12.998 16.740 430 HE3 LYS 61 3HE LYS 61 9.576 -12.556 18.315 431 HZ1 LYS 61 3HZ LYS 61 8.166 -14.546 18.178 432 HZ2 LYS 61 1HZ LYS 61 8.360 -14.698 16.642 433 HZ3 LYS 61 2HZ LYS 61 9.579 -15.074 17.623 434 H ALA 62 H ALA 62 5.411 -12.699 11.991 435 HA ALA 62 HA ALA 62 5.774 -15.334 12.757 436 HB1 ALA 62 1HB ALA 62 4.612 -14.201 10.281 437 HB2 ALA 62 2HB ALA 62 4.143 -15.820 10.974 438 HB3 ALA 62 3HB ALA 62 3.619 -14.455 11.723 439 H GLY 63 H GLY 63 6.692 -14.160 9.617 440 HA2 GLY 63 2HA GLY 63 8.911 -16.177 9.374 441 HA3 GLY 63 3HA GLY 63 7.814 -15.785 8.025 442 H GLY 64 H GLY 64 9.011 -13.390 10.295 443 HA2 GLY 64 2HA GLY 64 10.114 -11.479 9.826 444 HA3 GLY 64 3HA GLY 64 11.211 -12.421 8.785 445 H HIS 65 H HIS 65 7.919 -11.093 8.751 446 HA HIS 65 HA HIS 65 7.825 -10.496 5.915 447 HB2 HIS 65 2HB HIS 65 5.899 -9.452 7.963 448 HB3 HIS 65 3HB HIS 65 5.715 -9.705 6.209 449 HD1 HIS 65 1HD HIS 65 6.521 -12.462 5.464 450 HD2 HIS 65 2HD HIS 65 4.716 -11.500 9.254 451 HE1 HIS 65 1HE HIS 65 5.058 -14.346 6.076 452 HE2 HIS 65 2HE HIS 65 3.940 -13.777 8.348 453 HN1 NH2 66 HN1 NH2 66 10.167 -9.069 7.556 454 H1 ACE 67 H1 ACE 67 8.250 -18.276 5.407 455 H2 ACE 67 H2 ACE 67 7.641 -17.405 6.693 456 H3 ACE 67 H3 ACE 67 6.979 -19.122 6.465 457 H ALA 68 H ALA 68 6.890 -18.731 3.475 458 HA ALA 68 HA ALA 68 5.253 -16.779 2.628 459 HB1 ALA 68 1HB ALA 68 6.416 -18.501 1.277 460 HB2 ALA 68 2HB ALA 68 5.071 -19.602 1.546 461 HB3 ALA 68 3HB ALA 68 4.853 -18.074 0.724 462 H LYS 69 H LYS 69 4.286 -19.964 3.977 463 HA LYS 69 HA LYS 69 1.530 -20.225 4.309 464 HB2 LYS 69 2HB LYS 69 3.323 -21.570 5.160 465 HB3 LYS 69 3HB LYS 69 3.692 -20.410 6.366 466 HG2 LYS 69 2HG LYS 69 1.090 -20.678 7.035 467 HG3 LYS 69 3HG LYS 69 1.191 -22.064 5.932 468 HD2 LYS 69 2HD LYS 69 3.184 -22.931 7.218 469 HD3 LYS 69 3HD LYS 69 3.142 -21.483 8.168 470 HE2 LYS 69 2HE LYS 69 0.608 -22.313 8.694 471 HE3 LYS 69 3HE LYS 69 1.086 -23.776 7.879 472 HZ1 LYS 69 3HZ LYS 69 2.875 -23.937 9.629 473 HZ2 LYS 69 1HZ LYS 69 2.193 -22.565 10.329 474 HZ3 LYS 69 2HZ LYS 69 1.398 -24.014 10.267 475 H ALA 70 H ALA 70 3.586 -18.204 6.237 476 HA ALA 70 HA ALA 70 1.563 -17.024 7.850 477 HB1 ALA 70 1HB ALA 70 3.874 -17.645 8.517 478 HB2 ALA 70 2HB ALA 70 4.489 -16.191 7.563 479 HB3 ALA 70 3HB ALA 70 3.400 -16.067 9.043 480 H ALA 71 H ALA 71 3.318 -16.068 4.953 481 HA ALA 71 HA ALA 71 2.650 -13.268 4.954 482 HB1 ALA 71 1HB ALA 71 4.506 -14.095 3.390 483 HB2 ALA 71 2HB ALA 71 3.356 -15.185 2.701 484 HB3 ALA 71 3HB ALA 71 3.064 -13.353 2.586 485 H ALA 72 H ALA 72 1.478 -16.053 3.105 486 HA ALA 72 HA ALA 72 -0.911 -14.951 2.089 487 HB1 ALA 72 1HB ALA 72 0.180 -17.098 1.558 488 HB2 ALA 72 2HB ALA 72 -0.628 -17.874 2.880 489 HB3 ALA 72 3HB ALA 72 -1.635 -17.156 1.659 490 H ALA 73 H ALA 73 -0.623 -16.541 5.153 491 HA ALA 73 HA ALA 73 -3.298 -15.990 6.195 492 HB1 ALA 73 1HB ALA 73 -1.758 -17.502 7.161 493 HB2 ALA 73 2HB ALA 73 -0.533 -16.196 7.363 494 HB3 ALA 73 3HB ALA 73 -2.133 -16.058 8.254 495 H ALA 74 H ALA 74 -0.403 -13.866 6.734 496 HA ALA 74 HA ALA 74 -1.602 -11.842 8.169 497 HB1 ALA 74 1HB ALA 74 0.169 -10.459 7.204 498 HB2 ALA 74 2HB ALA 74 0.755 -11.948 8.092 499 HB3 ALA 74 3HB ALA 74 0.769 -11.847 6.366 500 H ILE 75 H ILE 75 -0.880 -12.068 4.701 501 HA ILE 75 HA ILE 75 -2.223 -9.727 3.823 502 HB ILE 75 HB ILE 75 -1.737 -12.398 2.349 503 HG12 ILE 75 2HG1 ILE 75 0.261 -11.387 3.144 504 HG13 ILE 75 3HG1 ILE 75 0.013 -11.215 1.347 505 HG21 ILE 75 1HG2 ILE 75 -2.158 -11.304 0.258 506 HG22 ILE 75 2HG2 ILE 75 -3.580 -11.314 1.195 507 HG23 ILE 75 3HG2 ILE 75 -2.932 -9.876 1.221 508 HD11 ILE 75 3HD1 ILE 75 1.139 -9.303 1.971 509 HD12 ILE 75 1HD1 ILE 75 -0.508 -9.002 1.488 510 HD13 ILE 75 2HD1 ILE 75 -0.078 -8.968 3.263 511 H LYS 76 H LYS 76 -3.722 -12.944 4.342 512 HA LYS 76 HA LYS 76 -6.315 -11.848 3.445 513 HB2 LYS 76 2HB LYS 76 -5.723 -14.228 3.206 514 HB3 LYS 76 3HB LYS 76 -5.585 -14.420 4.933 515 HG2 LYS 76 2HG LYS 76 -7.910 -14.056 5.258 516 HG3 LYS 76 3HG LYS 76 -8.294 -13.797 3.625 517 HD2 LYS 76 2HD LYS 76 -7.279 -16.178 3.183 518 HD3 LYS 76 3HD LYS 76 -7.354 -16.340 4.934 519 HE2 LYS 76 2HE LYS 76 -9.764 -15.723 4.900 520 HE3 LYS 76 3HE LYS 76 -9.709 -15.509 3.180 521 HZ1 LYS 76 3HZ LYS 76 -9.207 -17.895 2.995 522 HZ2 LYS 76 1HZ LYS 76 -9.143 -18.135 4.548 523 HZ3 LYS 76 2HZ LYS 76 -10.548 -17.777 3.787 524 H ALA 77 H ALA 77 -4.708 -11.722 6.350 525 HA ALA 77 HA ALA 77 -6.960 -11.260 8.140 526 HB1 ALA 77 1HB ALA 77 -5.552 -10.666 9.673 527 HB2 ALA 77 2HB ALA 77 -4.805 -12.067 8.901 528 HB3 ALA 77 3HB ALA 77 -4.103 -10.480 8.654 529 H ILE 78 H ILE 78 -4.939 -9.191 5.889 530 HA ILE 78 HA ILE 78 -6.411 -6.911 6.820 531 HB ILE 78 HB ILE 78 -5.017 -5.708 5.184 532 HG12 ILE 78 2HG1 ILE 78 -3.525 -8.230 4.866 533 HG13 ILE 78 3HG1 ILE 78 -4.308 -7.247 3.656 534 HG21 ILE 78 1HG2 ILE 78 -4.562 -6.222 7.766 535 HG22 ILE 78 2HG2 ILE 78 -3.424 -7.381 7.198 536 HG23 ILE 78 3HG2 ILE 78 -3.131 -5.599 6.904 537 HD11 ILE 78 3HD1 ILE 78 -2.011 -6.582 3.329 538 HD12 ILE 78 1HD1 ILE 78 -2.393 -5.397 4.375 539 HD13 ILE 78 2HD1 ILE 78 -1.657 -6.963 4.939 540 H ALA 79 H ALA 79 -6.352 -9.052 4.072 541 HA ALA 79 HA ALA 79 -6.969 -7.597 1.988 542 HB1 ALA 79 1HB ALA 79 -7.965 -10.396 2.603 543 HB2 ALA 79 2HB ALA 79 -7.932 -9.735 0.965 544 HB3 ALA 79 3HB ALA 79 -6.400 -9.825 1.801 545 H ALA 80 H ALA 80 -9.462 -8.128 4.456 546 HA ALA 80 HA ALA 80 -11.502 -6.958 2.627 547 HB1 ALA 80 1HB ALA 80 -13.088 -7.420 4.453 548 HB2 ALA 80 2HB ALA 80 -12.345 -9.012 4.042 549 HB3 ALA 80 3HB ALA 80 -11.672 -8.269 5.369 550 H ILE 81 H ILE 81 -9.630 -6.446 5.591 551 HA ILE 81 HA ILE 81 -10.558 -4.003 6.285 552 HB ILE 81 HB ILE 81 -8.434 -5.845 6.740 553 HG12 ILE 81 2HG1 ILE 81 -9.390 -3.740 8.503 554 HG13 ILE 81 3HG1 ILE 81 -10.168 -5.269 8.255 555 HG21 ILE 81 1HG2 ILE 81 -6.526 -4.544 7.476 556 HG22 ILE 81 2HG2 ILE 81 -6.837 -4.074 5.795 557 HG23 ILE 81 3HG2 ILE 81 -7.399 -3.096 7.236 558 HD11 ILE 81 3HD1 ILE 81 -9.026 -5.390 10.237 559 HD12 ILE 81 1HD1 ILE 81 -7.874 -6.327 9.116 560 HD13 ILE 81 2HD1 ILE 81 -7.633 -4.636 9.654 561 H ILE 82 H ILE 82 -8.615 -4.893 3.449 562 HA ILE 82 HA ILE 82 -7.128 -2.564 3.063 563 HB ILE 82 HB ILE 82 -8.071 -4.781 1.333 564 HG12 ILE 82 2HG1 ILE 82 -6.321 -5.413 2.736 565 HG13 ILE 82 3HG1 ILE 82 -5.582 -5.140 1.147 566 HG21 ILE 82 1HG2 ILE 82 -7.941 -2.812 -0.133 567 HG22 ILE 82 2HG2 ILE 82 -6.160 -2.821 0.132 568 HG23 ILE 82 3HG2 ILE 82 -6.899 -4.282 -0.536 569 HD11 ILE 82 3HD1 ILE 82 -4.699 -2.899 2.142 570 HD12 ILE 82 1HD1 ILE 82 -5.035 -3.852 3.710 571 HD13 ILE 82 2HD1 ILE 82 -3.957 -4.389 2.432 572 H LYS 83 H LYS 83 -10.438 -3.533 1.864 573 HA LYS 83 HA LYS 83 -10.861 -1.253 0.342 574 HB2 LYS 83 2HB LYS 83 -13.134 -2.499 1.810 575 HB3 LYS 83 3HB LYS 83 -13.097 -1.759 0.248 576 HG2 LYS 83 2HG LYS 83 -11.792 -4.458 1.016 577 HG3 LYS 83 3HG LYS 83 -13.362 -4.241 0.172 578 HD2 LYS 83 2HD LYS 83 -10.743 -3.331 -0.958 579 HD3 LYS 83 3HD LYS 83 -11.571 -4.779 -1.430 580 HE2 LYS 83 2HE LYS 83 -13.042 -3.580 -2.777 581 HE3 LYS 83 3HE LYS 83 -13.300 -2.499 -1.413 582 HZ1 LYS 83 3HZ LYS 83 -12.069 -1.299 -3.285 583 HZ2 LYS 83 1HZ LYS 83 -11.100 -1.558 -2.024 584 HZ3 LYS 83 2HZ LYS 83 -10.966 -2.522 -3.338 585 H ALA 84 H ALA 84 -11.002 -1.602 3.883 586 HA ALA 84 HA ALA 84 -12.822 0.433 4.521 587 HB1 ALA 84 1HB ALA 84 -10.720 -0.813 6.219 588 HB2 ALA 84 2HB ALA 84 -12.117 0.241 6.660 589 HB3 ALA 84 3HB ALA 84 -12.321 -1.330 5.877 590 H GLY 85 H GLY 85 -9.651 0.959 3.248 591 HA2 GLY 85 2HA GLY 85 -10.372 3.804 3.609 592 HA3 GLY 85 3HA GLY 85 -8.734 3.391 4.046 593 H GLY 86 H GLY 86 -10.395 1.762 1.100 594 HA2 GLY 86 2HA GLY 86 -9.259 1.478 -0.845 595 HA3 GLY 86 3HA GLY 86 -9.089 3.274 -0.804 596 H HIS 87 H HIS 87 -7.691 0.574 1.119 597 HA HIS 87 HA HIS 87 -5.056 1.695 0.924 598 HB2 HIS 87 2HB HIS 87 -6.022 -0.931 1.983 599 HB3 HIS 87 3HB HIS 87 -4.464 -0.337 2.348 600 HD1 HIS 87 1HD HIS 87 -5.340 2.695 3.214 601 HD2 HIS 87 2HD HIS 87 -7.298 -0.890 4.152 602 HE1 HIS 87 1HE HIS 87 -6.536 3.103 5.429 603 HE2 HIS 87 2HE HIS 87 -7.706 0.876 6.026 604 HN1 NH2 88 HN1 NH2 88 -6.445 0.359 -1.743 605 HN2 NH2 88 HN2 NH2 88 -5.124 -0.586 -2.226 Start of MODEL 6 1 H1 ACE 1 H1 ACE 1 -2.746 12.188 9.119 2 H2 ACE 1 H2 ACE 1 -1.256 12.391 10.095 3 H3 ACE 1 H3 ACE 1 -1.313 12.825 8.327 4 H ALA 2 H ALA 2 -0.660 10.416 10.669 5 HA ALA 2 HA ALA 2 0.602 8.596 10.588 6 HB1 ALA 2 1HB ALA 2 -0.928 6.744 9.668 7 HB2 ALA 2 2HB ALA 2 -1.886 7.946 10.718 8 HB3 ALA 2 3HB ALA 2 -1.938 7.946 9.022 9 H LYS 3 H LYS 3 2.141 10.001 8.968 10 HA LYS 3 HA LYS 3 2.141 9.568 6.238 11 HB2 LYS 3 2HB LYS 3 3.075 11.503 7.641 12 HB3 LYS 3 3HB LYS 3 4.423 10.418 7.891 13 HG2 LYS 3 2HG LYS 3 4.630 10.289 5.360 14 HG3 LYS 3 3HG LYS 3 3.293 11.366 5.205 15 HD2 LYS 3 2HD LYS 3 4.730 13.194 6.208 16 HD3 LYS 3 3HD LYS 3 5.963 11.966 6.530 17 HE2 LYS 3 2HE LYS 3 6.560 13.294 4.514 18 HE3 LYS 3 3HE LYS 3 6.273 11.607 4.136 19 HZ1 LYS 3 3HZ LYS 3 3.853 12.462 3.500 20 HZ2 LYS 3 1HZ LYS 3 4.568 13.942 3.672 21 HZ3 LYS 3 2HZ LYS 3 4.991 12.777 2.561 22 H ALA 4 H ALA 4 4.233 8.124 8.489 23 HA ALA 4 HA ALA 4 5.540 6.373 6.697 24 HB1 ALA 4 1HB ALA 4 5.250 5.798 9.617 25 HB2 ALA 4 2HB ALA 4 6.488 5.255 8.659 26 HB3 ALA 4 3HB ALA 4 6.323 7.011 9.032 27 H ALA 5 H ALA 5 2.386 5.838 8.480 28 HA ALA 5 HA ALA 5 1.860 3.198 7.718 29 HB1 ALA 5 1HB ALA 5 -0.299 5.206 8.162 30 HB2 ALA 5 2HB ALA 5 -0.274 3.630 8.505 31 HB3 ALA 5 3HB ALA 5 0.828 4.586 9.431 32 H ALA 6 H ALA 6 1.229 6.415 6.224 33 HA ALA 6 HA ALA 6 -0.154 5.167 3.993 34 HB1 ALA 6 1HB ALA 6 0.886 8.099 4.441 35 HB2 ALA 6 2HB ALA 6 -0.465 7.455 3.326 36 HB3 ALA 6 3HB ALA 6 -0.565 7.496 5.095 37 H ALA 7 H ALA 7 3.077 5.946 4.498 38 HA ALA 7 HA ALA 7 4.010 5.718 1.665 39 HB1 ALA 7 1HB ALA 7 5.399 6.900 3.465 40 HB2 ALA 7 2HB ALA 7 5.476 5.217 4.336 41 HB3 ALA 7 3HB ALA 7 6.235 5.600 2.883 42 H ALA 8 H ALA 8 3.559 3.471 4.578 43 HA ALA 8 HA ALA 8 4.511 1.363 2.913 44 HB1 ALA 8 1HB ALA 8 3.731 -0.124 4.589 45 HB2 ALA 8 2HB ALA 8 4.392 1.252 5.382 46 HB3 ALA 8 3HB ALA 8 2.534 1.130 5.118 47 H ILE 9 H ILE 9 1.326 2.471 3.619 48 HA ILE 9 HA ILE 9 -0.077 0.488 2.087 49 HB ILE 9 HB ILE 9 -0.417 3.081 3.272 50 HG12 ILE 9 2HG1 ILE 9 -2.550 2.376 4.169 51 HG13 ILE 9 3HG1 ILE 9 -2.561 0.956 3.093 52 HG21 ILE 9 1HG2 ILE 9 -1.283 3.839 1.065 53 HG22 ILE 9 2HG2 ILE 9 -2.398 2.511 1.038 54 HG23 ILE 9 3HG2 ILE 9 -2.602 3.839 2.174 55 HD11 ILE 9 3HD1 ILE 9 -0.210 1.072 4.910 56 HD12 ILE 9 1HD1 ILE 9 -1.801 0.677 5.571 57 HD13 ILE 9 2HD1 ILE 9 -1.138 -0.222 4.161 58 H LYS 10 H LYS 10 0.745 3.704 0.893 59 HA LYS 10 HA LYS 10 0.163 3.119 -1.796 60 HB2 LYS 10 2HB LYS 10 2.217 5.041 -0.673 61 HB3 LYS 10 3HB LYS 10 1.932 5.018 -2.335 62 HG2 LYS 10 2HG LYS 10 -0.637 5.119 -1.678 63 HG3 LYS 10 3HG LYS 10 -0.029 5.342 -0.013 64 HD2 LYS 10 2HD LYS 10 0.261 7.407 -2.174 65 HD3 LYS 10 3HD LYS 10 -0.925 7.313 -0.810 66 HE2 LYS 10 2HE LYS 10 0.764 7.428 0.863 67 HE3 LYS 10 3HE LYS 10 1.983 7.350 -0.387 68 HZ1 LYS 10 3HZ LYS 10 1.171 9.819 0.473 69 HZ2 LYS 10 1HZ LYS 10 1.279 9.365 -1.136 70 HZ3 LYS 10 2HZ LYS 10 -0.134 9.483 -0.423 71 H ALA 11 H ALA 11 2.774 1.718 -0.123 72 HA ALA 11 HA ALA 11 4.252 1.116 -2.560 73 HB1 ALA 11 1HB ALA 11 5.468 1.528 -0.395 74 HB2 ALA 11 2HB ALA 11 4.719 0.176 0.289 75 HB3 ALA 11 3HB ALA 11 5.751 -0.240 -0.959 76 H ILE 12 H ILE 12 1.857 -0.416 -0.488 77 HA ILE 12 HA ILE 12 1.811 -2.667 -2.464 78 HB ILE 12 HB ILE 12 0.393 -3.824 -0.777 79 HG12 ILE 12 2HG1 ILE 12 1.313 -1.681 1.105 80 HG13 ILE 12 3HG1 ILE 12 -0.262 -1.650 0.302 81 HG21 ILE 12 1HG2 ILE 12 2.341 -4.465 0.517 82 HG22 ILE 12 2HG2 ILE 12 2.730 -4.162 -1.125 83 HG23 ILE 12 3HG2 ILE 12 3.233 -2.952 0.098 84 HD11 ILE 12 3HD1 ILE 12 0.532 -4.174 1.770 85 HD12 ILE 12 1HD1 ILE 12 0.002 -2.657 2.621 86 HD13 ILE 12 2HD1 ILE 12 -1.071 -3.475 1.446 87 H ALA 13 H ALA 13 -0.762 -0.185 -1.417 88 HA ALA 13 HA ALA 13 -2.678 -1.248 -2.173 89 HB1 ALA 13 1HB ALA 13 -3.721 0.764 -2.835 90 HB2 ALA 13 2HB ALA 13 -2.482 1.089 -1.451 91 HB3 ALA 13 3HB ALA 13 -2.148 1.553 -3.140 92 H ALA 14 H ALA 14 -0.544 -0.799 -4.975 93 HA ALA 14 HA ALA 14 -2.836 -1.453 -6.686 94 HB1 ALA 14 1HB ALA 14 -1.511 -0.799 -8.421 95 HB2 ALA 14 2HB ALA 14 -1.205 0.494 -7.318 96 HB3 ALA 14 3HB ALA 14 0.020 -0.826 -7.451 97 H ILE 15 H ILE 15 0.424 -2.569 -5.803 98 HA ILE 15 HA ILE 15 0.538 -5.044 -6.667 99 HB ILE 15 HB ILE 15 1.361 -3.502 -4.432 100 HG12 ILE 15 2HG1 ILE 15 2.738 -5.458 -6.307 101 HG13 ILE 15 3HG1 ILE 15 2.509 -3.702 -6.486 102 HG21 ILE 15 1HG2 ILE 15 2.309 -5.103 -2.911 103 HG22 ILE 15 2HG2 ILE 15 0.737 -5.464 -2.981 104 HG23 ILE 15 3HG2 ILE 15 1.831 -6.456 -3.995 105 HD11 ILE 15 3HD1 ILE 15 4.801 -4.050 -5.829 106 HD12 ILE 15 1HD1 ILE 15 4.026 -3.394 -4.401 107 HD13 ILE 15 2HD1 ILE 15 4.308 -5.108 -4.495 108 H ILE 16 H ILE 16 -1.697 -4.079 -4.186 109 HA ILE 16 HA ILE 16 -2.807 -6.563 -3.125 110 HB ILE 16 HB ILE 16 -4.011 -3.883 -3.475 111 HG12 ILE 16 2HG1 ILE 16 -2.549 -3.457 -1.740 112 HG13 ILE 16 3HG1 ILE 16 -3.965 -4.117 -0.889 113 HG21 ILE 16 1HG2 ILE 16 -5.688 -4.461 -1.834 114 HG22 ILE 16 2HG2 ILE 16 -5.763 -5.440 -3.404 115 HG23 ILE 16 3HG2 ILE 16 -5.057 -6.115 -1.922 116 HD11 ILE 16 3HD1 ILE 16 -1.468 -5.621 -1.570 117 HD12 ILE 16 1HD1 ILE 16 -1.732 -4.962 -0.025 118 HD13 ILE 16 2HD1 ILE 16 -2.812 -6.302 -0.599 119 H LYS 17 H LYS 17 -3.300 -4.913 -6.274 120 HA LYS 17 HA LYS 17 -5.648 -6.404 -6.885 121 HB2 LYS 17 2HB LYS 17 -3.570 -5.228 -8.747 122 HB3 LYS 17 3HB LYS 17 -5.216 -5.780 -9.128 123 HG2 LYS 17 2HG LYS 17 -6.104 -4.035 -7.536 124 HG3 LYS 17 3HG LYS 17 -4.472 -3.420 -7.354 125 HD2 LYS 17 2HD LYS 17 -4.356 -3.047 -9.848 126 HD3 LYS 17 3HD LYS 17 -6.041 -3.567 -9.992 127 HE2 LYS 17 2HE LYS 17 -6.789 -1.792 -8.399 128 HE3 LYS 17 3HE LYS 17 -5.009 -1.257 -8.471 129 HZ1 LYS 17 3HZ LYS 17 -4.958 -0.570 -10.355 130 HZ2 LYS 17 1HZ LYS 17 -6.081 -1.452 -10.946 131 HZ3 LYS 17 2HZ LYS 17 -6.408 -0.002 -10.172 132 H ALA 18 H ALA 18 -2.323 -7.288 -7.041 133 HA ALA 18 HA ALA 18 -2.379 -9.084 -9.226 134 HB1 ALA 18 1HB ALA 18 -0.289 -9.026 -7.154 135 HB2 ALA 18 2HB ALA 18 -0.237 -9.723 -8.711 136 HB3 ALA 18 3HB ALA 18 -0.406 -7.968 -8.680 137 H GLY 19 H GLY 19 -3.817 -9.499 -6.131 138 HA2 GLY 19 2HA GLY 19 -4.121 -12.202 -6.432 139 HA3 GLY 19 3HA GLY 19 -2.955 -11.977 -5.142 140 H GLY 20 H GLY 20 -4.629 -13.045 -4.067 141 HA2 GLY 20 2HA GLY 20 -7.173 -12.186 -3.512 142 HA3 GLY 20 3HA GLY 20 -6.330 -13.348 -2.501 143 H HIS 21 H HIS 21 -4.989 -10.128 -2.861 144 HA HIS 21 HA HIS 21 -4.446 -10.426 -0.150 145 HB2 HIS 21 2HB HIS 21 -3.512 -8.133 -1.875 146 HB3 HIS 21 3HB HIS 21 -2.786 -8.656 -0.352 147 HD1 HIS 21 1HD HIS 21 -2.485 -11.879 -1.020 148 HD2 HIS 21 2HD HIS 21 -1.697 -8.629 -3.591 149 HE1 HIS 21 1HE HIS 21 -0.830 -12.713 -2.683 150 HE2 HIS 21 2HE HIS 21 -0.211 -10.734 -4.149 151 HN1 NH2 22 HN1 NH2 22 -7.092 -8.804 -1.535 152 H1 ACE 23 H1 ACE 23 3.576 -19.775 -1.639 153 H2 ACE 23 H2 ACE 23 1.876 -20.140 -1.490 154 H3 ACE 23 H3 ACE 23 2.834 -21.195 -2.491 155 H ALA 24 H ALA 24 0.832 -18.425 -2.463 156 HA ALA 24 HA ALA 24 1.090 -17.722 -5.176 157 HB1 ALA 24 1HB ALA 24 -0.151 -16.402 -2.687 158 HB2 ALA 24 2HB ALA 24 -0.463 -15.684 -4.342 159 HB3 ALA 24 3HB ALA 24 -1.047 -17.239 -3.831 160 H LYS 25 H LYS 25 3.114 -17.140 -5.753 161 HA LYS 25 HA LYS 25 4.863 -15.396 -4.685 162 HB2 LYS 25 2HB LYS 25 4.072 -15.251 -7.594 163 HB3 LYS 25 3HB LYS 25 5.671 -15.028 -6.945 164 HG2 LYS 25 2HG LYS 25 4.218 -17.665 -7.278 165 HG3 LYS 25 3HG LYS 25 5.688 -17.116 -8.122 166 HD2 LYS 25 2HD LYS 25 6.885 -16.880 -6.040 167 HD3 LYS 25 3HD LYS 25 5.718 -17.689 -5.127 168 HE2 LYS 25 2HE LYS 25 5.930 -19.684 -6.692 169 HE3 LYS 25 3HE LYS 25 7.037 -18.736 -7.632 170 HZ1 LYS 25 3HZ LYS 25 8.502 -19.919 -6.062 171 HZ2 LYS 25 1HZ LYS 25 8.267 -18.651 -5.286 172 HZ3 LYS 25 2HZ LYS 25 7.285 -20.025 -4.992 173 H ALA 26 H ALA 26 1.860 -14.089 -6.143 174 HA ALA 26 HA ALA 26 2.603 -11.424 -5.773 175 HB1 ALA 26 1HB ALA 26 -0.148 -12.684 -5.464 176 HB2 ALA 26 2HB ALA 26 0.174 -11.022 -5.756 177 HB3 ALA 26 3HB ALA 26 0.697 -12.177 -6.996 178 H ALA 27 H ALA 27 1.632 -13.627 -3.076 179 HA ALA 27 HA ALA 27 1.700 -11.555 -1.067 180 HB1 ALA 27 1HB ALA 27 1.439 -13.646 0.325 181 HB2 ALA 27 2HB ALA 27 0.584 -13.942 -1.090 182 HB3 ALA 27 3HB ALA 27 2.307 -14.532 -0.924 183 H ALA 28 H ALA 28 4.284 -13.589 -2.532 184 HA ALA 28 HA ALA 28 6.148 -12.492 -0.708 185 HB1 ALA 28 1HB ALA 28 6.805 -14.328 -1.979 186 HB2 ALA 28 2HB ALA 28 6.726 -13.373 -3.485 187 HB3 ALA 28 3HB ALA 28 7.914 -12.943 -2.370 188 H ALA 29 H ALA 29 5.052 -11.090 -3.820 189 HA ALA 29 HA ALA 29 6.979 -8.990 -3.675 190 HB1 ALA 29 1HB ALA 29 4.290 -8.739 -4.995 191 HB2 ALA 29 2HB ALA 29 5.700 -7.828 -5.373 192 HB3 ALA 29 3HB ALA 29 5.869 -9.526 -5.747 193 H ALA 30 H ALA 30 3.852 -8.919 -2.500 194 HA ALA 30 HA ALA 30 3.683 -6.248 -1.412 195 HB1 ALA 30 1HB ALA 30 1.627 -7.512 -1.701 196 HB2 ALA 30 2HB ALA 30 2.199 -8.562 -0.315 197 HB3 ALA 30 3HB ALA 30 1.863 -6.832 -0.160 198 H ILE 31 H ILE 31 4.804 -9.254 0.244 199 HA ILE 31 HA ILE 31 5.489 -8.030 2.707 200 HB ILE 31 HB ILE 31 5.785 -10.689 1.393 201 HG12 ILE 31 2HG1 ILE 31 5.094 -11.375 3.610 202 HG13 ILE 31 3HG1 ILE 31 5.448 -9.800 4.246 203 HG21 ILE 31 1HG2 ILE 31 7.636 -9.602 3.620 204 HG22 ILE 31 2HG2 ILE 31 7.495 -11.304 3.234 205 HG23 ILE 31 3HG2 ILE 31 8.133 -10.293 2.003 206 HD11 ILE 31 3HD1 ILE 31 3.417 -8.901 3.166 207 HD12 ILE 31 1HD1 ILE 31 3.338 -10.251 2.127 208 HD13 ILE 31 2HD1 ILE 31 2.892 -10.547 3.801 209 H LYS 32 H LYS 32 7.523 -8.891 -0.062 210 HA LYS 32 HA LYS 32 9.876 -7.748 1.056 211 HB2 LYS 32 2HB LYS 32 8.931 -8.380 -1.749 212 HB3 LYS 32 3HB LYS 32 10.595 -7.972 -1.329 213 HG2 LYS 32 2HG LYS 32 10.812 -9.879 0.131 214 HG3 LYS 32 3HG LYS 32 9.128 -10.284 0.028 215 HD2 LYS 32 2HD LYS 32 10.253 -11.706 -1.573 216 HD3 LYS 32 3HD LYS 32 9.361 -10.407 -2.407 217 HE2 LYS 32 2HE LYS 32 11.381 -10.486 -3.640 218 HE3 LYS 32 3HE LYS 32 11.761 -9.247 -2.421 219 HZ1 LYS 32 3HZ LYS 32 12.436 -12.033 -2.238 220 HZ2 LYS 32 1HZ LYS 32 13.507 -10.838 -2.503 221 HZ3 LYS 32 2HZ LYS 32 12.853 -10.930 -1.053 222 H ALA 33 H ALA 33 7.127 -5.961 -0.152 223 HA ALA 33 HA ALA 33 8.755 -3.494 -0.688 224 HB1 ALA 33 1HB ALA 33 5.829 -4.266 -1.168 225 HB2 ALA 33 2HB ALA 33 6.530 -2.678 -1.402 226 HB3 ALA 33 3HB ALA 33 7.027 -3.956 -2.458 227 H ILE 34 H ILE 34 6.771 -4.996 1.831 228 HA ILE 34 HA ILE 34 6.718 -2.469 3.180 229 HB ILE 34 HB ILE 34 5.254 -3.224 4.737 230 HG12 ILE 34 2HG1 ILE 34 5.239 -5.864 3.274 231 HG13 ILE 34 3HG1 ILE 34 5.768 -5.650 4.920 232 HG21 ILE 34 1HG2 ILE 34 3.301 -3.319 3.123 233 HG22 ILE 34 2HG2 ILE 34 4.602 -2.131 2.604 234 HG23 ILE 34 3HG2 ILE 34 4.413 -3.746 1.909 235 HD11 ILE 34 3HD1 ILE 34 2.962 -5.735 3.904 236 HD12 ILE 34 1HD1 ILE 34 3.657 -6.488 5.350 237 HD13 ILE 34 2HD1 ILE 34 3.362 -4.772 5.345 238 H ALA 35 H ALA 35 8.163 -5.872 3.826 239 HA ALA 35 HA ALA 35 8.996 -5.852 6.175 240 HB1 ALA 35 1HB ALA 35 9.526 -7.403 4.202 241 HB2 ALA 35 2HB ALA 35 10.883 -6.307 3.797 242 HB3 ALA 35 3HB ALA 35 10.714 -7.250 5.414 243 H ALA 36 H ALA 36 10.804 -3.684 3.785 244 HA ALA 36 HA ALA 36 12.795 -3.114 5.852 245 HB1 ALA 36 1HB ALA 36 13.779 -1.869 4.002 246 HB2 ALA 36 2HB ALA 36 13.213 -3.247 3.190 247 HB3 ALA 36 3HB ALA 36 12.134 -1.866 3.175 248 H ILE 37 H ILE 37 9.993 -1.616 4.373 249 HA ILE 37 HA ILE 37 10.048 0.867 5.389 250 HB ILE 37 HB ILE 37 8.497 -0.834 3.676 251 HG12 ILE 37 2HG1 ILE 37 8.257 2.058 4.263 252 HG13 ILE 37 3HG1 ILE 37 9.516 1.347 3.272 253 HG21 ILE 37 1HG2 ILE 37 6.241 -0.383 3.988 254 HG22 ILE 37 2HG2 ILE 37 6.654 -0.898 5.539 255 HG23 ILE 37 3HG2 ILE 37 6.492 0.845 5.317 256 HD11 ILE 37 3HD1 ILE 37 8.254 1.811 1.444 257 HD12 ILE 37 1HD1 ILE 37 7.136 0.560 2.005 258 HD13 ILE 37 2HD1 ILE 37 7.105 2.354 2.460 259 H ILE 38 H ILE 38 9.045 -2.108 6.851 260 HA ILE 38 HA ILE 38 7.427 -1.080 8.834 261 HB ILE 38 HB ILE 38 9.203 -3.509 8.986 262 HG12 ILE 38 2HG1 ILE 38 7.845 -3.891 7.209 263 HG13 ILE 38 3HG1 ILE 38 7.173 -4.850 8.507 264 HG21 ILE 38 1HG2 ILE 38 7.869 -4.603 10.496 265 HG22 ILE 38 2HG2 ILE 38 8.587 -3.093 11.246 266 HG23 ILE 38 3HG2 ILE 38 6.855 -3.156 10.863 267 HD11 ILE 38 3HD1 ILE 38 5.383 -3.245 8.828 268 HD12 ILE 38 1HD1 ILE 38 6.003 -2.188 7.560 269 HD13 ILE 38 2HD1 ILE 38 5.427 -3.844 7.152 270 H LYS 39 H LYS 39 10.645 -1.109 8.619 271 HA LYS 39 HA LYS 39 11.253 -0.421 11.375 272 HB2 LYS 39 2HB LYS 39 12.696 0.498 8.875 273 HB3 LYS 39 3HB LYS 39 13.378 0.757 10.427 274 HG2 LYS 39 2HG LYS 39 13.373 -1.773 10.767 275 HG3 LYS 39 3HG LYS 39 12.776 -1.940 9.114 276 HD2 LYS 39 2HD LYS 39 15.331 -0.431 9.678 277 HD3 LYS 39 3HD LYS 39 15.196 -2.193 9.526 278 HE2 LYS 39 2HE LYS 39 14.701 -2.060 7.253 279 HE3 LYS 39 3HE LYS 39 14.013 -0.496 7.233 280 HZ1 LYS 39 3HZ LYS 39 16.201 -0.742 6.251 281 HZ2 LYS 39 1HZ LYS 39 16.010 0.487 7.428 282 HZ3 LYS 39 2HZ LYS 39 16.889 -0.880 7.711 283 H ALA 40 H ALA 40 9.772 1.596 8.978 284 HA ALA 40 HA ALA 40 10.655 4.046 9.939 285 HB1 ALA 40 1HB ALA 40 8.190 3.218 8.443 286 HB2 ALA 40 2HB ALA 40 8.611 4.914 8.591 287 HB3 ALA 40 3HB ALA 40 9.658 3.713 7.708 288 H GLY 41 H GLY 41 8.203 2.062 11.378 289 HA2 GLY 41 2HA GLY 41 8.319 3.259 13.764 290 HA3 GLY 41 3HA GLY 41 6.830 3.968 13.067 291 H GLY 42 H GLY 42 5.219 2.730 14.119 292 HA2 GLY 42 2HA GLY 42 5.736 0.206 15.332 293 HA3 GLY 42 3HA GLY 42 4.318 1.184 15.376 294 H HIS 43 H HIS 43 5.506 0.031 12.397 295 HA HIS 43 HA HIS 43 3.001 -0.816 11.651 296 HB2 HIS 43 2HB HIS 43 5.770 -1.261 10.403 297 HB3 HIS 43 3HB HIS 43 4.210 -1.395 9.544 298 HD1 HIS 43 1HD HIS 43 3.142 1.689 10.874 299 HD2 HIS 43 2HD HIS 43 6.473 0.601 8.530 300 HE1 HIS 43 1HE HIS 43 4.036 3.691 10.096 301 HE2 HIS 43 2HE HIS 43 6.100 3.180 8.578 302 HN1 NH2 44 HN1 NH2 44 5.481 -2.759 12.784 303 H1 ACE 45 H1 ACE 45 -8.247 7.057 5.459 304 H2 ACE 45 H2 ACE 45 -7.186 8.331 4.982 305 H3 ACE 45 H3 ACE 45 -6.888 6.728 4.234 306 H ALA 46 H ALA 46 -5.922 8.932 6.493 307 HA ALA 46 HA ALA 46 -4.002 7.498 7.612 308 HB1 ALA 46 1HB ALA 46 -5.657 9.671 8.997 309 HB2 ALA 46 2HB ALA 46 -3.922 9.318 9.397 310 HB3 ALA 46 3HB ALA 46 -4.343 9.883 7.844 311 H LYS 47 H LYS 47 -7.093 7.756 9.243 312 HA LYS 47 HA LYS 47 -6.013 6.243 11.534 313 HB2 LYS 47 2HB LYS 47 -8.821 7.096 10.849 314 HB3 LYS 47 3HB LYS 47 -8.569 6.118 12.260 315 HG2 LYS 47 2HG LYS 47 -6.712 7.741 12.951 316 HG3 LYS 47 3HG LYS 47 -7.390 8.767 11.655 317 HD2 LYS 47 2HD LYS 47 -8.909 7.848 14.081 318 HD3 LYS 47 3HD LYS 47 -8.271 9.430 13.993 319 HE2 LYS 47 2HE LYS 47 -9.675 9.994 12.074 320 HE3 LYS 47 3HE LYS 47 -10.190 8.330 11.887 321 HZ1 LYS 47 3HZ LYS 47 -11.097 8.407 14.066 322 HZ2 LYS 47 1HZ LYS 47 -10.627 9.869 14.345 323 HZ3 LYS 47 2HZ LYS 47 -11.760 9.742 13.165 324 H ALA 48 H ALA 48 -7.288 5.330 8.757 325 HA ALA 48 HA ALA 48 -8.008 2.616 9.482 326 HB1 ALA 48 1HB ALA 48 -8.629 2.178 7.147 327 HB2 ALA 48 2HB ALA 48 -9.509 3.558 7.840 328 HB3 ALA 48 3HB ALA 48 -8.247 3.854 6.777 329 H ALA 49 H ALA 49 -5.382 4.155 7.544 330 HA ALA 49 HA ALA 49 -3.960 1.739 6.870 331 HB1 ALA 49 1HB ALA 49 -2.922 4.579 7.378 332 HB2 ALA 49 2HB ALA 49 -2.098 3.333 6.638 333 HB3 ALA 49 3HB ALA 49 -3.448 4.005 5.776 334 H ALA 50 H ALA 50 -3.932 4.024 9.798 335 HA ALA 50 HA ALA 50 -2.042 2.662 11.340 336 HB1 ALA 50 1HB ALA 50 -4.498 4.150 12.293 337 HB2 ALA 50 2HB ALA 50 -2.937 3.997 13.070 338 HB3 ALA 50 3HB ALA 50 -3.084 4.985 11.553 339 H ALA 51 H ALA 51 -5.589 2.201 11.309 340 HA ALA 51 HA ALA 51 -5.549 0.144 13.268 341 HB1 ALA 51 1HB ALA 51 -7.951 -0.030 12.662 342 HB2 ALA 51 2HB ALA 51 -7.390 1.676 12.561 343 HB3 ALA 51 3HB ALA 51 -7.554 0.760 11.136 344 H ALA 52 H ALA 52 -5.404 -0.072 9.601 345 HA ALA 52 HA ALA 52 -5.204 -2.798 9.600 346 HB1 ALA 52 1HB ALA 52 -5.496 -1.148 7.699 347 HB2 ALA 52 2HB ALA 52 -3.742 -0.914 7.737 348 HB3 ALA 52 3HB ALA 52 -4.369 -2.553 7.426 349 H ILE 53 H ILE 53 -2.508 -0.501 9.948 350 HA ILE 53 HA ILE 53 -0.388 -2.387 10.047 351 HB ILE 53 HB ILE 53 -0.945 0.435 10.890 352 HG12 ILE 53 2HG1 ILE 53 1.247 0.946 9.863 353 HG13 ILE 53 3HG1 ILE 53 1.629 -0.748 9.665 354 HG21 ILE 53 1HG2 ILE 53 -0.296 0.315 12.888 355 HG22 ILE 53 2HG2 ILE 53 0.977 -0.970 12.563 356 HG23 ILE 53 3HG2 ILE 53 1.254 0.614 12.156 357 HD11 ILE 53 3HD1 ILE 53 -0.818 -0.629 8.450 358 HD12 ILE 53 1HD1 ILE 53 -0.318 0.918 8.144 359 HD13 ILE 53 2HD1 ILE 53 0.747 -0.376 7.511 360 H LYS 54 H LYS 54 -2.395 -1.213 12.677 361 HA LYS 54 HA LYS 54 -1.539 -3.010 14.755 362 HB2 LYS 54 2HB LYS 54 -4.022 -1.398 14.235 363 HB3 LYS 54 3HB LYS 54 -3.677 -2.276 15.730 364 HG2 LYS 54 2HG LYS 54 -1.744 -0.957 16.238 365 HG3 LYS 54 3HG LYS 54 -1.830 -0.125 14.680 366 HD2 LYS 54 2HD LYS 54 -4.166 0.620 15.202 367 HD3 LYS 54 3HD LYS 54 -3.976 -0.181 16.749 368 HE2 LYS 54 2HE LYS 54 -1.897 1.477 17.026 369 HE3 LYS 54 3HE LYS 54 -2.540 2.240 15.571 370 HZ1 LYS 54 3HZ LYS 54 -3.232 3.144 17.822 371 HZ2 LYS 54 1HZ LYS 54 -4.464 2.871 16.743 372 HZ3 LYS 54 2HZ LYS 54 -3.994 1.913 18.135 373 H ALA 55 H ALA 55 -2.732 -4.026 12.020 374 HA ALA 55 HA ALA 55 -4.028 -6.384 13.179 375 HB1 ALA 55 1HB ALA 55 -5.286 -6.810 11.245 376 HB2 ALA 55 2HB ALA 55 -5.644 -5.246 12.028 377 HB3 ALA 55 3HB ALA 55 -4.596 -5.289 10.524 378 H ILE 56 H ILE 56 -1.221 -5.132 11.630 379 HA ILE 56 HA ILE 56 -0.452 -7.830 11.026 380 HB ILE 56 HB ILE 56 1.083 -7.119 9.333 381 HG12 ILE 56 2HG1 ILE 56 -0.903 -4.715 9.236 382 HG13 ILE 56 3HG1 ILE 56 0.770 -4.684 9.888 383 HG21 ILE 56 1HG2 ILE 56 -0.807 -7.060 7.563 384 HG22 ILE 56 2HG2 ILE 56 -1.047 -8.319 8.761 385 HG23 ILE 56 3HG2 ILE 56 -1.892 -6.949 9.012 386 HD11 ILE 56 3HD1 ILE 56 0.945 -3.789 7.817 387 HD12 ILE 56 1HD1 ILE 56 1.485 -5.496 7.499 388 HD13 ILE 56 2HD1 ILE 56 -0.173 -5.010 7.051 389 H ALA 57 H ALA 57 0.507 -4.978 12.781 390 HA ALA 57 HA ALA 57 3.115 -5.181 13.126 391 HB1 ALA 57 1HB ALA 57 1.350 -4.592 15.597 392 HB2 ALA 57 2HB ALA 57 2.915 -3.903 15.047 393 HB3 ALA 57 3HB ALA 57 1.568 -3.531 14.126 394 H ALA 58 H ALA 58 1.086 -6.992 15.420 395 HA ALA 58 HA ALA 58 3.565 -8.399 16.520 396 HB1 ALA 58 1HB ALA 58 1.620 -7.760 18.054 397 HB2 ALA 58 2HB ALA 58 0.609 -8.999 17.052 398 HB3 ALA 58 3HB ALA 58 1.966 -9.395 18.026 399 H ILE 59 H ILE 59 1.464 -8.752 13.797 400 HA ILE 59 HA ILE 59 1.684 -11.631 13.629 401 HB ILE 59 HB ILE 59 0.163 -9.405 12.571 402 HG12 ILE 59 2HG1 ILE 59 -1.539 -11.295 12.416 403 HG13 ILE 59 3HG1 ILE 59 -0.300 -12.397 12.968 404 HG21 ILE 59 1HG2 ILE 59 0.678 -11.660 10.642 405 HG22 ILE 59 2HG2 ILE 59 -0.596 -10.350 10.511 406 HG23 ILE 59 3HG2 ILE 59 1.117 -9.937 10.510 407 HD11 ILE 59 3HD1 ILE 59 -1.845 -11.602 14.854 408 HD12 ILE 59 1HD1 ILE 59 -0.031 -11.100 14.970 409 HD13 ILE 59 2HD1 ILE 59 -1.478 -10.067 14.608 410 H ILE 60 H ILE 60 3.298 -8.763 12.412 411 HA ILE 60 HA ILE 60 4.555 -9.831 10.150 412 HB ILE 60 HB ILE 60 4.798 -7.576 11.914 413 HG12 ILE 60 2HG1 ILE 60 4.789 -8.011 8.841 414 HG13 ILE 60 3HG1 ILE 60 3.317 -8.049 9.814 415 HG21 ILE 60 1HG2 ILE 60 6.951 -8.052 9.871 416 HG22 ILE 60 2HG2 ILE 60 6.693 -6.593 10.745 417 HG23 ILE 60 3HG2 ILE 60 7.131 -8.133 11.662 418 HD11 ILE 60 3HD1 ILE 60 3.752 -5.771 10.624 419 HD12 ILE 60 1HD1 ILE 60 5.235 -5.733 9.528 420 HD13 ILE 60 2HD1 ILE 60 3.685 -5.874 8.784 421 H LYS 61 H LYS 61 5.627 -10.211 13.532 422 HA LYS 61 HA LYS 61 7.918 -11.801 12.955 423 HB2 LYS 61 2HB LYS 61 7.951 -11.923 15.218 424 HB3 LYS 61 3HB LYS 61 6.886 -10.571 15.095 425 HG2 LYS 61 2HG LYS 61 4.968 -12.294 15.206 426 HG3 LYS 61 3HG LYS 61 6.115 -13.472 15.644 427 HD2 LYS 61 2HD LYS 61 6.739 -11.868 17.617 428 HD3 LYS 61 3HD LYS 61 5.449 -10.825 17.028 429 HE2 LYS 61 2HE LYS 61 5.169 -13.610 18.229 430 HE3 LYS 61 3HE LYS 61 4.655 -12.040 18.897 431 HZ1 LYS 61 3HZ LYS 61 2.861 -13.185 18.121 432 HZ2 LYS 61 1HZ LYS 61 2.949 -11.941 17.061 433 HZ3 LYS 61 2HZ LYS 61 3.432 -13.283 16.534 434 H ALA 62 H ALA 62 4.629 -12.693 12.430 435 HA ALA 62 HA ALA 62 4.996 -15.465 12.859 436 HB1 ALA 62 1HB ALA 62 2.706 -14.212 12.721 437 HB2 ALA 62 2HB ALA 62 2.920 -14.173 10.936 438 HB3 ALA 62 3HB ALA 62 2.852 -15.650 11.785 439 H GLY 63 H GLY 63 6.058 -13.562 10.304 440 HA2 GLY 63 2HA GLY 63 7.752 -15.846 9.639 441 HA3 GLY 63 3HA GLY 63 6.515 -15.571 8.337 442 H GLY 64 H GLY 64 7.853 -12.808 10.033 443 HA2 GLY 64 2HA GLY 64 9.785 -11.588 9.816 444 HA3 GLY 64 3HA GLY 64 10.450 -12.734 8.619 445 H HIS 65 H HIS 65 7.354 -11.195 8.619 446 HA HIS 65 HA HIS 65 7.229 -10.569 5.848 447 HB2 HIS 65 2HB HIS 65 5.479 -9.584 8.127 448 HB3 HIS 65 3HB HIS 65 5.023 -9.797 6.403 449 HD1 HIS 65 1HD HIS 65 5.786 -12.648 5.681 450 HD2 HIS 65 2HD HIS 65 3.986 -11.228 9.191 451 HE1 HIS 65 1HE HIS 65 4.418 -14.618 6.554 452 HE2 HIS 65 2HE HIS 65 3.251 -13.814 8.656 453 HN1 NH2 66 HN1 NH2 66 8.996 -8.754 8.212 454 H1 ACE 67 H1 ACE 67 8.199 -14.857 1.673 455 H2 ACE 67 H2 ACE 67 7.635 -15.772 3.072 456 H3 ACE 67 H3 ACE 67 8.406 -16.703 1.876 457 H ALA 68 H ALA 68 7.316 -16.711 -0.217 458 HA ALA 68 HA ALA 68 4.805 -15.640 -0.800 459 HB1 ALA 68 1HB ALA 68 6.470 -16.981 -2.318 460 HB2 ALA 68 2HB ALA 68 5.524 -18.332 -2.041 461 HB3 ALA 68 3HB ALA 68 4.736 -16.965 -2.751 462 H LYS 69 H LYS 69 5.572 -18.758 0.886 463 HA LYS 69 HA LYS 69 2.806 -19.295 1.032 464 HB2 LYS 69 2HB LYS 69 5.312 -20.422 2.453 465 HB3 LYS 69 3HB LYS 69 3.739 -21.068 2.834 466 HG2 LYS 69 2HG LYS 69 3.502 -21.775 0.431 467 HG3 LYS 69 3HG LYS 69 5.097 -21.052 0.157 468 HD2 LYS 69 2HD LYS 69 4.629 -23.428 2.009 469 HD3 LYS 69 3HD LYS 69 5.088 -23.573 0.288 470 HE2 LYS 69 2HE LYS 69 7.079 -22.219 0.634 471 HE3 LYS 69 3HE LYS 69 6.865 -22.251 2.361 472 HZ1 LYS 69 3HZ LYS 69 6.738 -24.917 1.214 473 HZ2 LYS 69 1HZ LYS 69 8.170 -23.978 1.120 474 HZ3 LYS 69 2HZ LYS 69 7.472 -24.387 2.485 475 H ALA 70 H ALA 70 5.213 -18.392 3.341 476 HA ALA 70 HA ALA 70 3.690 -18.361 5.669 477 HB1 ALA 70 1HB ALA 70 6.221 -18.257 5.559 478 HB2 ALA 70 2HB ALA 70 6.203 -16.686 4.934 479 HB3 ALA 70 3HB ALA 70 5.520 -16.921 6.578 480 H ALA 71 H ALA 71 4.151 -15.757 3.482 481 HA ALA 71 HA ALA 71 3.264 -13.525 4.707 482 HB1 ALA 71 1HB ALA 71 2.914 -14.392 1.877 483 HB2 ALA 71 2HB ALA 71 2.666 -12.704 2.451 484 HB3 ALA 71 3HB ALA 71 4.257 -13.606 2.579 485 H ALA 72 H ALA 72 1.294 -16.084 3.824 486 HA ALA 72 HA ALA 72 -1.425 -15.010 3.981 487 HB1 ALA 72 1HB ALA 72 -2.059 -17.245 4.908 488 HB2 ALA 72 2HB ALA 72 -0.883 -17.395 3.593 489 HB3 ALA 72 3HB ALA 72 -0.409 -17.570 5.354 490 H ALA 73 H ALA 73 0.751 -15.629 6.718 491 HA ALA 73 HA ALA 73 -1.282 -15.203 8.612 492 HB1 ALA 73 1HB ALA 73 1.598 -14.625 9.039 493 HB2 ALA 73 2HB ALA 73 0.281 -15.051 10.255 494 HB3 ALA 73 3HB ALA 73 0.798 -16.243 9.110 495 H ALA 74 H ALA 74 1.051 -12.673 7.328 496 HA ALA 74 HA ALA 74 -0.352 -10.449 8.352 497 HB1 ALA 74 1HB ALA 74 0.792 -9.370 6.448 498 HB2 ALA 74 2HB ALA 74 1.792 -10.066 7.743 499 HB3 ALA 74 3HB ALA 74 1.699 -10.886 6.234 500 H ILE 75 H ILE 75 -0.128 -11.318 5.187 501 HA ILE 75 HA ILE 75 -1.731 -9.760 3.826 502 HB ILE 75 HB ILE 75 -1.579 -12.649 3.154 503 HG12 ILE 75 2HG1 ILE 75 0.510 -11.078 3.437 504 HG13 ILE 75 3HG1 ILE 75 0.424 -11.848 1.870 505 HG21 ILE 75 1HG2 ILE 75 -2.544 -10.377 1.650 506 HG22 ILE 75 2HG2 ILE 75 -1.924 -11.789 0.761 507 HG23 ILE 75 3HG2 ILE 75 -3.327 -12.047 1.797 508 HD11 ILE 75 3HD1 ILE 75 -0.354 -8.921 2.371 509 HD12 ILE 75 1HD1 ILE 75 1.141 -9.619 1.711 510 HD13 ILE 75 2HD1 ILE 75 -0.375 -9.881 0.831 511 H LYS 76 H LYS 76 -3.183 -12.531 5.311 512 HA LYS 76 HA LYS 76 -5.852 -12.053 4.359 513 HB2 LYS 76 2HB LYS 76 -4.681 -14.059 6.284 514 HB3 LYS 76 3HB LYS 76 -6.370 -14.000 5.807 515 HG2 LYS 76 2HG LYS 76 -5.781 -14.368 3.463 516 HG3 LYS 76 3HG LYS 76 -4.052 -14.335 3.769 517 HD2 LYS 76 2HD LYS 76 -4.483 -16.550 3.669 518 HD3 LYS 76 3HD LYS 76 -4.265 -16.187 5.379 519 HE2 LYS 76 2HE LYS 76 -6.721 -16.254 5.703 520 HE3 LYS 76 3HE LYS 76 -6.875 -16.793 4.002 521 HZ1 LYS 76 3HZ LYS 76 -5.562 -18.287 6.040 522 HZ2 LYS 76 1HZ LYS 76 -7.007 -18.624 5.333 523 HZ3 LYS 76 2HZ LYS 76 -5.599 -18.688 4.457 524 H ALA 77 H ALA 77 -4.185 -10.557 6.975 525 HA ALA 77 HA ALA 77 -6.635 -10.227 8.468 526 HB1 ALA 77 1HB ALA 77 -3.844 -9.130 8.984 527 HB2 ALA 77 2HB ALA 77 -5.392 -8.933 9.968 528 HB3 ALA 77 3HB ALA 77 -4.722 -10.570 9.657 529 H ILE 78 H ILE 78 -4.215 -8.130 6.616 530 HA ILE 78 HA ILE 78 -5.810 -5.889 6.545 531 HB ILE 78 HB ILE 78 -4.485 -5.079 4.778 532 HG12 ILE 78 2HG1 ILE 78 -2.792 -7.614 5.171 533 HG13 ILE 78 3HG1 ILE 78 -3.815 -7.226 3.726 534 HG21 ILE 78 1HG2 ILE 78 -3.890 -5.052 7.358 535 HG22 ILE 78 2HG2 ILE 78 -2.687 -6.148 7.013 536 HG23 ILE 78 3HG2 ILE 78 -2.719 -4.506 6.153 537 HD11 ILE 78 3HD1 ILE 78 -1.545 -6.815 3.117 538 HD12 ILE 78 1HD1 ILE 78 -2.497 -5.310 3.141 539 HD13 ILE 78 2HD1 ILE 78 -1.472 -5.578 4.440 540 H ALA 79 H ALA 79 -5.795 -8.690 4.383 541 HA ALA 79 HA ALA 79 -7.381 -7.921 2.228 542 HB1 ALA 79 1HB ALA 79 -6.304 -10.079 2.563 543 HB2 ALA 79 2HB ALA 79 -7.454 -10.509 3.706 544 HB3 ALA 79 3HB ALA 79 -8.123 -10.233 2.081 545 H ALA 80 H ALA 80 -8.671 -8.096 5.534 546 HA ALA 80 HA ALA 80 -11.331 -7.663 4.394 547 HB1 ALA 80 1HB ALA 80 -10.524 -9.244 6.827 548 HB2 ALA 80 2HB ALA 80 -12.207 -8.688 6.293 549 HB3 ALA 80 3HB ALA 80 -11.190 -9.737 5.300 550 H ILE 81 H ILE 81 -9.136 -5.775 5.123 551 HA ILE 81 HA ILE 81 -10.558 -3.712 6.727 552 HB ILE 81 HB ILE 81 -8.215 -5.256 7.331 553 HG12 ILE 81 2HG1 ILE 81 -9.652 -3.120 8.846 554 HG13 ILE 81 3HG1 ILE 81 -9.990 -4.863 8.781 555 HG21 ILE 81 1HG2 ILE 81 -7.763 -2.385 7.477 556 HG22 ILE 81 2HG2 ILE 81 -6.586 -3.659 7.821 557 HG23 ILE 81 3HG2 ILE 81 -6.933 -3.367 6.172 558 HD11 ILE 81 3HD1 ILE 81 -8.614 -4.478 10.725 559 HD12 ILE 81 1HD1 ILE 81 -7.658 -5.310 9.519 560 HD13 ILE 81 2HD1 ILE 81 -7.326 -3.644 9.941 561 H ILE 82 H ILE 82 -8.565 -4.530 4.015 562 HA ILE 82 HA ILE 82 -7.804 -2.098 2.971 563 HB ILE 82 HB ILE 82 -8.163 -4.737 1.907 564 HG12 ILE 82 2HG1 ILE 82 -5.844 -2.965 1.185 565 HG13 ILE 82 3HG1 ILE 82 -5.799 -3.568 2.846 566 HG21 ILE 82 1HG2 ILE 82 -7.503 -4.204 -0.274 567 HG22 ILE 82 2HG2 ILE 82 -9.038 -3.501 -0.020 568 HG23 ILE 82 3HG2 ILE 82 -7.595 -2.468 -0.030 569 HD11 ILE 82 3HD1 ILE 82 -5.932 -5.853 2.220 570 HD12 ILE 82 1HD1 ILE 82 -5.833 -5.490 0.570 571 HD13 ILE 82 2HD1 ILE 82 -4.487 -4.955 1.518 572 H LYS 83 H LYS 83 -10.843 -3.374 3.117 573 HA LYS 83 HA LYS 83 -12.298 -1.871 1.119 574 HB2 LYS 83 2HB LYS 83 -14.303 -2.552 2.307 575 HB3 LYS 83 3HB LYS 83 -13.267 -3.889 2.054 576 HG2 LYS 83 2HG LYS 83 -12.530 -3.480 4.560 577 HG3 LYS 83 3HG LYS 83 -13.793 -2.301 4.590 578 HD2 LYS 83 2HD LYS 83 -15.400 -4.273 3.901 579 HD3 LYS 83 3HD LYS 83 -14.002 -5.338 3.941 580 HE2 LYS 83 2HE LYS 83 -13.611 -4.681 6.351 581 HE3 LYS 83 3HE LYS 83 -15.084 -3.707 6.287 582 HZ1 LYS 83 3HZ LYS 83 -15.825 -5.646 7.162 583 HZ2 LYS 83 1HZ LYS 83 -16.196 -5.804 5.588 584 HZ3 LYS 83 2HZ LYS 83 -15.000 -6.640 6.024 585 H ALA 84 H ALA 84 -10.897 -0.594 3.918 586 HA ALA 84 HA ALA 84 -12.631 1.668 4.322 587 HB1 ALA 84 1HB ALA 84 -10.910 2.268 5.919 588 HB2 ALA 84 2HB ALA 84 -11.261 0.535 6.086 589 HB3 ALA 84 3HB ALA 84 -9.853 0.930 5.246 590 H GLY 85 H GLY 85 -10.098 1.171 1.860 591 HA2 GLY 85 2HA GLY 85 -10.355 3.664 0.809 592 HA3 GLY 85 3HA GLY 85 -9.191 3.804 2.151 593 H GLY 86 H GLY 86 -7.839 4.425 0.223 594 HA2 GLY 86 2HA GLY 86 -6.905 2.464 -1.658 595 HA3 GLY 86 3HA GLY 86 -6.276 4.121 -1.392 596 H HIS 87 H HIS 87 -6.728 1.562 0.845 597 HA HIS 87 HA HIS 87 -4.003 0.628 1.468 598 HB2 HIS 87 2HB HIS 87 -6.780 -0.617 1.601 599 HB3 HIS 87 3HB HIS 87 -5.355 -1.157 2.473 600 HD1 HIS 87 1HD HIS 87 -5.765 2.506 2.752 601 HD2 HIS 87 2HD HIS 87 -7.485 -0.959 4.515 602 HE1 HIS 87 1HE HIS 87 -6.677 3.175 5.058 603 HE2 HIS 87 2HE HIS 87 -7.645 1.156 6.079 604 HN1 NH2 88 HN1 NH2 88 -5.979 0.113 -1.489 605 HN2 NH2 88 HN2 NH2 88 -4.873 -1.239 -1.860 Start of MODEL 7 1 H1 ACE 1 H1 ACE 1 3.249 8.701 13.522 2 H2 ACE 1 H2 ACE 1 3.656 7.048 13.974 3 H3 ACE 1 H3 ACE 1 4.490 7.939 12.551 4 H ALA 2 H ALA 2 1.595 8.783 12.459 5 HA ALA 2 HA ALA 2 0.314 6.670 10.977 6 HB1 ALA 2 1HB ALA 2 -0.935 9.343 11.164 7 HB2 ALA 2 2HB ALA 2 -1.631 7.736 11.178 8 HB3 ALA 2 3HB ALA 2 -0.829 8.272 12.657 9 H LYS 3 H LYS 3 1.882 9.502 10.105 10 HA LYS 3 HA LYS 3 1.330 9.379 7.215 11 HB2 LYS 3 2HB LYS 3 3.628 10.633 8.835 12 HB3 LYS 3 3HB LYS 3 3.485 10.747 7.037 13 HG2 LYS 3 2HG LYS 3 1.679 11.978 6.938 14 HG3 LYS 3 3HG LYS 3 1.136 11.635 8.553 15 HD2 LYS 3 2HD LYS 3 1.891 13.899 8.485 16 HD3 LYS 3 3HD LYS 3 3.042 13.054 9.453 17 HE2 LYS 3 2HE LYS 3 4.058 12.829 6.825 18 HE3 LYS 3 3HE LYS 3 3.347 14.433 6.882 19 HZ1 LYS 3 3HZ LYS 3 4.853 14.986 8.724 20 HZ2 LYS 3 1HZ LYS 3 5.253 13.490 8.914 21 HZ3 LYS 3 2HZ LYS 3 5.741 14.204 7.552 22 H ALA 4 H ALA 4 3.620 7.611 9.103 23 HA ALA 4 HA ALA 4 4.956 6.467 6.791 24 HB1 ALA 4 1HB ALA 4 5.163 5.867 9.777 25 HB2 ALA 4 2HB ALA 4 6.010 4.870 8.531 26 HB3 ALA 4 3HB ALA 4 6.377 6.577 8.666 27 H ALA 5 H ALA 5 2.395 5.390 9.025 28 HA ALA 5 HA ALA 5 1.926 2.834 7.840 29 HB1 ALA 5 1HB ALA 5 0.011 4.924 9.044 30 HB2 ALA 5 2HB ALA 5 -0.145 3.086 8.879 31 HB3 ALA 5 3HB ALA 5 1.027 3.746 9.878 32 H ALA 6 H ALA 6 0.435 6.121 7.139 33 HA ALA 6 HA ALA 6 -0.957 5.214 4.913 34 HB1 ALA 6 1HB ALA 6 -0.024 8.003 5.714 35 HB2 ALA 6 2HB ALA 6 -1.275 7.685 4.412 36 HB3 ALA 6 3HB ALA 6 -1.515 7.329 6.076 37 H ALA 7 H ALA 7 2.525 6.154 4.857 38 HA ALA 7 HA ALA 7 2.723 6.343 2.085 39 HB1 ALA 7 1HB ALA 7 4.263 7.477 3.576 40 HB2 ALA 7 2HB ALA 7 4.543 6.026 4.520 41 HB3 ALA 7 3HB ALA 7 5.186 6.170 2.857 42 H ALA 8 H ALA 8 3.585 3.794 4.458 43 HA ALA 8 HA ALA 8 4.421 1.806 2.685 44 HB1 ALA 8 1HB ALA 8 2.886 1.424 5.253 45 HB2 ALA 8 2HB ALA 8 4.077 0.227 4.561 46 HB3 ALA 8 3HB ALA 8 4.682 1.720 5.113 47 H ILE 9 H ILE 9 1.236 2.365 3.987 48 HA ILE 9 HA ILE 9 -0.339 0.471 2.582 49 HB ILE 9 HB ILE 9 -1.035 3.130 3.742 50 HG12 ILE 9 2HG1 ILE 9 -0.736 1.846 5.553 51 HG13 ILE 9 3HG1 ILE 9 -2.471 1.853 5.330 52 HG21 ILE 9 1HG2 ILE 9 -2.762 1.222 2.160 53 HG22 ILE 9 2HG2 ILE 9 -3.392 2.370 3.440 54 HG23 ILE 9 3HG2 ILE 9 -2.599 2.971 2.058 55 HD11 ILE 9 3HD1 ILE 9 -1.789 -0.271 5.952 56 HD12 ILE 9 1HD1 ILE 9 -2.456 -0.445 4.355 57 HD13 ILE 9 2HD1 ILE 9 -0.658 -0.497 4.824 58 H LYS 10 H LYS 10 0.422 3.876 1.536 59 HA LYS 10 HA LYS 10 -1.073 3.769 -0.701 60 HB2 LYS 10 2HB LYS 10 0.013 5.748 0.292 61 HB3 LYS 10 3HB LYS 10 1.580 5.351 -0.318 62 HG2 LYS 10 2HG LYS 10 0.963 5.564 -2.569 63 HG3 LYS 10 3HG LYS 10 -0.744 5.691 -2.148 64 HD2 LYS 10 2HD LYS 10 -0.322 7.882 -1.099 65 HD3 LYS 10 3HD LYS 10 1.367 7.789 -1.585 66 HE2 LYS 10 2HE LYS 10 0.501 7.538 -4.015 67 HE3 LYS 10 3HE LYS 10 -1.038 8.112 -3.333 68 HZ1 LYS 10 3HZ LYS 10 0.248 10.025 -4.011 69 HZ2 LYS 10 1HZ LYS 10 0.040 9.862 -2.377 70 HZ3 LYS 10 2HZ LYS 10 1.509 9.511 -3.027 71 H ALA 11 H ALA 11 2.161 2.622 -0.359 72 HA ALA 11 HA ALA 11 2.817 2.333 -3.323 73 HB1 ALA 11 1HB ALA 11 4.022 1.495 -0.581 74 HB2 ALA 11 2HB ALA 11 4.558 0.760 -2.131 75 HB3 ALA 11 3HB ALA 11 4.731 2.521 -1.801 76 H ILE 12 H ILE 12 1.542 0.189 -0.542 77 HA ILE 12 HA ILE 12 1.745 -2.029 -2.187 78 HB ILE 12 HB ILE 12 0.638 -3.369 -0.725 79 HG12 ILE 12 2HG1 ILE 12 0.449 -1.225 1.295 80 HG13 ILE 12 3HG1 ILE 12 -0.912 -1.708 0.300 81 HG21 ILE 12 1HG2 ILE 12 2.537 -1.682 0.755 82 HG22 ILE 12 2HG2 ILE 12 2.379 -3.411 0.995 83 HG23 ILE 12 3HG2 ILE 12 3.094 -2.964 -0.457 84 HD11 ILE 12 3HD1 ILE 12 0.385 -3.098 2.572 85 HD12 ILE 12 1HD1 ILE 12 -1.371 -2.935 2.124 86 HD13 ILE 12 2HD1 ILE 12 -0.391 -4.126 1.339 87 H ALA 13 H ALA 13 -0.953 0.212 -1.257 88 HA ALA 13 HA ALA 13 -3.173 -0.733 -2.540 89 HB1 ALA 13 1HB ALA 13 -2.463 2.094 -2.577 90 HB2 ALA 13 2HB ALA 13 -4.004 1.270 -2.316 91 HB3 ALA 13 3HB ALA 13 -2.732 1.223 -1.016 92 H ALA 14 H ALA 14 -0.387 0.685 -4.198 93 HA ALA 14 HA ALA 14 -1.714 0.384 -6.868 94 HB1 ALA 14 1HB ALA 14 -0.921 2.616 -6.399 95 HB2 ALA 14 2HB ALA 14 0.694 1.859 -6.029 96 HB3 ALA 14 3HB ALA 14 0.077 1.805 -7.658 97 H ILE 15 H ILE 15 -0.439 -1.549 -4.987 98 HA ILE 15 HA ILE 15 1.176 -2.964 -6.932 99 HB ILE 15 HB ILE 15 2.166 -2.160 -4.285 100 HG12 ILE 15 2HG1 ILE 15 3.643 -3.823 -6.195 101 HG13 ILE 15 3HG1 ILE 15 3.424 -2.079 -6.340 102 HG21 ILE 15 1HG2 ILE 15 2.062 -5.111 -4.436 103 HG22 ILE 15 2HG2 ILE 15 2.933 -4.024 -3.361 104 HG23 ILE 15 3HG2 ILE 15 1.082 -4.038 -3.351 105 HD11 ILE 15 3HD1 ILE 15 4.297 -1.778 -4.119 106 HD12 ILE 15 1HD1 ILE 15 4.889 -3.502 -4.082 107 HD13 ILE 15 2HD1 ILE 15 5.561 -2.392 -5.206 108 H ILE 16 H ILE 16 -1.191 -3.293 -4.480 109 HA ILE 16 HA ILE 16 -1.524 -6.083 -4.320 110 HB ILE 16 HB ILE 16 -2.935 -3.659 -3.430 111 HG12 ILE 16 2HG1 ILE 16 -2.220 -6.123 -1.869 112 HG13 ILE 16 3HG1 ILE 16 -1.008 -4.935 -2.441 113 HG21 ILE 16 1HG2 ILE 16 -5.008 -4.746 -4.002 114 HG22 ILE 16 2HG2 ILE 16 -4.440 -6.307 -3.635 115 HG23 ILE 16 3HG2 ILE 16 -4.689 -5.077 -2.305 116 HD11 ILE 16 3HD1 ILE 16 -2.016 -4.617 -0.149 117 HD12 ILE 16 1HD1 ILE 16 -1.850 -3.150 -1.208 118 HD13 ILE 16 2HD1 ILE 16 -3.416 -3.907 -0.996 119 H LYS 17 H LYS 17 -2.669 -3.989 -6.784 120 HA LYS 17 HA LYS 17 -4.047 -5.632 -8.379 121 HB2 LYS 17 2HB LYS 17 -2.757 -4.449 -10.232 122 HB3 LYS 17 3HB LYS 17 -3.179 -3.346 -8.964 123 HG2 LYS 17 2HG LYS 17 -0.893 -3.206 -8.218 124 HG3 LYS 17 3HG LYS 17 -0.507 -4.760 -9.071 125 HD2 LYS 17 2HD LYS 17 -0.467 -3.903 -11.171 126 HD3 LYS 17 3HD LYS 17 -1.035 -2.305 -10.678 127 HE2 LYS 17 2HE LYS 17 0.868 -2.028 -9.155 128 HE3 LYS 17 3HE LYS 17 1.553 -3.532 -9.738 129 HZ1 LYS 17 3HZ LYS 17 0.982 -1.478 -11.766 130 HZ2 LYS 17 1HZ LYS 17 2.340 -1.394 -10.808 131 HZ3 LYS 17 2HZ LYS 17 1.897 -2.663 -11.798 132 H ALA 18 H ALA 18 -1.123 -6.439 -7.267 133 HA ALA 18 HA ALA 18 -0.320 -8.565 -9.236 134 HB1 ALA 18 1HB ALA 18 0.372 -8.306 -6.329 135 HB2 ALA 18 2HB ALA 18 1.136 -9.410 -7.448 136 HB3 ALA 18 3HB ALA 18 1.257 -7.591 -7.659 137 H GLY 19 H GLY 19 -2.434 -8.761 -6.528 138 HA2 GLY 19 2HA GLY 19 -3.597 -11.120 -7.858 139 HA3 GLY 19 3HA GLY 19 -2.815 -11.515 -6.367 140 H GLY 20 H GLY 20 -4.602 -12.191 -5.525 141 HA2 GLY 20 2HA GLY 20 -7.079 -10.816 -4.974 142 HA3 GLY 20 3HA GLY 20 -6.550 -12.362 -4.382 143 H HIS 21 H HIS 21 -4.504 -9.458 -3.907 144 HA HIS 21 HA HIS 21 -4.065 -10.141 -1.191 145 HB2 HIS 21 2HB HIS 21 -3.260 -7.966 -3.167 146 HB3 HIS 21 3HB HIS 21 -2.707 -8.154 -1.483 147 HD1 HIS 21 1HD HIS 21 -2.375 -11.526 -2.261 148 HD2 HIS 21 2HD HIS 21 -0.572 -7.995 -3.638 149 HE1 HIS 21 1HE HIS 21 -0.125 -12.194 -3.364 150 HE2 HIS 21 2HE HIS 21 0.977 -10.075 -4.200 151 HN1 NH2 22 HN1 NH2 22 -6.556 -8.070 -2.543 152 H1 ACE 23 H1 ACE 23 1.041 -20.396 -5.691 153 H2 ACE 23 H2 ACE 23 2.765 -20.805 -5.259 154 H3 ACE 23 H3 ACE 23 1.415 -21.572 -4.427 155 H ALA 24 H ALA 24 1.056 -20.753 -2.411 156 HA ALA 24 HA ALA 24 0.218 -18.306 -1.638 157 HB1 ALA 24 1HB ALA 24 0.079 -20.252 -0.348 158 HB2 ALA 24 2HB ALA 24 1.915 -20.062 -0.000 159 HB3 ALA 24 3HB ALA 24 0.815 -18.904 0.589 160 H LYS 25 H LYS 25 3.394 -19.155 -2.114 161 HA LYS 25 HA LYS 25 4.849 -17.012 -0.839 162 HB2 LYS 25 2HB LYS 25 6.631 -17.337 -2.348 163 HB3 LYS 25 3HB LYS 25 6.129 -18.841 -1.658 164 HG2 LYS 25 2HG LYS 25 4.891 -19.315 -3.839 165 HG3 LYS 25 3HG LYS 25 5.626 -17.913 -4.521 166 HD2 LYS 25 2HD LYS 25 7.898 -18.849 -3.994 167 HD3 LYS 25 3HD LYS 25 7.124 -20.136 -3.075 168 HE2 LYS 25 2HE LYS 25 6.087 -20.961 -5.229 169 HE3 LYS 25 3HE LYS 25 6.929 -19.683 -6.090 170 HZ1 LYS 25 3HZ LYS 25 8.078 -21.692 -6.263 171 HZ2 LYS 25 1HZ LYS 25 8.959 -20.600 -5.357 172 HZ3 LYS 25 2HZ LYS 25 8.220 -21.866 -4.597 173 H ALA 26 H ALA 26 3.006 -16.869 -3.733 174 HA ALA 26 HA ALA 26 4.110 -14.724 -4.923 175 HB1 ALA 26 1HB ALA 26 1.968 -14.363 -5.995 176 HB2 ALA 26 2HB ALA 26 2.466 -16.063 -6.059 177 HB3 ALA 26 3HB ALA 26 1.228 -15.586 -4.956 178 H ALA 27 H ALA 27 2.302 -14.666 -1.903 179 HA ALA 27 HA ALA 27 1.460 -11.963 -1.739 180 HB1 ALA 27 1HB ALA 27 2.148 -12.280 0.623 181 HB2 ALA 27 2HB ALA 27 1.127 -13.625 0.114 182 HB3 ALA 27 3HB ALA 27 2.845 -13.913 0.122 183 H ALA 28 H ALA 28 4.833 -13.027 -1.998 184 HA ALA 28 HA ALA 28 6.234 -10.921 -1.174 185 HB1 ALA 28 1HB ALA 28 7.261 -13.087 -1.943 186 HB2 ALA 28 2HB ALA 28 6.379 -12.886 -3.409 187 HB3 ALA 28 3HB ALA 28 7.860 -11.902 -3.033 188 H ALA 29 H ALA 29 4.267 -10.883 -4.042 189 HA ALA 29 HA ALA 29 5.516 -8.680 -5.153 190 HB1 ALA 29 1HB ALA 29 2.716 -9.679 -5.357 191 HB2 ALA 29 2HB ALA 29 3.328 -8.318 -6.435 192 HB3 ALA 29 3HB ALA 29 4.128 -9.888 -6.449 193 H ALA 30 H ALA 30 3.119 -8.825 -2.653 194 HA ALA 30 HA ALA 30 3.224 -5.914 -1.911 195 HB1 ALA 30 1HB ALA 30 1.143 -6.951 -1.780 196 HB2 ALA 30 2HB ALA 30 1.752 -8.270 -0.790 197 HB3 ALA 30 3HB ALA 30 1.769 -6.567 -0.184 198 H ILE 31 H ILE 31 4.091 -8.992 -0.154 199 HA ILE 31 HA ILE 31 5.064 -7.643 1.887 200 HB ILE 31 HB ILE 31 5.789 -10.383 0.825 201 HG12 ILE 31 2HG1 ILE 31 3.375 -10.034 1.280 202 HG13 ILE 31 3HG1 ILE 31 4.135 -11.289 2.293 203 HG21 ILE 31 1HG2 ILE 31 7.438 -9.947 2.471 204 HG22 ILE 31 2HG2 ILE 31 6.304 -9.325 3.671 205 HG23 ILE 31 3HG2 ILE 31 6.214 -10.994 3.231 206 HD11 ILE 31 3HD1 ILE 31 2.545 -10.114 3.488 207 HD12 ILE 31 1HD1 ILE 31 4.059 -9.905 4.302 208 HD13 ILE 31 2HD1 ILE 31 3.371 -8.568 3.335 209 H LYS 32 H LYS 32 6.969 -8.621 -0.864 210 HA LYS 32 HA LYS 32 9.551 -8.112 0.243 211 HB2 LYS 32 2HB LYS 32 8.783 -9.193 -2.015 212 HB3 LYS 32 3HB LYS 32 8.911 -7.538 -2.616 213 HG2 LYS 32 2HG LYS 32 11.358 -7.538 -2.075 214 HG3 LYS 32 3HG LYS 32 11.068 -9.179 -1.379 215 HD2 LYS 32 2HD LYS 32 11.980 -9.562 -3.551 216 HD3 LYS 32 3HD LYS 32 10.240 -9.930 -3.608 217 HE2 LYS 32 2HE LYS 32 9.705 -7.950 -4.784 218 HE3 LYS 32 3HE LYS 32 11.328 -7.340 -4.805 219 HZ1 LYS 32 3HZ LYS 32 10.564 -9.958 -5.971 220 HZ2 LYS 32 1HZ LYS 32 10.863 -8.669 -6.766 221 HZ3 LYS 32 2HZ LYS 32 12.070 -9.382 -5.961 222 H ALA 33 H ALA 33 7.157 -5.932 -1.001 223 HA ALA 33 HA ALA 33 8.913 -3.668 -1.218 224 HB1 ALA 33 1HB ALA 33 6.626 -2.542 -1.581 225 HB2 ALA 33 2HB ALA 33 7.079 -3.803 -2.748 226 HB3 ALA 33 3HB ALA 33 5.976 -4.199 -1.466 227 H ILE 34 H ILE 34 6.268 -4.497 1.068 228 HA ILE 34 HA ILE 34 6.758 -2.492 2.944 229 HB ILE 34 HB ILE 34 5.339 -3.659 4.428 230 HG12 ILE 34 2HG1 ILE 34 4.866 -5.730 2.266 231 HG13 ILE 34 3HG1 ILE 34 5.857 -6.010 3.655 232 HG21 ILE 34 1HG2 ILE 34 4.555 -1.952 3.263 233 HG22 ILE 34 2HG2 ILE 34 4.598 -2.824 1.732 234 HG23 ILE 34 3HG2 ILE 34 3.364 -3.165 2.908 235 HD11 ILE 34 3HD1 ILE 34 3.428 -4.904 4.737 236 HD12 ILE 34 1HD1 ILE 34 2.854 -5.876 3.361 237 HD13 ILE 34 2HD1 ILE 34 3.808 -6.532 4.751 238 H ALA 35 H ALA 35 8.311 -5.795 3.078 239 HA ALA 35 HA ALA 35 8.691 -5.706 5.723 240 HB1 ALA 35 1HB ALA 35 9.056 -7.753 4.321 241 HB2 ALA 35 2HB ALA 35 10.437 -7.111 3.550 242 HB3 ALA 35 3HB ALA 35 10.449 -7.466 5.312 243 H ALA 36 H ALA 36 11.197 -4.354 3.366 244 HA ALA 36 HA ALA 36 12.732 -3.210 5.497 245 HB1 ALA 36 1HB ALA 36 13.335 -3.588 2.920 246 HB2 ALA 36 2HB ALA 36 12.159 -2.324 2.624 247 HB3 ALA 36 3HB ALA 36 13.619 -1.973 3.572 248 H ILE 37 H ILE 37 9.745 -2.159 3.858 249 HA ILE 37 HA ILE 37 10.037 0.552 4.780 250 HB ILE 37 HB ILE 37 8.290 -0.942 2.994 251 HG12 ILE 37 2HG1 ILE 37 8.645 1.951 2.935 252 HG13 ILE 37 3HG1 ILE 37 9.843 0.754 2.435 253 HG21 ILE 37 1HG2 ILE 37 6.119 0.181 3.311 254 HG22 ILE 37 2HG2 ILE 37 6.623 -0.163 4.966 255 HG23 ILE 37 3HG2 ILE 37 6.926 1.427 4.329 256 HD11 ILE 37 3HD1 ILE 37 7.985 -0.268 0.990 257 HD12 ILE 37 1HD1 ILE 37 7.059 1.161 1.317 258 HD13 ILE 37 2HD1 ILE 37 8.553 1.340 0.399 259 H ILE 38 H ILE 38 8.717 -2.281 6.288 260 HA ILE 38 HA ILE 38 7.268 -0.930 8.177 261 HB ILE 38 HB ILE 38 8.297 -3.545 7.589 262 HG12 ILE 38 2HG1 ILE 38 5.544 -2.625 8.375 263 HG13 ILE 38 3HG1 ILE 38 6.375 -2.570 6.751 264 HG21 ILE 38 1HG2 ILE 38 7.586 -2.950 10.446 265 HG22 ILE 38 2HG2 ILE 38 7.625 -4.640 9.680 266 HG23 ILE 38 3HG2 ILE 38 9.004 -3.699 9.883 267 HD11 ILE 38 3HD1 ILE 38 4.978 -4.331 6.729 268 HD12 ILE 38 1HD1 ILE 38 6.592 -4.992 6.670 269 HD13 ILE 38 2HD1 ILE 38 5.724 -5.176 8.166 270 H LYS 39 H LYS 39 10.605 -0.883 7.813 271 HA LYS 39 HA LYS 39 11.538 -0.070 10.359 272 HB2 LYS 39 2HB LYS 39 12.722 -1.041 8.111 273 HB3 LYS 39 3HB LYS 39 12.753 0.706 7.817 274 HG2 LYS 39 2HG LYS 39 13.916 0.937 10.087 275 HG3 LYS 39 3HG LYS 39 13.992 -0.814 10.202 276 HD2 LYS 39 2HD LYS 39 15.367 -1.024 8.306 277 HD3 LYS 39 3HD LYS 39 15.372 0.659 7.887 278 HE2 LYS 39 2HE LYS 39 16.495 -0.156 10.522 279 HE3 LYS 39 3HE LYS 39 17.330 -0.261 8.960 280 HZ1 LYS 39 3HZ LYS 39 15.993 2.272 9.647 281 HZ2 LYS 39 1HZ LYS 39 17.591 1.822 10.266 282 HZ3 LYS 39 2HZ LYS 39 17.058 2.029 8.678 283 H ALA 40 H ALA 40 9.550 1.546 8.188 284 HA ALA 40 HA ALA 40 10.459 4.183 8.789 285 HB1 ALA 40 1HB ALA 40 7.701 3.344 7.907 286 HB2 ALA 40 2HB ALA 40 8.416 4.952 7.735 287 HB3 ALA 40 3HB ALA 40 9.052 3.620 6.814 288 H GLY 41 H GLY 41 8.470 2.008 10.685 289 HA2 GLY 41 2HA GLY 41 8.386 3.959 12.824 290 HA3 GLY 41 3HA GLY 41 6.766 3.633 12.175 291 H GLY 42 H GLY 42 6.198 2.726 14.126 292 HA2 GLY 42 2HA GLY 42 7.373 0.163 14.933 293 HA3 GLY 42 3HA GLY 42 6.097 1.128 15.794 294 H HIS 43 H HIS 43 6.090 0.154 12.231 295 HA HIS 43 HA HIS 43 3.622 -0.920 12.403 296 HB2 HIS 43 2HB HIS 43 6.104 -1.271 10.566 297 HB3 HIS 43 3HB HIS 43 4.423 -1.465 10.057 298 HD1 HIS 43 1HD HIS 43 3.493 1.322 11.491 299 HD2 HIS 43 2HD HIS 43 6.408 0.645 8.468 300 HE1 HIS 43 1HE HIS 43 3.813 3.455 10.158 301 HE2 HIS 43 2HE HIS 43 5.679 3.145 8.477 302 HN1 NH2 44 HN1 NH2 44 3.493 -3.313 11.006 303 H1 ACE 45 H1 ACE 45 -7.410 9.014 5.361 304 H2 ACE 45 H2 ACE 45 -7.718 10.209 6.670 305 H3 ACE 45 H3 ACE 45 -6.191 10.230 5.577 306 H ALA 46 H ALA 46 -5.041 10.121 7.687 307 HA ALA 46 HA ALA 46 -3.793 7.587 7.358 308 HB1 ALA 46 1HB ALA 46 -2.009 8.361 8.580 309 HB2 ALA 46 2HB ALA 46 -2.773 9.830 7.824 310 HB3 ALA 46 3HB ALA 46 -2.894 9.419 9.568 311 H LYS 47 H LYS 47 -6.048 8.471 9.884 312 HA LYS 47 HA LYS 47 -5.224 6.806 11.970 313 HB2 LYS 47 2HB LYS 47 -7.486 7.027 12.761 314 HB3 LYS 47 3HB LYS 47 -6.767 8.550 12.145 315 HG2 LYS 47 2HG LYS 47 -8.002 8.104 9.937 316 HG3 LYS 47 3HG LYS 47 -8.990 6.993 10.985 317 HD2 LYS 47 2HD LYS 47 -9.234 8.777 12.651 318 HD3 LYS 47 3HD LYS 47 -8.724 9.917 11.509 319 HE2 LYS 47 2HE LYS 47 -10.610 9.054 9.971 320 HE3 LYS 47 3HE LYS 47 -10.912 7.762 11.110 321 HZ1 LYS 47 3HZ LYS 47 -12.187 9.218 12.411 322 HZ2 LYS 47 1HZ LYS 47 -11.235 10.531 11.986 323 HZ3 LYS 47 2HZ LYS 47 -12.240 10.044 10.980 324 H ALA 48 H ALA 48 -6.782 5.885 8.973 325 HA ALA 48 HA ALA 48 -7.426 3.208 10.077 326 HB1 ALA 48 1HB ALA 48 -7.816 4.370 7.174 327 HB2 ALA 48 2HB ALA 48 -8.303 2.793 7.811 328 HB3 ALA 48 3HB ALA 48 -8.994 4.226 8.466 329 H ALA 49 H ALA 49 -4.855 4.756 8.150 330 HA ALA 49 HA ALA 49 -3.626 2.277 7.351 331 HB1 ALA 49 1HB ALA 49 -3.314 4.478 6.178 332 HB2 ALA 49 2HB ALA 49 -2.340 4.990 7.630 333 HB3 ALA 49 3HB ALA 49 -1.804 3.636 6.682 334 H ALA 50 H ALA 50 -3.134 4.608 10.004 335 HA ALA 50 HA ALA 50 -1.378 3.011 11.436 336 HB1 ALA 50 1HB ALA 50 -3.491 4.896 12.463 337 HB2 ALA 50 2HB ALA 50 -2.240 4.180 13.582 338 HB3 ALA 50 3HB ALA 50 -1.769 5.240 12.291 339 H ALA 51 H ALA 51 -4.838 2.612 11.376 340 HA ALA 51 HA ALA 51 -4.934 0.794 13.679 341 HB1 ALA 51 1HB ALA 51 -7.223 1.051 11.725 342 HB2 ALA 51 2HB ALA 51 -7.260 0.897 13.481 343 HB3 ALA 51 3HB ALA 51 -6.858 2.420 12.744 344 H ALA 52 H ALA 52 -5.036 0.427 10.103 345 HA ALA 52 HA ALA 52 -5.202 -2.521 10.146 346 HB1 ALA 52 1HB ALA 52 -4.438 -2.485 7.881 347 HB2 ALA 52 2HB ALA 52 -5.759 -1.366 8.124 348 HB3 ALA 52 3HB ALA 52 -4.113 -0.714 7.917 349 H ILE 53 H ILE 53 -2.403 -0.301 10.035 350 HA ILE 53 HA ILE 53 -0.586 -2.301 9.600 351 HB ILE 53 HB ILE 53 -0.333 0.491 10.755 352 HG12 ILE 53 2HG1 ILE 53 -0.814 0.535 8.467 353 HG13 ILE 53 3HG1 ILE 53 0.887 0.962 8.769 354 HG21 ILE 53 1HG2 ILE 53 1.390 -0.621 11.856 355 HG22 ILE 53 2HG2 ILE 53 1.902 -1.596 10.480 356 HG23 ILE 53 3HG2 ILE 53 2.152 0.147 10.444 357 HD11 ILE 53 3HD1 ILE 53 1.631 -1.317 7.868 358 HD12 ILE 53 1HD1 ILE 53 -0.139 -1.602 7.552 359 HD13 ILE 53 2HD1 ILE 53 0.786 -0.295 6.827 360 H LYS 54 H LYS 54 -1.751 -0.691 12.676 361 HA LYS 54 HA LYS 54 -0.354 -2.186 14.527 362 HB2 LYS 54 2HB LYS 54 -1.726 -0.156 14.808 363 HB3 LYS 54 3HB LYS 54 -3.147 -1.136 14.547 364 HG2 LYS 54 2HG LYS 54 -2.833 -0.620 16.950 365 HG3 LYS 54 3HG LYS 54 -2.664 -2.344 16.561 366 HD2 LYS 54 2HD LYS 54 -0.220 -0.592 16.712 367 HD3 LYS 54 3HD LYS 54 -0.933 -1.055 18.233 368 HE2 LYS 54 2HE LYS 54 -0.646 -3.451 17.658 369 HE3 LYS 54 3HE LYS 54 0.047 -2.931 16.137 370 HZ1 LYS 54 3HZ LYS 54 1.819 -3.317 17.613 371 HZ2 LYS 54 1HZ LYS 54 1.665 -1.648 17.791 372 HZ3 LYS 54 2HZ LYS 54 1.116 -2.803 18.876 373 H ALA 55 H ALA 55 -3.270 -3.266 12.547 374 HA ALA 55 HA ALA 55 -3.942 -5.473 14.313 375 HB1 ALA 55 1HB ALA 55 -4.748 -4.568 11.641 376 HB2 ALA 55 2HB ALA 55 -5.376 -6.039 12.364 377 HB3 ALA 55 3HB ALA 55 -5.624 -4.350 13.087 378 H ILE 56 H ILE 56 -1.658 -4.994 11.617 379 HA ILE 56 HA ILE 56 -1.169 -7.844 11.554 380 HB ILE 56 HB ILE 56 -0.210 -7.454 9.631 381 HG12 ILE 56 2HG1 ILE 56 -0.891 -4.445 9.820 382 HG13 ILE 56 3HG1 ILE 56 0.722 -5.067 10.324 383 HG21 ILE 56 1HG2 ILE 56 -2.752 -5.905 9.661 384 HG22 ILE 56 2HG2 ILE 56 -2.071 -6.751 8.318 385 HG23 ILE 56 3HG2 ILE 56 -2.731 -7.670 9.697 386 HD11 ILE 56 3HD1 ILE 56 1.025 -6.045 8.025 387 HD12 ILE 56 1HD1 ILE 56 -0.246 -4.837 7.593 388 HD13 ILE 56 2HD1 ILE 56 1.238 -4.308 8.331 389 H ALA 57 H ALA 57 0.367 -4.901 13.032 390 HA ALA 57 HA ALA 57 2.867 -5.302 12.682 391 HB1 ALA 57 1HB ALA 57 1.582 -4.683 15.252 392 HB2 ALA 57 2HB ALA 57 3.318 -4.386 14.815 393 HB3 ALA 57 3HB ALA 57 2.028 -3.540 13.956 394 H ALA 58 H ALA 58 1.157 -7.257 15.133 395 HA ALA 58 HA ALA 58 3.348 -8.841 16.109 396 HB1 ALA 58 1HB ALA 58 1.427 -8.270 17.479 397 HB2 ALA 58 2HB ALA 58 0.364 -9.190 16.402 398 HB3 ALA 58 3HB ALA 58 1.672 -9.970 17.297 399 H ILE 59 H ILE 59 0.816 -9.452 13.781 400 HA ILE 59 HA ILE 59 1.434 -12.008 12.824 401 HB ILE 59 HB ILE 59 -0.184 -9.626 12.024 402 HG12 ILE 59 2HG1 ILE 59 -0.584 -12.412 11.142 403 HG13 ILE 59 3HG1 ILE 59 -0.771 -11.920 12.843 404 HG21 ILE 59 1HG2 ILE 59 1.051 -9.323 10.018 405 HG22 ILE 59 2HG2 ILE 59 0.992 -11.114 9.697 406 HG23 ILE 59 3HG2 ILE 59 -0.399 -10.028 9.802 407 HD11 ILE 59 3HD1 ILE 59 -2.781 -11.881 11.416 408 HD12 ILE 59 1HD1 ILE 59 -2.443 -10.330 12.320 409 HD13 ILE 59 2HD1 ILE 59 -2.243 -10.549 10.502 410 H ILE 60 H ILE 60 2.861 -8.880 11.955 411 HA ILE 60 HA ILE 60 4.705 -9.919 9.915 412 HB ILE 60 HB ILE 60 4.481 -7.346 11.459 413 HG12 ILE 60 2HG1 ILE 60 4.797 -7.671 8.472 414 HG13 ILE 60 3HG1 ILE 60 3.301 -8.276 9.188 415 HG21 ILE 60 1HG2 ILE 60 6.278 -6.381 10.627 416 HG22 ILE 60 2HG2 ILE 60 6.764 -7.794 11.497 417 HG23 ILE 60 3HG2 ILE 60 6.885 -7.577 9.613 418 HD11 ILE 60 3HD1 ILE 60 3.200 -5.783 8.609 419 HD12 ILE 60 1HD1 ILE 60 2.801 -6.135 10.258 420 HD13 ILE 60 2HD1 ILE 60 4.459 -5.543 9.811 421 H LYS 61 H LYS 61 5.265 -10.175 13.306 422 HA LYS 61 HA LYS 61 7.956 -11.124 12.914 423 HB2 LYS 61 2HB LYS 61 5.970 -12.140 15.038 424 HB3 LYS 61 3HB LYS 61 7.725 -12.317 15.010 425 HG2 LYS 61 2HG LYS 61 6.248 -9.635 15.147 426 HG3 LYS 61 3HG LYS 61 6.765 -10.532 16.559 427 HD2 LYS 61 2HD LYS 61 9.180 -10.332 15.662 428 HD3 LYS 61 3HD LYS 61 8.511 -9.346 14.347 429 HE2 LYS 61 2HE LYS 61 7.744 -7.664 15.778 430 HE3 LYS 61 3HE LYS 61 7.850 -8.561 17.225 431 HZ1 LYS 61 3HZ LYS 61 10.275 -8.397 17.072 432 HZ2 LYS 61 1HZ LYS 61 10.212 -7.607 15.642 433 HZ3 LYS 61 2HZ LYS 61 9.528 -6.883 16.818 434 H ALA 62 H ALA 62 4.973 -12.680 12.221 435 HA ALA 62 HA ALA 62 5.678 -15.334 12.734 436 HB1 ALA 62 1HB ALA 62 3.416 -14.557 12.043 437 HB2 ALA 62 2HB ALA 62 3.983 -14.320 10.332 438 HB3 ALA 62 3HB ALA 62 3.997 -15.853 11.125 439 H GLY 63 H GLY 63 6.660 -13.597 9.921 440 HA2 GLY 63 2HA GLY 63 8.829 -15.535 9.295 441 HA3 GLY 63 3HA GLY 63 7.669 -15.113 8.025 442 H GLY 64 H GLY 64 8.619 -12.560 10.386 443 HA2 GLY 64 2HA GLY 64 9.832 -10.790 10.279 444 HA3 GLY 64 3HA GLY 64 10.909 -11.618 9.179 445 H HIS 65 H HIS 65 7.511 -10.693 8.737 446 HA HIS 65 HA HIS 65 8.065 -10.087 6.013 447 HB2 HIS 65 2HB HIS 65 5.442 -9.450 7.391 448 HB3 HIS 65 3HB HIS 65 5.599 -10.039 5.755 449 HD1 HIS 65 1HD HIS 65 6.809 -12.582 5.607 450 HD2 HIS 65 2HD HIS 65 4.400 -11.323 8.849 451 HE1 HIS 65 1HE HIS 65 5.584 -14.638 6.521 452 HE2 HIS 65 2HE HIS 65 4.361 -13.955 8.692 453 HN1 NH2 66 HN1 NH2 66 9.096 -8.025 8.222 454 H1 ACE 67 H1 ACE 67 7.653 -18.185 5.332 455 H2 ACE 67 H2 ACE 67 8.424 -16.969 4.294 456 H3 ACE 67 H3 ACE 67 7.593 -16.448 5.734 457 H ALA 68 H ALA 68 7.014 -18.741 2.870 458 HA ALA 68 HA ALA 68 5.119 -17.525 1.501 459 HB1 ALA 68 1HB ALA 68 4.666 -19.894 0.591 460 HB2 ALA 68 2HB ALA 68 6.370 -19.691 1.051 461 HB3 ALA 68 3HB ALA 68 5.263 -20.453 2.173 462 H LYS 69 H LYS 69 4.468 -19.993 3.858 463 HA LYS 69 HA LYS 69 1.593 -19.897 3.758 464 HB2 LYS 69 2HB LYS 69 3.622 -21.284 5.320 465 HB3 LYS 69 3HB LYS 69 2.185 -20.965 6.236 466 HG2 LYS 69 2HG LYS 69 2.152 -23.184 5.075 467 HG3 LYS 69 3HG LYS 69 0.827 -22.187 4.525 468 HD2 LYS 69 2HD LYS 69 1.944 -21.634 2.472 469 HD3 LYS 69 3HD LYS 69 3.469 -22.232 2.962 470 HE2 LYS 69 2HE LYS 69 2.326 -24.581 3.207 471 HE3 LYS 69 3HE LYS 69 0.861 -23.699 2.685 472 HZ1 LYS 69 3HZ LYS 69 2.098 -24.929 0.844 473 HZ2 LYS 69 1HZ LYS 69 1.973 -23.280 0.571 474 HZ3 LYS 69 2HZ LYS 69 3.337 -23.953 1.089 475 H ALA 70 H ALA 70 3.892 -18.379 6.158 476 HA ALA 70 HA ALA 70 1.889 -17.182 7.740 477 HB1 ALA 70 1HB ALA 70 4.888 -16.635 7.390 478 HB2 ALA 70 2HB ALA 70 3.786 -15.754 8.409 479 HB3 ALA 70 3HB ALA 70 4.108 -17.618 8.514 480 H ALA 71 H ALA 71 3.876 -15.725 5.109 481 HA ALA 71 HA ALA 71 2.873 -13.139 4.774 482 HB1 ALA 71 1HB ALA 71 3.537 -13.286 2.602 483 HB2 ALA 71 2HB ALA 71 4.694 -14.261 3.633 484 HB3 ALA 71 3HB ALA 71 3.472 -15.055 2.580 485 H ALA 72 H ALA 72 1.589 -16.104 3.183 486 HA ALA 72 HA ALA 72 -0.587 -15.017 2.133 487 HB1 ALA 72 1HB ALA 72 -0.106 -17.298 1.590 488 HB2 ALA 72 2HB ALA 72 -0.313 -17.961 3.146 489 HB3 ALA 72 3HB ALA 72 -1.748 -17.286 2.271 490 H ALA 73 H ALA 73 -0.599 -16.152 5.462 491 HA ALA 73 HA ALA 73 -3.276 -15.408 5.997 492 HB1 ALA 73 1HB ALA 73 -0.973 -15.962 7.966 493 HB2 ALA 73 2HB ALA 73 -2.659 -15.708 8.356 494 HB3 ALA 73 3HB ALA 73 -2.147 -17.143 7.452 495 H ALA 74 H ALA 74 -0.499 -13.746 6.442 496 HA ALA 74 HA ALA 74 -1.378 -11.218 7.860 497 HB1 ALA 74 1HB ALA 74 0.489 -10.222 6.507 498 HB2 ALA 74 2HB ALA 74 1.034 -11.456 7.642 499 HB3 ALA 74 3HB ALA 74 0.809 -11.870 5.846 500 H ILE 75 H ILE 75 -0.875 -12.314 4.532 501 HA ILE 75 HA ILE 75 -2.181 -10.064 3.302 502 HB ILE 75 HB ILE 75 -1.572 -12.680 2.137 503 HG12 ILE 75 2HG1 ILE 75 0.378 -11.337 2.731 504 HG13 ILE 75 3HG1 ILE 75 0.238 -11.478 1.000 505 HG21 ILE 75 1HG2 ILE 75 -3.455 -11.505 0.932 506 HG22 ILE 75 2HG2 ILE 75 -2.536 -10.036 0.868 507 HG23 ILE 75 3HG2 ILE 75 -2.012 -11.612 0.013 508 HD11 ILE 75 3HD1 ILE 75 -0.295 -8.930 2.601 509 HD12 ILE 75 1HD1 ILE 75 1.033 -9.432 1.688 510 HD13 ILE 75 2HD1 ILE 75 -0.510 -9.160 0.795 511 H LYS 76 H LYS 76 -3.636 -13.315 3.853 512 HA LYS 76 HA LYS 76 -6.178 -12.383 3.376 513 HB2 LYS 76 2HB LYS 76 -5.213 -14.615 5.146 514 HB3 LYS 76 3HB LYS 76 -6.899 -14.189 5.055 515 HG2 LYS 76 2HG LYS 76 -6.808 -14.657 2.542 516 HG3 LYS 76 3HG LYS 76 -5.018 -14.734 2.716 517 HD2 LYS 76 2HD LYS 76 -5.333 -16.715 4.278 518 HD3 LYS 76 3HD LYS 76 -7.009 -16.815 3.681 519 HE2 LYS 76 2HE LYS 76 -6.398 -17.011 1.415 520 HE3 LYS 76 3HE LYS 76 -4.687 -16.865 1.715 521 HZ1 LYS 76 3HZ LYS 76 -4.834 -19.065 1.855 522 HZ2 LYS 76 1HZ LYS 76 -5.200 -18.760 3.419 523 HZ3 LYS 76 2HZ LYS 76 -6.401 -19.032 2.280 524 H ALA 77 H ALA 77 -4.518 -11.174 5.799 525 HA ALA 77 HA ALA 77 -6.772 -10.551 7.611 526 HB1 ALA 77 1HB ALA 77 -4.781 -10.714 8.733 527 HB2 ALA 77 2HB ALA 77 -3.915 -9.635 7.655 528 HB3 ALA 77 3HB ALA 77 -5.265 -9.073 8.749 529 H ILE 78 H ILE 78 -4.413 -8.758 5.630 530 HA ILE 78 HA ILE 78 -5.901 -6.357 5.754 531 HB ILE 78 HB ILE 78 -4.378 -5.375 4.116 532 HG12 ILE 78 2HG1 ILE 78 -3.064 -8.127 3.933 533 HG13 ILE 78 3HG1 ILE 78 -3.916 -7.366 2.580 534 HG21 ILE 78 1HG2 ILE 78 -2.762 -6.926 6.200 535 HG22 ILE 78 2HG2 ILE 78 -2.508 -5.308 5.563 536 HG23 ILE 78 3HG2 ILE 78 -3.843 -5.614 6.539 537 HD11 ILE 78 3HD1 ILE 78 -2.449 -5.501 2.440 538 HD12 ILE 78 1HD1 ILE 78 -1.465 -6.161 3.826 539 HD13 ILE 78 2HD1 ILE 78 -1.678 -6.983 2.237 540 H ALA 79 H ALA 79 -5.870 -9.046 3.224 541 HA ALA 79 HA ALA 79 -7.263 -7.984 1.226 542 HB1 ALA 79 1HB ALA 79 -7.779 -10.005 0.630 543 HB2 ALA 79 2HB ALA 79 -6.212 -10.294 1.535 544 HB3 ALA 79 3HB ALA 79 -7.859 -10.738 2.188 545 H ALA 80 H ALA 80 -8.479 -8.621 4.517 546 HA ALA 80 HA ALA 80 -11.198 -8.062 3.756 547 HB1 ALA 80 1HB ALA 80 -11.504 -8.514 6.306 548 HB2 ALA 80 2HB ALA 80 -10.929 -9.866 5.333 549 HB3 ALA 80 3HB ALA 80 -9.862 -8.844 6.432 550 H ILE 81 H ILE 81 -8.884 -6.920 5.971 551 HA ILE 81 HA ILE 81 -9.935 -4.378 6.787 552 HB ILE 81 HB ILE 81 -7.470 -5.686 7.154 553 HG12 ILE 81 2HG1 ILE 81 -8.108 -3.074 8.414 554 HG13 ILE 81 3HG1 ILE 81 -9.191 -4.439 8.664 555 HG21 ILE 81 1HG2 ILE 81 -5.847 -3.910 7.060 556 HG22 ILE 81 2HG2 ILE 81 -6.339 -4.113 5.456 557 HG23 ILE 81 3HG2 ILE 81 -7.055 -2.796 6.475 558 HD11 ILE 81 3HD1 ILE 81 -7.537 -4.462 10.451 559 HD12 ILE 81 1HD1 ILE 81 -7.244 -5.821 9.380 560 HD13 ILE 81 2HD1 ILE 81 -6.205 -4.379 9.214 561 H ILE 82 H ILE 82 -8.426 -4.997 3.733 562 HA ILE 82 HA ILE 82 -8.076 -2.431 2.886 563 HB ILE 82 HB ILE 82 -8.403 -5.031 1.577 564 HG12 ILE 82 2HG1 ILE 82 -6.156 -3.010 1.335 565 HG13 ILE 82 3HG1 ILE 82 -6.491 -3.914 2.866 566 HG21 ILE 82 1HG2 ILE 82 -9.302 -3.555 -0.204 567 HG22 ILE 82 2HG2 ILE 82 -7.943 -2.455 0.048 568 HG23 ILE 82 3HG2 ILE 82 -7.663 -4.015 -0.639 569 HD11 ILE 82 3HD1 ILE 82 -5.567 -5.175 0.293 570 HD12 ILE 82 1HD1 ILE 82 -4.669 -4.879 1.777 571 HD13 ILE 82 2HD1 ILE 82 -5.980 -6.098 1.669 572 H LYS 83 H LYS 83 -11.181 -4.180 3.072 573 HA LYS 83 HA LYS 83 -12.964 -2.756 1.571 574 HB2 LYS 83 2HB LYS 83 -13.025 -4.026 4.337 575 HB3 LYS 83 3HB LYS 83 -14.460 -3.396 3.430 576 HG2 LYS 83 2HG LYS 83 -14.069 -4.742 1.528 577 HG3 LYS 83 3HG LYS 83 -12.660 -5.466 2.295 578 HD2 LYS 83 2HD LYS 83 -14.474 -7.009 2.647 579 HD3 LYS 83 3HD LYS 83 -14.185 -6.126 4.197 580 HE2 LYS 83 2HE LYS 83 -16.093 -4.740 3.945 581 HE3 LYS 83 3HE LYS 83 -16.334 -5.477 2.339 582 HZ1 LYS 83 3HZ LYS 83 -17.082 -7.440 3.344 583 HZ2 LYS 83 1HZ LYS 83 -16.199 -7.306 4.643 584 HZ3 LYS 83 2HZ LYS 83 -17.486 -6.331 4.546 585 H ALA 84 H ALA 84 -11.101 -1.791 4.359 586 HA ALA 84 HA ALA 84 -12.709 0.373 5.379 587 HB1 ALA 84 1HB ALA 84 -10.758 0.899 6.754 588 HB2 ALA 84 2HB ALA 84 -11.080 -0.846 6.810 589 HB3 ALA 84 3HB ALA 84 -9.827 -0.221 5.715 590 H GLY 85 H GLY 85 -9.920 0.543 3.200 591 HA2 GLY 85 2HA GLY 85 -10.755 3.214 2.383 592 HA3 GLY 85 3HA GLY 85 -9.254 3.179 3.306 593 H GLY 86 H GLY 86 -9.932 0.449 1.026 594 HA2 GLY 86 2HA GLY 86 -9.021 -0.048 -1.038 595 HA3 GLY 86 3HA GLY 86 -8.914 1.636 -1.307 596 H HIS 87 H HIS 87 -7.370 -0.393 1.126 597 HA HIS 87 HA HIS 87 -4.779 0.888 0.904 598 HB2 HIS 87 2HB HIS 87 -5.531 -1.496 2.566 599 HB3 HIS 87 3HB HIS 87 -4.260 -0.271 2.794 600 HD1 HIS 87 1HD HIS 87 -5.564 2.346 3.030 601 HD2 HIS 87 2HD HIS 87 -7.431 -1.189 4.251 602 HE1 HIS 87 1HE HIS 87 -6.966 2.847 5.307 603 HE2 HIS 87 2HE HIS 87 -8.212 0.781 5.760 604 HN1 NH2 88 HN1 NH2 88 -6.132 -1.192 -1.205 605 HN2 NH2 88 HN2 NH2 88 -4.712 -2.074 -1.681 Start of MODEL 8 1 H1 ACE 1 H1 ACE 1 1.302 10.183 13.718 2 H2 ACE 1 H2 ACE 1 2.469 8.879 14.047 3 H3 ACE 1 H3 ACE 1 2.945 10.056 12.977 4 H ALA 2 H ALA 2 1.004 10.285 10.993 5 HA ALA 2 HA ALA 2 -0.125 7.686 10.261 6 HB1 ALA 2 1HB ALA 2 -0.646 10.409 9.099 7 HB2 ALA 2 2HB ALA 2 -1.658 8.927 9.064 8 HB3 ALA 2 3HB ALA 2 -1.518 9.949 10.522 9 H LYS 3 H LYS 3 2.342 9.913 9.404 10 HA LYS 3 HA LYS 3 2.109 9.536 6.564 11 HB2 LYS 3 2HB LYS 3 3.270 11.624 7.221 12 HB3 LYS 3 3HB LYS 3 4.488 10.661 8.115 13 HG2 LYS 3 2HG LYS 3 5.261 9.571 6.073 14 HG3 LYS 3 3HG LYS 3 4.088 10.489 5.141 15 HD2 LYS 3 2HD LYS 3 5.154 12.619 5.854 16 HD3 LYS 3 3HD LYS 3 6.183 11.775 6.970 17 HE2 LYS 3 2HE LYS 3 7.406 10.714 5.083 18 HE3 LYS 3 3HE LYS 3 6.178 11.221 3.926 19 HZ1 LYS 3 3HZ LYS 3 8.025 12.646 3.879 20 HZ2 LYS 3 1HZ LYS 3 6.803 13.591 4.392 21 HZ3 LYS 3 2HZ LYS 3 7.965 13.125 5.370 22 H ALA 4 H ALA 4 4.661 7.949 8.730 23 HA ALA 4 HA ALA 4 5.589 6.730 6.516 24 HB1 ALA 4 1HB ALA 4 5.879 5.676 9.431 25 HB2 ALA 4 2HB ALA 4 6.746 5.122 8.061 26 HB3 ALA 4 3HB ALA 4 6.827 6.852 8.461 27 H ALA 5 H ALA 5 2.822 5.791 8.603 28 HA ALA 5 HA ALA 5 2.285 3.229 7.396 29 HB1 ALA 5 1HB ALA 5 0.432 5.378 8.581 30 HB2 ALA 5 2HB ALA 5 0.005 3.819 8.128 31 HB3 ALA 5 3HB ALA 5 1.140 3.981 9.529 32 H ALA 6 H ALA 6 0.960 6.497 6.629 33 HA ALA 6 HA ALA 6 -0.656 5.507 4.462 34 HB1 ALA 6 1HB ALA 6 -0.312 7.811 3.414 35 HB2 ALA 6 2HB ALA 6 -0.986 7.978 5.026 36 HB3 ALA 6 3HB ALA 6 0.610 8.396 4.690 37 H ALA 7 H ALA 7 2.873 6.360 4.594 38 HA ALA 7 HA ALA 7 3.145 6.035 1.737 39 HB1 ALA 7 1HB ALA 7 5.546 5.805 2.179 40 HB2 ALA 7 2HB ALA 7 4.830 7.157 3.121 41 HB3 ALA 7 3HB ALA 7 5.221 5.693 3.965 42 H ALA 8 H ALA 8 3.830 3.614 4.361 43 HA ALA 8 HA ALA 8 4.723 1.640 2.743 44 HB1 ALA 8 1HB ALA 8 4.833 1.740 5.044 45 HB2 ALA 8 2HB ALA 8 3.117 1.261 5.305 46 HB3 ALA 8 3HB ALA 8 4.178 0.124 4.551 47 H ILE 9 H ILE 9 1.412 2.529 3.661 48 HA ILE 9 HA ILE 9 -0.218 0.497 2.546 49 HB ILE 9 HB ILE 9 -0.682 3.287 3.472 50 HG12 ILE 9 2HG1 ILE 9 -0.015 1.533 5.199 51 HG13 ILE 9 3HG1 ILE 9 -1.351 2.640 5.407 52 HG21 ILE 9 1HG2 ILE 9 -3.116 2.734 3.495 53 HG22 ILE 9 2HG2 ILE 9 -2.334 2.602 1.826 54 HG23 ILE 9 3HG2 ILE 9 -2.779 1.213 2.738 55 HD11 ILE 9 3HD1 ILE 9 -1.556 -0.387 4.676 56 HD12 ILE 9 1HD1 ILE 9 -1.798 0.215 6.298 57 HD13 ILE 9 2HD1 ILE 9 -2.907 0.749 5.154 58 H LYS 10 H LYS 10 0.496 3.757 1.335 59 HA LYS 10 HA LYS 10 -0.629 3.507 -1.198 60 HB2 LYS 10 2HB LYS 10 0.205 5.522 0.150 61 HB3 LYS 10 3HB LYS 10 1.780 5.006 -0.464 62 HG2 LYS 10 2HG LYS 10 0.783 5.242 -2.825 63 HG3 LYS 10 3HG LYS 10 -0.722 5.752 -2.075 64 HD2 LYS 10 2HD LYS 10 0.512 7.815 -1.156 65 HD3 LYS 10 3HD LYS 10 1.947 7.072 -2.044 66 HE2 LYS 10 2HE LYS 10 0.556 7.041 -4.090 67 HE3 LYS 10 3HE LYS 10 -0.447 8.257 -3.447 68 HZ1 LYS 10 3HZ LYS 10 2.459 8.384 -3.965 69 HZ2 LYS 10 1HZ LYS 10 1.370 9.454 -4.518 70 HZ3 LYS 10 2HZ LYS 10 1.661 9.463 -2.976 71 H ALA 11 H ALA 11 2.191 2.083 -0.080 72 HA ALA 11 HA ALA 11 3.398 1.584 -2.767 73 HB1 ALA 11 1HB ALA 11 4.524 0.725 -0.019 74 HB2 ALA 11 2HB ALA 11 5.221 0.466 -1.651 75 HB3 ALA 11 3HB ALA 11 5.071 2.077 -1.066 76 H ILE 12 H ILE 12 1.947 -0.533 -0.118 77 HA ILE 12 HA ILE 12 1.653 -2.535 -2.000 78 HB ILE 12 HB ILE 12 -0.110 -3.457 -0.388 79 HG12 ILE 12 2HG1 ILE 12 0.764 -1.275 1.424 80 HG13 ILE 12 3HG1 ILE 12 -0.757 -1.305 0.463 81 HG21 ILE 12 1HG2 ILE 12 1.476 -4.469 0.962 82 HG22 ILE 12 2HG2 ILE 12 2.247 -4.038 -0.557 83 HG23 ILE 12 3HG2 ILE 12 2.514 -2.999 0.917 84 HD11 ILE 12 3HD1 ILE 12 -0.026 -3.236 2.590 85 HD12 ILE 12 1HD1 ILE 12 -1.341 -2.091 2.624 86 HD13 ILE 12 2HD1 ILE 12 -1.441 -3.467 1.548 87 H ALA 13 H ALA 13 -0.540 0.199 -1.389 88 HA ALA 13 HA ALA 13 -2.967 -0.871 -2.337 89 HB1 ALA 13 1HB ALA 13 -2.359 1.448 -1.196 90 HB2 ALA 13 2HB ALA 13 -2.043 1.957 -2.887 91 HB3 ALA 13 3HB ALA 13 -3.606 1.409 -2.429 92 H ALA 14 H ALA 14 -0.579 0.685 -4.561 93 HA ALA 14 HA ALA 14 -2.058 -0.256 -6.908 94 HB1 ALA 14 1HB ALA 14 -0.012 0.268 -8.056 95 HB2 ALA 14 2HB ALA 14 -0.205 1.548 -6.795 96 HB3 ALA 14 3HB ALA 14 0.947 0.165 -6.657 97 H ILE 15 H ILE 15 0.191 -1.907 -4.726 98 HA ILE 15 HA ILE 15 0.802 -3.914 -6.635 99 HB ILE 15 HB ILE 15 1.648 -2.848 -4.028 100 HG12 ILE 15 2HG1 ILE 15 3.039 -4.188 -6.365 101 HG13 ILE 15 3HG1 ILE 15 2.710 -2.475 -6.152 102 HG21 ILE 15 1HG2 ILE 15 2.108 -5.822 -4.226 103 HG22 ILE 15 2HG2 ILE 15 2.641 -4.728 -2.980 104 HG23 ILE 15 3HG2 ILE 15 1.006 -4.979 -3.079 105 HD11 ILE 15 3HD1 ILE 15 5.038 -2.909 -5.356 106 HD12 ILE 15 1HD1 ILE 15 4.118 -2.579 -3.955 107 HD13 ILE 15 2HD1 ILE 15 4.421 -4.228 -4.279 108 H ILE 16 H ILE 16 -1.554 -3.432 -4.307 109 HA ILE 16 HA ILE 16 -2.518 -6.090 -4.009 110 HB ILE 16 HB ILE 16 -3.416 -3.367 -3.425 111 HG12 ILE 16 2HG1 ILE 16 -3.528 -5.485 -1.469 112 HG13 ILE 16 3HG1 ILE 16 -1.987 -4.850 -2.015 113 HG21 ILE 16 1HG2 ILE 16 -5.609 -4.246 -4.180 114 HG22 ILE 16 2HG2 ILE 16 -5.402 -5.662 -3.200 115 HG23 ILE 16 3HG2 ILE 16 -5.559 -4.001 -2.470 116 HD11 ILE 16 3HD1 ILE 16 -4.159 -3.059 -0.988 117 HD12 ILE 16 1HD1 ILE 16 -2.901 -3.857 0.081 118 HD13 ILE 16 2HD1 ILE 16 -2.432 -2.739 -1.275 119 H LYS 17 H LYS 17 -2.720 -4.210 -6.882 120 HA LYS 17 HA LYS 17 -5.008 -5.598 -7.964 121 HB2 LYS 17 2HB LYS 17 -2.528 -4.464 -9.350 122 HB3 LYS 17 3HB LYS 17 -3.956 -5.155 -10.132 123 HG2 LYS 17 2HG LYS 17 -5.392 -3.398 -9.018 124 HG3 LYS 17 3HG LYS 17 -3.948 -2.761 -8.188 125 HD2 LYS 17 2HD LYS 17 -2.820 -2.419 -10.402 126 HD3 LYS 17 3HD LYS 17 -4.300 -2.728 -11.212 127 HE2 LYS 17 2HE LYS 17 -5.406 -1.104 -9.544 128 HE3 LYS 17 3HE LYS 17 -3.945 -0.871 -8.776 129 HZ1 LYS 17 3HZ LYS 17 -4.647 -0.185 -11.663 130 HZ2 LYS 17 1HZ LYS 17 -4.697 0.919 -10.389 131 HZ3 LYS 17 2HZ LYS 17 -3.303 0.212 -10.982 132 H ALA 18 H ALA 18 -2.006 -7.018 -7.027 133 HA ALA 18 HA ALA 18 -1.801 -8.941 -8.956 134 HB1 ALA 18 1HB ALA 18 -0.172 -9.848 -7.609 135 HB2 ALA 18 2HB ALA 18 -0.103 -8.219 -7.119 136 HB3 ALA 18 3HB ALA 18 -0.885 -9.315 -6.061 137 H GLY 19 H GLY 19 -4.024 -8.861 -6.260 138 HA2 GLY 19 2HA GLY 19 -6.212 -10.176 -6.779 139 HA3 GLY 19 3HA GLY 19 -5.154 -11.475 -7.141 140 H GLY 20 H GLY 20 -6.947 -10.373 -4.917 141 HA2 GLY 20 2HA GLY 20 -7.693 -11.228 -2.895 142 HA3 GLY 20 3HA GLY 20 -6.383 -12.345 -2.924 143 H HIS 21 H HIS 21 -4.795 -9.311 -2.991 144 HA HIS 21 HA HIS 21 -4.113 -9.717 -0.231 145 HB2 HIS 21 2HB HIS 21 -3.624 -7.562 -2.358 146 HB3 HIS 21 3HB HIS 21 -2.646 -7.607 -0.963 147 HD1 HIS 21 1HD HIS 21 -2.674 -11.204 -1.924 148 HD2 HIS 21 2HD HIS 21 -1.078 -7.502 -3.446 149 HE1 HIS 21 1HE HIS 21 -0.548 -11.691 -3.218 150 HE2 HIS 21 2HE HIS 21 0.314 -9.553 -4.209 151 HN1 NH2 22 HN1 NH2 22 -6.516 -7.852 -1.841 152 H1 ACE 23 H1 ACE 23 -1.580 -15.971 -3.140 153 H2 ACE 23 H2 ACE 23 -0.385 -16.663 -4.109 154 H3 ACE 23 H3 ACE 23 -1.347 -17.731 -2.991 155 H ALA 24 H ALA 24 0.582 -18.549 -1.938 156 HA ALA 24 HA ALA 24 1.690 -17.019 0.286 157 HB1 ALA 24 1HB ALA 24 3.285 -18.862 0.308 158 HB2 ALA 24 2HB ALA 24 1.691 -19.424 0.302 159 HB3 ALA 24 3HB ALA 24 2.733 -19.472 -1.241 160 H LYS 25 H LYS 25 3.001 -17.804 -2.867 161 HA LYS 25 HA LYS 25 5.309 -16.231 -2.809 162 HB2 LYS 25 2HB LYS 25 4.859 -18.193 -4.280 163 HB3 LYS 25 3HB LYS 25 3.729 -17.112 -5.170 164 HG2 LYS 25 2HG LYS 25 5.595 -15.618 -5.765 165 HG3 LYS 25 3HG LYS 25 6.630 -16.714 -4.876 166 HD2 LYS 25 2HD LYS 25 6.070 -18.515 -6.653 167 HD3 LYS 25 3HD LYS 25 4.768 -17.378 -7.208 168 HE2 LYS 25 2HE LYS 25 6.282 -15.766 -7.967 169 HE3 LYS 25 3HE LYS 25 7.689 -16.585 -7.407 170 HZ1 LYS 25 3HZ LYS 25 5.949 -17.721 -9.546 171 HZ2 LYS 25 1HZ LYS 25 7.364 -16.955 -9.834 172 HZ3 LYS 25 2HZ LYS 25 7.321 -18.282 -9.075 173 H ALA 26 H ALA 26 2.026 -15.519 -3.695 174 HA ALA 26 HA ALA 26 2.563 -13.137 -5.214 175 HB1 ALA 26 1HB ALA 26 0.087 -13.044 -5.279 176 HB2 ALA 26 2HB ALA 26 0.599 -14.716 -5.563 177 HB3 ALA 26 3HB ALA 26 -0.016 -14.085 -3.981 178 H ALA 27 H ALA 27 1.010 -13.458 -1.869 179 HA ALA 27 HA ALA 27 1.390 -10.968 -1.003 180 HB1 ALA 27 1HB ALA 27 1.018 -11.770 1.071 181 HB2 ALA 27 2HB ALA 27 0.098 -12.740 0.076 182 HB3 ALA 27 3HB ALA 27 1.555 -13.441 0.715 183 H ALA 28 H ALA 28 3.857 -13.662 -0.812 184 HA ALA 28 HA ALA 28 5.845 -12.312 0.587 185 HB1 ALA 28 1HB ALA 28 6.220 -14.419 -1.660 186 HB2 ALA 28 2HB ALA 28 7.288 -14.073 -0.246 187 HB3 ALA 28 3HB ALA 28 5.889 -14.695 0.131 188 H ALA 29 H ALA 29 5.024 -11.901 -2.810 189 HA ALA 29 HA ALA 29 7.413 -10.357 -3.330 190 HB1 ALA 29 1HB ALA 29 6.860 -11.226 -5.192 191 HB2 ALA 29 2HB ALA 29 5.131 -11.233 -4.948 192 HB3 ALA 29 3HB ALA 29 5.922 -9.745 -5.516 193 H ALA 30 H ALA 30 4.070 -9.638 -2.405 194 HA ALA 30 HA ALA 30 4.490 -6.776 -2.625 195 HB1 ALA 30 1HB ALA 30 2.243 -7.621 -2.581 196 HB2 ALA 30 2HB ALA 30 2.438 -7.974 -0.790 197 HB3 ALA 30 3HB ALA 30 2.606 -6.402 -1.546 198 H ILE 31 H ILE 31 4.418 -8.915 0.107 199 HA ILE 31 HA ILE 31 5.334 -7.312 2.239 200 HB ILE 31 HB ILE 31 5.610 -10.313 1.843 201 HG12 ILE 31 2HG1 ILE 31 3.233 -9.284 1.842 202 HG13 ILE 31 3HG1 ILE 31 3.661 -10.638 2.944 203 HG21 ILE 31 1HG2 ILE 31 5.776 -8.801 4.378 204 HG22 ILE 31 2HG2 ILE 31 5.704 -10.512 4.198 205 HG23 ILE 31 3HG2 ILE 31 7.135 -9.774 3.520 206 HD11 ILE 31 3HD1 ILE 31 3.624 -9.266 4.867 207 HD12 ILE 31 1HD1 ILE 31 3.276 -7.858 3.672 208 HD13 ILE 31 2HD1 ILE 31 2.129 -9.242 4.011 209 H LYS 32 H LYS 32 7.219 -9.060 -0.160 210 HA LYS 32 HA LYS 32 9.722 -8.500 1.030 211 HB2 LYS 32 2HB LYS 32 9.278 -9.947 -0.979 212 HB3 LYS 32 3HB LYS 32 9.005 -8.436 -1.877 213 HG2 LYS 32 2HG LYS 32 11.142 -9.533 -2.465 214 HG3 LYS 32 3HG LYS 32 11.410 -7.913 -1.765 215 HD2 LYS 32 2HD LYS 32 11.773 -8.728 0.399 216 HD3 LYS 32 3HD LYS 32 11.811 -10.391 -0.011 217 HE2 LYS 32 2HE LYS 32 13.586 -9.838 -1.751 218 HE3 LYS 32 3HE LYS 32 13.887 -8.400 -0.851 219 HZ1 LYS 32 3HZ LYS 32 14.076 -9.673 1.114 220 HZ2 LYS 32 1HZ LYS 32 13.712 -11.077 0.421 221 HZ3 LYS 32 2HZ LYS 32 15.114 -10.348 -0.003 222 H ALA 33 H ALA 33 7.828 -6.240 -0.857 223 HA ALA 33 HA ALA 33 9.913 -4.208 -1.019 224 HB1 ALA 33 1HB ALA 33 7.981 -4.557 -2.703 225 HB2 ALA 33 2HB ALA 33 6.875 -4.100 -1.437 226 HB3 ALA 33 3HB ALA 33 8.147 -2.966 -1.966 227 H ILE 34 H ILE 34 7.098 -4.729 0.907 228 HA ILE 34 HA ILE 34 7.400 -2.146 2.241 229 HB ILE 34 HB ILE 34 5.574 -2.910 3.833 230 HG12 ILE 34 2HG1 ILE 34 4.834 -4.976 1.849 231 HG13 ILE 34 3HG1 ILE 34 5.678 -5.295 3.380 232 HG21 ILE 34 1HG2 ILE 34 4.642 -2.612 1.024 233 HG22 ILE 34 2HG2 ILE 34 3.842 -1.921 2.450 234 HG23 ILE 34 3HG2 ILE 34 5.334 -1.276 1.868 235 HD11 ILE 34 3HD1 ILE 34 3.239 -5.610 3.643 236 HD12 ILE 34 1HD1 ILE 34 3.853 -4.436 4.730 237 HD13 ILE 34 2HD1 ILE 34 2.961 -3.965 3.254 238 H ALA 35 H ALA 35 8.261 -5.430 3.068 239 HA ALA 35 HA ALA 35 8.644 -5.232 5.762 240 HB1 ALA 35 1HB ALA 35 10.137 -6.986 5.657 241 HB2 ALA 35 2HB ALA 35 9.117 -7.323 4.268 242 HB3 ALA 35 3HB ALA 35 10.710 -6.542 3.967 243 H ALA 36 H ALA 36 11.123 -4.214 3.509 244 HA ALA 36 HA ALA 36 12.813 -3.111 5.586 245 HB1 ALA 36 1HB ALA 36 13.809 -1.887 3.597 246 HB2 ALA 36 2HB ALA 36 13.802 -3.657 3.543 247 HB3 ALA 36 3HB ALA 36 12.572 -2.727 2.584 248 H ILE 37 H ILE 37 10.076 -1.853 3.798 249 HA ILE 37 HA ILE 37 10.262 0.859 4.622 250 HB ILE 37 HB ILE 37 8.567 -0.722 2.886 251 HG12 ILE 37 2HG1 ILE 37 8.385 2.201 3.374 252 HG13 ILE 37 3HG1 ILE 37 9.833 1.548 2.658 253 HG21 ILE 37 1HG2 ILE 37 6.787 -0.811 4.662 254 HG22 ILE 37 2HG2 ILE 37 6.831 0.931 4.705 255 HG23 ILE 37 3HG2 ILE 37 6.419 0.132 3.185 256 HD11 ILE 37 3HD1 ILE 37 8.107 0.437 0.912 257 HD12 ILE 37 1HD1 ILE 37 7.164 1.818 1.572 258 HD13 ILE 37 2HD1 ILE 37 8.624 2.187 0.796 259 H ILE 38 H ILE 38 8.896 -2.099 6.244 260 HA ILE 38 HA ILE 38 7.370 -0.738 8.194 261 HB ILE 38 HB ILE 38 8.331 -3.456 7.419 262 HG12 ILE 38 2HG1 ILE 38 5.619 -2.690 8.472 263 HG13 ILE 38 3HG1 ILE 38 6.020 -2.129 6.872 264 HG21 ILE 38 1HG2 ILE 38 7.490 -2.776 10.324 265 HG22 ILE 38 2HG2 ILE 38 7.407 -4.306 9.549 266 HG23 ILE 38 3HG2 ILE 38 8.958 -3.579 9.730 267 HD11 ILE 38 3HD1 ILE 38 6.290 -5.001 7.611 268 HD12 ILE 38 1HD1 ILE 38 4.759 -4.114 7.084 269 HD13 ILE 38 2HD1 ILE 38 6.207 -4.260 5.967 270 H LYS 39 H LYS 39 10.722 -1.523 8.004 271 HA LYS 39 HA LYS 39 11.231 -0.945 10.755 272 HB2 LYS 39 2HB LYS 39 13.125 -0.281 8.480 273 HB3 LYS 39 3HB LYS 39 13.541 -0.615 10.132 274 HG2 LYS 39 2HG LYS 39 12.237 -2.585 8.176 275 HG3 LYS 39 3HG LYS 39 13.925 -2.525 8.418 276 HD2 LYS 39 2HD LYS 39 13.410 -2.980 10.940 277 HD3 LYS 39 3HD LYS 39 11.713 -3.158 10.578 278 HE2 LYS 39 2HE LYS 39 12.181 -4.934 8.983 279 HE3 LYS 39 3HE LYS 39 13.804 -5.134 9.483 280 HZ1 LYS 39 3HZ LYS 39 11.639 -5.233 11.374 281 HZ2 LYS 39 1HZ LYS 39 12.388 -6.535 10.557 282 HZ3 LYS 39 2HZ LYS 39 13.234 -5.556 11.605 283 H ALA 40 H ALA 40 10.104 1.345 8.390 284 HA ALA 40 HA ALA 40 11.062 3.803 9.333 285 HB1 ALA 40 1HB ALA 40 9.168 4.669 8.536 286 HB2 ALA 40 2HB ALA 40 9.645 3.508 7.357 287 HB3 ALA 40 3HB ALA 40 8.297 3.023 8.441 288 H GLY 41 H GLY 41 9.255 1.303 11.127 289 HA2 GLY 41 2HA GLY 41 9.320 2.596 13.531 290 HA3 GLY 41 3HA GLY 41 7.703 2.920 12.792 291 H GLY 42 H GLY 42 6.816 1.824 14.561 292 HA2 GLY 42 2HA GLY 42 6.925 -1.107 14.595 293 HA3 GLY 42 3HA GLY 42 5.895 -0.073 15.642 294 H HIS 43 H HIS 43 6.228 -0.218 11.985 295 HA HIS 43 HA HIS 43 3.337 -0.572 11.549 296 HB2 HIS 43 2HB HIS 43 5.788 -0.940 9.834 297 HB3 HIS 43 3HB HIS 43 4.123 -1.016 9.316 298 HD1 HIS 43 1HD HIS 43 3.669 1.956 11.299 299 HD2 HIS 43 2HD HIS 43 6.397 0.979 8.277 300 HE1 HIS 43 1HE HIS 43 4.175 4.140 9.931 301 HE2 HIS 43 2HE HIS 43 5.791 3.612 8.267 302 HN1 NH2 44 HN1 NH2 44 2.261 -2.303 10.654 303 H1 ACE 45 H1 ACE 45 -9.345 8.216 8.574 304 H2 ACE 45 H2 ACE 45 -8.394 9.287 7.485 305 H3 ACE 45 H3 ACE 45 -9.266 7.945 6.860 306 H ALA 46 H ALA 46 -6.495 9.071 8.801 307 HA ALA 46 HA ALA 46 -4.695 6.960 8.645 308 HB1 ALA 46 1HB ALA 46 -3.818 8.007 10.757 309 HB2 ALA 46 2HB ALA 46 -4.071 9.141 9.355 310 HB3 ALA 46 3HB ALA 46 -5.105 9.041 10.806 311 H LYS 47 H LYS 47 -7.642 7.074 10.652 312 HA LYS 47 HA LYS 47 -6.881 5.113 12.477 313 HB2 LYS 47 2HB LYS 47 -9.308 5.120 13.007 314 HB3 LYS 47 3HB LYS 47 -8.751 6.764 12.687 315 HG2 LYS 47 2HG LYS 47 -9.617 6.460 10.280 316 HG3 LYS 47 3HG LYS 47 -10.547 5.099 10.871 317 HD2 LYS 47 2HD LYS 47 -11.367 6.427 12.805 318 HD3 LYS 47 3HD LYS 47 -10.535 7.856 12.179 319 HE2 LYS 47 2HE LYS 47 -11.864 7.759 10.083 320 HE3 LYS 47 3HE LYS 47 -12.688 6.359 10.814 321 HZ1 LYS 47 3HZ LYS 47 -13.372 7.672 12.534 322 HZ2 LYS 47 1HZ LYS 47 -12.598 9.091 11.963 323 HZ3 LYS 47 2HZ LYS 47 -13.911 8.509 11.235 324 H ALA 48 H ALA 48 -8.461 4.841 9.446 325 HA ALA 48 HA ALA 48 -8.967 2.139 9.377 326 HB1 ALA 48 1HB ALA 48 -8.567 3.849 6.846 327 HB2 ALA 48 2HB ALA 48 -9.430 2.305 7.113 328 HB3 ALA 48 3HB ALA 48 -10.059 3.837 7.812 329 H ALA 49 H ALA 49 -6.249 3.862 7.817 330 HA ALA 49 HA ALA 49 -4.515 1.564 7.392 331 HB1 ALA 49 1HB ALA 49 -2.797 3.310 7.139 332 HB2 ALA 49 2HB ALA 49 -4.340 3.985 6.483 333 HB3 ALA 49 3HB ALA 49 -3.780 4.401 8.079 334 H ALA 50 H ALA 50 -5.020 3.525 10.317 335 HA ALA 50 HA ALA 50 -2.729 2.408 11.565 336 HB1 ALA 50 1HB ALA 50 -3.817 4.370 12.531 337 HB2 ALA 50 2HB ALA 50 -5.262 3.348 12.959 338 HB3 ALA 50 3HB ALA 50 -3.628 3.086 13.599 339 H ALA 51 H ALA 51 -6.054 1.321 11.286 340 HA ALA 51 HA ALA 51 -5.940 -1.172 12.778 341 HB1 ALA 51 1HB ALA 51 -7.986 -0.434 10.612 342 HB2 ALA 51 2HB ALA 51 -8.169 -1.418 12.128 343 HB3 ALA 51 3HB ALA 51 -7.912 0.317 12.172 344 H ALA 52 H ALA 52 -5.393 -0.640 9.326 345 HA ALA 52 HA ALA 52 -4.840 -3.404 8.666 346 HB1 ALA 52 1HB ALA 52 -3.908 -0.831 7.551 347 HB2 ALA 52 2HB ALA 52 -3.715 -2.449 6.827 348 HB3 ALA 52 3HB ALA 52 -5.357 -1.840 6.983 349 H ILE 53 H ILE 53 -2.769 -0.682 9.447 350 HA ILE 53 HA ILE 53 -0.345 -2.093 9.543 351 HB ILE 53 HB ILE 53 -1.430 0.491 10.921 352 HG12 ILE 53 2HG1 ILE 53 -1.326 1.069 8.698 353 HG13 ILE 53 3HG1 ILE 53 -0.008 1.781 9.584 354 HG21 ILE 53 1HG2 ILE 53 0.507 -0.320 12.274 355 HG22 ILE 53 2HG2 ILE 53 1.476 -0.504 10.845 356 HG23 ILE 53 3HG2 ILE 53 1.054 1.005 11.503 357 HD11 ILE 53 3HD1 ILE 53 0.138 -0.697 7.680 358 HD12 ILE 53 1HD1 ILE 53 0.806 0.847 7.317 359 HD13 ILE 53 2HD1 ILE 53 1.465 -0.155 8.618 360 H LYS 54 H LYS 54 -2.549 -1.756 11.965 361 HA LYS 54 HA LYS 54 -1.052 -3.369 13.935 362 HB2 LYS 54 2HB LYS 54 -3.599 -1.758 14.138 363 HB3 LYS 54 3HB LYS 54 -3.069 -2.741 15.465 364 HG2 LYS 54 2HG LYS 54 -0.733 -1.708 15.133 365 HG3 LYS 54 3HG LYS 54 -1.483 -0.496 14.067 366 HD2 LYS 54 2HD LYS 54 -2.288 -0.648 16.870 367 HD3 LYS 54 3HD LYS 54 -0.964 0.304 16.281 368 HE2 LYS 54 2HE LYS 54 -2.523 1.568 14.803 369 HE3 LYS 54 3HE LYS 54 -3.874 0.547 15.211 370 HZ1 LYS 54 3HZ LYS 54 -2.425 2.259 17.186 371 HZ2 LYS 54 1HZ LYS 54 -3.929 2.389 16.634 372 HZ3 LYS 54 2HZ LYS 54 -3.535 1.138 17.560 373 H ALA 55 H ALA 55 -3.095 -4.282 11.483 374 HA ALA 55 HA ALA 55 -3.887 -6.778 12.778 375 HB1 ALA 55 1HB ALA 55 -4.182 -6.276 9.801 376 HB2 ALA 55 2HB ALA 55 -5.088 -7.348 10.971 377 HB3 ALA 55 3HB ALA 55 -5.325 -5.598 10.905 378 H ILE 56 H ILE 56 -1.540 -5.298 10.759 379 HA ILE 56 HA ILE 56 -0.056 -7.892 10.618 380 HB ILE 56 HB ILE 56 1.355 -7.113 9.011 381 HG12 ILE 56 2HG1 ILE 56 -0.328 -4.565 8.784 382 HG13 ILE 56 3HG1 ILE 56 1.252 -4.700 9.638 383 HG21 ILE 56 1HG2 ILE 56 -0.258 -6.927 7.181 384 HG22 ILE 56 2HG2 ILE 56 -0.716 -8.217 8.398 385 HG23 ILE 56 3HG2 ILE 56 -1.513 -6.543 8.307 386 HD11 ILE 56 3HD1 ILE 56 1.604 -3.780 7.500 387 HD12 ILE 56 1HD1 ILE 56 2.372 -5.411 7.690 388 HD13 ILE 56 2HD1 ILE 56 0.768 -5.123 6.750 389 H ALA 57 H ALA 57 0.849 -4.710 12.106 390 HA ALA 57 HA ALA 57 3.310 -5.068 12.684 391 HB1 ALA 57 1HB ALA 57 1.373 -4.143 14.769 392 HB2 ALA 57 2HB ALA 57 3.150 -3.787 14.473 393 HB3 ALA 57 3HB ALA 57 1.862 -3.232 13.399 394 H ALA 58 H ALA 58 0.923 -6.865 14.845 395 HA ALA 58 HA ALA 58 3.255 -8.146 15.999 396 HB1 ALA 58 1HB ALA 58 1.405 -9.535 17.236 397 HB2 ALA 58 2HB ALA 58 1.213 -7.739 17.213 398 HB3 ALA 58 3HB ALA 58 0.263 -8.814 16.191 399 H ILE 59 H ILE 59 1.084 -8.959 13.347 400 HA ILE 59 HA ILE 59 1.739 -11.780 13.120 401 HB ILE 59 HB ILE 59 -0.027 -9.799 11.879 402 HG12 ILE 59 2HG1 ILE 59 0.532 -12.745 11.334 403 HG13 ILE 59 3HG1 ILE 59 -0.533 -12.212 12.625 404 HG21 ILE 59 1HG2 ILE 59 1.579 -9.377 10.126 405 HG22 ILE 59 2HG2 ILE 59 1.588 -11.113 9.815 406 HG23 ILE 59 3HG2 ILE 59 0.083 -10.212 9.549 407 HD11 ILE 59 3HD1 ILE 59 -1.859 -10.952 10.898 408 HD12 ILE 59 1HD1 ILE 59 -1.168 -12.067 9.698 409 HD13 ILE 59 2HD1 ILE 59 -2.071 -12.678 11.121 410 H ILE 60 H ILE 60 3.586 -8.932 12.348 411 HA ILE 60 HA ILE 60 5.202 -9.879 10.218 412 HB ILE 60 HB ILE 60 4.991 -7.577 11.971 413 HG12 ILE 60 2HG1 ILE 60 5.675 -7.773 9.035 414 HG13 ILE 60 3HG1 ILE 60 4.026 -8.109 9.640 415 HG21 ILE 60 1HG2 ILE 60 7.683 -8.233 10.673 416 HG22 ILE 60 2HG2 ILE 60 7.112 -6.658 11.100 417 HG23 ILE 60 3HG2 ILE 60 7.176 -7.744 12.440 418 HD11 ILE 60 3HD1 ILE 60 3.595 -5.888 10.362 419 HD12 ILE 60 1HD1 ILE 60 5.315 -5.456 10.255 420 HD13 ILE 60 2HD1 ILE 60 4.523 -5.799 8.841 421 H LYS 61 H LYS 61 5.178 -10.494 13.566 422 HA LYS 61 HA LYS 61 8.009 -11.149 13.780 423 HB2 LYS 61 2HB LYS 61 5.595 -11.688 15.545 424 HB3 LYS 61 3HB LYS 61 7.168 -12.288 15.974 425 HG2 LYS 61 2HG LYS 61 8.009 -10.138 16.412 426 HG3 LYS 61 3HG LYS 61 6.938 -9.371 15.230 427 HD2 LYS 61 2HD LYS 61 5.098 -9.356 16.608 428 HD3 LYS 61 3HD LYS 61 5.721 -10.603 17.663 429 HE2 LYS 61 2HE LYS 61 7.514 -8.862 18.351 430 HE3 LYS 61 3HE LYS 61 6.550 -7.667 17.596 431 HZ1 LYS 61 3HZ LYS 61 5.676 -9.631 19.610 432 HZ2 LYS 61 1HZ LYS 61 6.050 -8.015 19.945 433 HZ3 LYS 61 2HZ LYS 61 4.678 -8.432 19.241 434 H ALA 62 H ALA 62 5.589 -12.657 12.234 435 HA ALA 62 HA ALA 62 6.187 -15.423 12.728 436 HB1 ALA 62 1HB ALA 62 4.300 -15.885 11.354 437 HB2 ALA 62 2HB ALA 62 4.073 -14.584 12.547 438 HB3 ALA 62 3HB ALA 62 4.274 -14.250 10.774 439 H GLY 63 H GLY 63 7.086 -13.193 10.207 440 HA2 GLY 63 2HA GLY 63 8.232 -15.430 8.647 441 HA3 GLY 63 3HA GLY 63 6.980 -14.394 7.981 442 H GLY 64 H GLY 64 9.519 -13.084 9.710 443 HA2 GLY 64 2HA GLY 64 11.533 -11.784 9.111 444 HA3 GLY 64 3HA GLY 64 11.479 -12.744 7.655 445 H HIS 65 H HIS 65 8.666 -11.214 8.086 446 HA HIS 65 HA HIS 65 8.517 -9.073 6.224 447 HB2 HIS 65 2HB HIS 65 6.989 -9.525 8.864 448 HB3 HIS 65 3HB HIS 65 6.230 -8.865 7.436 449 HD1 HIS 65 1HD HIS 65 7.357 -11.357 5.531 450 HD2 HIS 65 2HD HIS 65 4.832 -11.248 8.880 451 HE1 HIS 65 1HE HIS 65 5.656 -13.540 5.540 452 HE2 HIS 65 2HE HIS 65 4.446 -13.440 7.558 453 HN1 NH2 66 HN1 NH2 66 10.148 -9.050 9.211 454 H1 ACE 67 H1 ACE 67 8.697 -16.559 4.359 455 H2 ACE 67 H2 ACE 67 7.704 -15.524 5.373 456 H3 ACE 67 H3 ACE 67 7.751 -17.294 5.613 457 H ALA 68 H ALA 68 7.410 -18.369 3.216 458 HA ALA 68 HA ALA 68 5.773 -17.119 1.367 459 HB1 ALA 68 1HB ALA 68 7.106 -19.044 1.056 460 HB2 ALA 68 2HB ALA 68 5.968 -20.074 1.989 461 HB3 ALA 68 3HB ALA 68 5.599 -19.406 0.388 462 H LYS 69 H LYS 69 4.538 -19.549 3.670 463 HA LYS 69 HA LYS 69 1.883 -18.722 3.251 464 HB2 LYS 69 2HB LYS 69 3.101 -20.953 4.806 465 HB3 LYS 69 3HB LYS 69 1.915 -20.072 5.755 466 HG2 LYS 69 2HG LYS 69 0.353 -20.362 3.624 467 HG3 LYS 69 3HG LYS 69 1.731 -21.359 2.993 468 HD2 LYS 69 2HD LYS 69 1.395 -23.073 4.621 469 HD3 LYS 69 3HD LYS 69 -0.064 -22.247 5.251 470 HE2 LYS 69 2HE LYS 69 -1.125 -23.496 3.865 471 HE3 LYS 69 3HE LYS 69 -0.969 -22.129 2.839 472 HZ1 LYS 69 3HZ LYS 69 -0.369 -24.154 1.673 473 HZ2 LYS 69 1HZ LYS 69 0.876 -23.244 1.689 474 HZ3 LYS 69 2HZ LYS 69 0.777 -24.517 2.723 475 H ALA 70 H ALA 70 4.265 -17.795 5.580 476 HA ALA 70 HA ALA 70 2.460 -16.378 7.175 477 HB1 ALA 70 1HB ALA 70 4.721 -16.577 8.056 478 HB2 ALA 70 2HB ALA 70 5.469 -15.817 6.685 479 HB3 ALA 70 3HB ALA 70 4.464 -14.905 7.874 480 H ALA 71 H ALA 71 4.127 -15.038 4.321 481 HA ALA 71 HA ALA 71 3.065 -12.385 4.229 482 HB1 ALA 71 1HB ALA 71 4.831 -13.194 2.687 483 HB2 ALA 71 2HB ALA 71 3.799 -14.277 1.975 484 HB3 ALA 71 3HB ALA 71 3.343 -12.532 1.932 485 H ALA 72 H ALA 72 1.656 -15.439 2.804 486 HA ALA 72 HA ALA 72 -0.735 -14.282 2.158 487 HB1 ALA 72 1HB ALA 72 -0.116 -16.307 1.135 488 HB2 ALA 72 2HB ALA 72 0.142 -17.167 2.758 489 HB3 ALA 72 3HB ALA 72 -1.417 -16.718 1.971 490 H ALA 73 H ALA 73 0.083 -15.756 5.325 491 HA ALA 73 HA ALA 73 -2.609 -15.783 6.277 492 HB1 ALA 73 1HB ALA 73 -0.732 -17.112 7.185 493 HB2 ALA 73 2HB ALA 73 -0.127 -15.534 7.823 494 HB3 ALA 73 3HB ALA 73 -1.735 -16.186 8.310 495 H ALA 74 H ALA 74 0.040 -13.241 6.464 496 HA ALA 74 HA ALA 74 -1.404 -11.355 7.942 497 HB1 ALA 74 1HB ALA 74 0.907 -11.130 5.888 498 HB2 ALA 74 2HB ALA 74 0.347 -9.880 6.942 499 HB3 ALA 74 3HB ALA 74 1.039 -11.308 7.684 500 H ILE 75 H ILE 75 -1.038 -11.845 4.489 501 HA ILE 75 HA ILE 75 -2.655 -9.594 3.522 502 HB ILE 75 HB ILE 75 -1.153 -11.827 2.385 503 HG12 ILE 75 2HG1 ILE 75 -0.956 -10.534 0.565 504 HG13 ILE 75 3HG1 ILE 75 -2.311 -9.554 0.941 505 HG21 ILE 75 1HG2 ILE 75 -2.458 -12.440 0.702 506 HG22 ILE 75 2HG2 ILE 75 -3.375 -12.951 2.197 507 HG23 ILE 75 3HG2 ILE 75 -3.764 -11.510 1.113 508 HD11 ILE 75 3HD1 ILE 75 0.105 -8.483 1.274 509 HD12 ILE 75 1HD1 ILE 75 -0.755 -8.510 2.875 510 HD13 ILE 75 2HD1 ILE 75 0.363 -9.679 2.414 511 H LYS 76 H LYS 76 -3.351 -12.744 4.666 512 HA LYS 76 HA LYS 76 -6.263 -12.523 4.220 513 HB2 LYS 76 2HB LYS 76 -4.672 -14.619 4.470 514 HB3 LYS 76 3HB LYS 76 -5.038 -14.321 6.228 515 HG2 LYS 76 2HG LYS 76 -7.448 -14.473 5.786 516 HG3 LYS 76 3HG LYS 76 -6.952 -15.057 4.160 517 HD2 LYS 76 2HD LYS 76 -5.558 -16.804 5.280 518 HD3 LYS 76 3HD LYS 76 -6.240 -16.370 6.815 519 HE2 LYS 76 2HE LYS 76 -7.691 -17.572 4.413 520 HE3 LYS 76 3HE LYS 76 -7.324 -18.291 6.013 521 HZ1 LYS 76 3HZ LYS 76 -9.370 -16.296 5.436 522 HZ2 LYS 76 1HZ LYS 76 -9.523 -17.748 6.153 523 HZ3 LYS 76 2HZ LYS 76 -8.813 -16.508 6.929 524 H ALA 77 H ALA 77 -4.306 -11.117 6.591 525 HA ALA 77 HA ALA 77 -6.521 -10.794 8.539 526 HB1 ALA 77 1HB ALA 77 -4.384 -11.569 9.310 527 HB2 ALA 77 2HB ALA 77 -3.635 -9.930 8.956 528 HB3 ALA 77 3HB ALA 77 -4.823 -10.124 10.144 529 H ILE 78 H ILE 78 -5.036 -9.092 5.780 530 HA ILE 78 HA ILE 78 -6.420 -6.687 6.620 531 HB ILE 78 HB ILE 78 -4.968 -5.527 5.101 532 HG12 ILE 78 2HG1 ILE 78 -3.125 -7.984 5.295 533 HG13 ILE 78 3HG1 ILE 78 -4.075 -7.412 3.881 534 HG21 ILE 78 1HG2 ILE 78 -4.801 -5.535 7.567 535 HG22 ILE 78 2HG2 ILE 78 -3.519 -6.755 7.505 536 HG23 ILE 78 3HG2 ILE 78 -3.245 -5.179 6.852 537 HD11 ILE 78 3HD1 ILE 78 -2.862 -5.066 4.340 538 HD12 ILE 78 1HD1 ILE 78 -1.710 -5.980 5.215 539 HD13 ILE 78 2HD1 ILE 78 -1.989 -6.264 3.494 540 H ALA 79 H ALA 79 -6.201 -8.942 3.796 541 HA ALA 79 HA ALA 79 -7.225 -7.369 1.851 542 HB1 ALA 79 1HB ALA 79 -7.912 -10.177 2.321 543 HB2 ALA 79 2HB ALA 79 -7.836 -9.314 0.849 544 HB3 ALA 79 3HB ALA 79 -6.279 -9.577 1.775 545 H ALA 80 H ALA 80 -9.342 -7.902 4.640 546 HA ALA 80 HA ALA 80 -11.664 -7.272 3.189 547 HB1 ALA 80 1HB ALA 80 -12.127 -7.678 5.986 548 HB2 ALA 80 2HB ALA 80 -12.963 -8.207 4.568 549 HB3 ALA 80 3HB ALA 80 -11.565 -9.117 5.213 550 H ILE 81 H ILE 81 -9.673 -6.379 5.899 551 HA ILE 81 HA ILE 81 -10.561 -4.014 6.617 552 HB ILE 81 HB ILE 81 -8.398 -5.670 7.004 553 HG12 ILE 81 2HG1 ILE 81 -9.247 -3.233 8.534 554 HG13 ILE 81 3HG1 ILE 81 -9.975 -4.869 8.535 555 HG21 ILE 81 1HG2 ILE 81 -7.298 -2.800 6.829 556 HG22 ILE 81 2HG2 ILE 81 -6.357 -4.288 7.353 557 HG23 ILE 81 3HG2 ILE 81 -6.978 -4.180 5.737 558 HD11 ILE 81 3HD1 ILE 81 -7.411 -4.083 9.893 559 HD12 ILE 81 1HD1 ILE 81 -8.718 -5.060 10.473 560 HD13 ILE 81 2HD1 ILE 81 -7.740 -5.684 9.110 561 H ILE 82 H ILE 82 -8.335 -4.710 3.838 562 HA ILE 82 HA ILE 82 -7.473 -2.217 3.071 563 HB ILE 82 HB ILE 82 -8.396 -4.724 1.625 564 HG12 ILE 82 2HG1 ILE 82 -6.581 -5.428 2.793 565 HG13 ILE 82 3HG1 ILE 82 -5.922 -5.143 1.180 566 HG21 ILE 82 1HG2 ILE 82 -7.004 -2.291 0.470 567 HG22 ILE 82 2HG2 ILE 82 -7.035 -3.932 -0.366 568 HG23 ILE 82 3HG2 ILE 82 -8.528 -3.182 0.025 569 HD11 ILE 82 3HD1 ILE 82 -5.032 -3.048 1.732 570 HD12 ILE 82 1HD1 ILE 82 -5.471 -3.201 3.460 571 HD13 ILE 82 2HD1 ILE 82 -4.335 -4.318 2.641 572 H LYS 83 H LYS 83 -10.699 -3.492 2.740 573 HA LYS 83 HA LYS 83 -11.658 -1.958 0.514 574 HB2 LYS 83 2HB LYS 83 -12.637 -3.955 1.460 575 HB3 LYS 83 3HB LYS 83 -13.104 -3.161 2.869 576 HG2 LYS 83 2HG LYS 83 -14.443 -1.546 1.221 577 HG3 LYS 83 3HG LYS 83 -13.924 -2.605 -0.073 578 HD2 LYS 83 2HD LYS 83 -16.116 -3.392 0.507 579 HD3 LYS 83 3HD LYS 83 -14.976 -4.522 1.267 580 HE2 LYS 83 2HE LYS 83 -15.184 -2.703 3.307 581 HE3 LYS 83 3HE LYS 83 -16.728 -2.521 2.364 582 HZ1 LYS 83 3HZ LYS 83 -17.270 -4.662 2.708 583 HZ2 LYS 83 1HZ LYS 83 -15.778 -5.113 3.344 584 HZ3 LYS 83 2HZ LYS 83 -16.887 -4.246 4.190 585 H ALA 84 H ALA 84 -10.972 -1.172 3.652 586 HA ALA 84 HA ALA 84 -12.947 0.851 4.307 587 HB1 ALA 84 1HB ALA 84 -10.204 0.597 5.358 588 HB2 ALA 84 2HB ALA 84 -11.420 1.720 5.929 589 HB3 ALA 84 3HB ALA 84 -11.706 -0.115 6.012 590 H GLY 85 H GLY 85 -10.394 1.210 2.120 591 HA2 GLY 85 2HA GLY 85 -11.107 3.926 1.424 592 HA3 GLY 85 3HA GLY 85 -9.679 3.972 2.447 593 H GLY 86 H GLY 86 -8.693 4.783 0.705 594 HA2 GLY 86 2HA GLY 86 -8.007 3.684 -1.840 595 HA3 GLY 86 3HA GLY 86 -7.089 4.861 -0.936 596 H HIS 87 H HIS 87 -7.311 1.894 0.824 597 HA HIS 87 HA HIS 87 -4.596 1.362 0.877 598 HB2 HIS 87 2HB HIS 87 -6.982 -0.418 1.504 599 HB3 HIS 87 3HB HIS 87 -5.395 -0.666 2.164 600 HD1 HIS 87 1HD HIS 87 -5.491 2.953 2.645 601 HD2 HIS 87 2HD HIS 87 -7.690 -0.316 4.057 602 HE1 HIS 87 1HE HIS 87 -6.407 3.689 4.786 603 HE2 HIS 87 2HE HIS 87 -8.036 1.858 5.577 604 HN1 NH2 88 HN1 NH2 88 -6.746 0.482 -1.508 605 HN2 NH2 88 HN2 NH2 88 -5.992 -0.953 -2.207 Start of MODEL 9 1 H1 ACE 1 H1 ACE 1 3.143 6.860 12.885 2 H2 ACE 1 H2 ACE 1 2.836 8.597 12.894 3 H3 ACE 1 H3 ACE 1 1.687 7.399 13.713 4 H ALA 2 H ALA 2 0.753 9.228 11.821 5 HA ALA 2 HA ALA 2 -0.637 7.454 9.960 6 HB1 ALA 2 1HB ALA 2 -1.755 9.425 10.882 7 HB2 ALA 2 2HB ALA 2 -0.585 10.470 10.128 8 HB3 ALA 2 3HB ALA 2 -1.594 9.469 9.052 9 H LYS 3 H LYS 3 1.739 9.990 9.353 10 HA LYS 3 HA LYS 3 2.127 9.495 6.610 11 HB2 LYS 3 2HB LYS 3 2.773 11.617 7.645 12 HB3 LYS 3 3HB LYS 3 3.928 10.742 8.647 13 HG2 LYS 3 2HG LYS 3 5.295 10.249 6.725 14 HG3 LYS 3 3HG LYS 3 4.136 10.759 5.570 15 HD2 LYS 3 2HD LYS 3 4.445 13.152 6.546 16 HD3 LYS 3 3HD LYS 3 5.802 12.421 7.444 17 HE2 LYS 3 2HE LYS 3 6.884 11.743 5.406 18 HE3 LYS 3 3HE LYS 3 5.638 12.433 4.398 19 HZ1 LYS 3 3HZ LYS 3 7.613 13.788 4.629 20 HZ2 LYS 3 1HZ LYS 3 6.231 14.602 5.059 21 HZ3 LYS 3 2HZ LYS 3 7.325 14.030 6.144 22 H ALA 4 H ALA 4 3.781 8.004 9.315 23 HA ALA 4 HA ALA 4 5.465 6.385 7.942 24 HB1 ALA 4 1HB ALA 4 5.396 7.093 10.325 25 HB2 ALA 4 2HB ALA 4 4.105 5.985 10.671 26 HB3 ALA 4 3HB ALA 4 5.656 5.339 9.965 27 H ALA 5 H ALA 5 2.341 5.261 9.493 28 HA ALA 5 HA ALA 5 1.939 2.802 8.102 29 HB1 ALA 5 1HB ALA 5 -0.544 3.536 8.747 30 HB2 ALA 5 2HB ALA 5 0.610 3.411 10.021 31 HB3 ALA 5 3HB ALA 5 0.242 4.994 9.279 32 H ALA 6 H ALA 6 0.935 5.998 7.008 33 HA ALA 6 HA ALA 6 -0.437 5.079 4.586 34 HB1 ALA 6 1HB ALA 6 -0.493 7.495 5.736 35 HB2 ALA 6 2HB ALA 6 0.854 7.839 4.683 36 HB3 ALA 6 3HB ALA 6 -0.778 7.303 4.189 37 H ALA 7 H ALA 7 2.919 6.053 4.894 38 HA ALA 7 HA ALA 7 3.690 5.594 2.210 39 HB1 ALA 7 1HB ALA 7 5.229 4.959 4.735 40 HB2 ALA 7 2HB ALA 7 5.861 5.181 3.047 41 HB3 ALA 7 3HB ALA 7 5.169 6.557 3.914 42 H ALA 8 H ALA 8 3.717 3.081 4.919 43 HA ALA 8 HA ALA 8 4.380 0.989 3.152 44 HB1 ALA 8 1HB ALA 8 2.677 0.809 5.723 45 HB2 ALA 8 2HB ALA 8 3.544 -0.488 4.925 46 HB3 ALA 8 3HB ALA 8 4.512 0.736 5.590 47 H ILE 9 H ILE 9 1.260 2.321 4.159 48 HA ILE 9 HA ILE 9 -0.345 0.389 2.768 49 HB ILE 9 HB ILE 9 -0.985 3.187 3.617 50 HG12 ILE 9 2HG1 ILE 9 -0.658 1.755 5.487 51 HG13 ILE 9 3HG1 ILE 9 -2.360 2.045 5.284 52 HG21 ILE 9 1HG2 ILE 9 -3.384 2.666 3.240 53 HG22 ILE 9 2HG2 ILE 9 -2.422 2.406 1.764 54 HG23 ILE 9 3HG2 ILE 9 -2.855 1.023 2.643 55 HD11 ILE 9 3HD1 ILE 9 -0.998 -0.602 4.521 56 HD12 ILE 9 1HD1 ILE 9 -1.851 -0.129 6.101 57 HD13 ILE 9 2HD1 ILE 9 -2.770 -0.228 4.734 58 H LYS 10 H LYS 10 0.755 3.454 1.518 59 HA LYS 10 HA LYS 10 -0.237 3.176 -1.217 60 HB2 LYS 10 2HB LYS 10 2.008 4.773 0.197 61 HB3 LYS 10 3HB LYS 10 1.487 5.027 -1.470 62 HG2 LYS 10 2HG LYS 10 -0.724 5.753 -0.706 63 HG3 LYS 10 3HG LYS 10 -0.361 5.353 0.943 64 HD2 LYS 10 2HD LYS 10 0.002 7.734 0.825 65 HD3 LYS 10 3HD LYS 10 1.622 7.013 0.670 66 HE2 LYS 10 2HE LYS 10 1.744 7.394 -1.619 67 HE3 LYS 10 3HE LYS 10 0.025 7.559 -1.886 68 HZ1 LYS 10 3HZ LYS 10 1.610 9.598 -0.564 69 HZ2 LYS 10 1HZ LYS 10 1.118 9.627 -2.075 70 HZ3 LYS 10 2HZ LYS 10 0.043 9.647 -0.765 71 H ALA 11 H ALA 11 2.642 1.745 0.505 72 HA ALA 11 HA ALA 11 3.917 1.243 -2.028 73 HB1 ALA 11 1HB ALA 11 5.212 1.790 -0.046 74 HB2 ALA 11 2HB ALA 11 4.660 0.250 0.697 75 HB3 ALA 11 3HB ALA 11 5.666 0.238 -0.701 76 H ILE 12 H ILE 12 1.270 -0.254 -0.173 77 HA ILE 12 HA ILE 12 1.620 -2.627 -1.829 78 HB ILE 12 HB ILE 12 0.332 -3.791 -0.363 79 HG12 ILE 12 2HG1 ILE 12 0.593 -1.357 1.461 80 HG13 ILE 12 3HG1 ILE 12 -0.936 -1.896 0.915 81 HG21 ILE 12 1HG2 ILE 12 2.913 -2.647 0.507 82 HG22 ILE 12 2HG2 ILE 12 2.113 -4.121 1.249 83 HG23 ILE 12 3HG2 ILE 12 2.550 -3.978 -0.490 84 HD11 ILE 12 3HD1 ILE 12 -1.018 -2.950 2.855 85 HD12 ILE 12 1HD1 ILE 12 -0.079 -4.199 2.113 86 HD13 ILE 12 2HD1 ILE 12 0.773 -3.039 3.127 87 H ALA 13 H ALA 13 -0.695 0.036 -1.328 88 HA ALA 13 HA ALA 13 -3.172 -0.940 -2.119 89 HB1 ALA 13 1HB ALA 13 -1.717 1.592 -2.845 90 HB2 ALA 13 2HB ALA 13 -3.402 1.320 -2.993 91 HB3 ALA 13 3HB ALA 13 -2.662 1.364 -1.399 92 H ALA 14 H ALA 14 -0.686 0.007 -4.614 93 HA ALA 14 HA ALA 14 -2.465 -0.806 -6.679 94 HB1 ALA 14 1HB ALA 14 -0.992 1.173 -6.982 95 HB2 ALA 14 2HB ALA 14 0.335 0.155 -6.531 96 HB3 ALA 14 3HB ALA 14 -0.386 -0.175 -8.111 97 H ILE 15 H ILE 15 0.021 -2.203 -4.870 98 HA ILE 15 HA ILE 15 0.704 -4.407 -6.622 99 HB ILE 15 HB ILE 15 1.790 -3.120 -4.326 100 HG12 ILE 15 2HG1 ILE 15 2.963 -5.236 -6.114 101 HG13 ILE 15 3HG1 ILE 15 2.944 -3.429 -6.366 102 HG21 ILE 15 1HG2 ILE 15 0.820 -5.189 -3.008 103 HG22 ILE 15 2HG2 ILE 15 2.014 -5.996 -3.898 104 HG23 ILE 15 3HG2 ILE 15 2.529 -4.632 -2.903 105 HD11 ILE 15 3HD1 ILE 15 5.005 -3.606 -5.561 106 HD12 ILE 15 1HD1 ILE 15 4.068 -3.135 -4.140 107 HD13 ILE 15 2HD1 ILE 15 4.491 -4.829 -4.378 108 H ILE 16 H ILE 16 -1.506 -3.947 -3.972 109 HA ILE 16 HA ILE 16 -2.405 -6.642 -3.623 110 HB ILE 16 HB ILE 16 -2.980 -3.897 -2.819 111 HG12 ILE 16 2HG1 ILE 16 -2.829 -6.538 -1.458 112 HG13 ILE 16 3HG1 ILE 16 -1.444 -5.603 -1.794 113 HG21 ILE 16 1HG2 ILE 16 -5.048 -6.094 -2.617 114 HG22 ILE 16 2HG2 ILE 16 -5.037 -4.536 -1.666 115 HG23 ILE 16 3HG2 ILE 16 -5.258 -4.446 -3.354 116 HD11 ILE 16 3HD1 ILE 16 -2.289 -5.401 0.494 117 HD12 ILE 16 1HD1 ILE 16 -2.340 -3.799 -0.200 118 HD13 ILE 16 2HD1 ILE 16 -3.850 -4.892 -0.052 119 H LYS 17 H LYS 17 -2.917 -4.286 -6.230 120 HA LYS 17 HA LYS 17 -5.213 -5.594 -7.215 121 HB2 LYS 17 2HB LYS 17 -4.312 -3.278 -7.848 122 HB3 LYS 17 3HB LYS 17 -3.100 -4.029 -8.854 123 HG2 LYS 17 2HG LYS 17 -4.861 -5.109 -10.247 124 HG3 LYS 17 3HG LYS 17 -6.047 -4.393 -9.150 125 HD2 LYS 17 2HD LYS 17 -5.237 -2.098 -9.799 126 HD3 LYS 17 3HD LYS 17 -3.894 -2.890 -10.689 127 HE2 LYS 17 2HE LYS 17 -5.249 -2.272 -12.407 128 HE3 LYS 17 3HE LYS 17 -5.672 -3.936 -12.208 129 HZ1 LYS 17 3HZ LYS 17 -7.215 -1.808 -10.922 130 HZ2 LYS 17 1HZ LYS 17 -7.451 -2.141 -12.450 131 HZ3 LYS 17 2HZ LYS 17 -7.675 -3.378 -11.318 132 H ALA 18 H ALA 18 -2.021 -6.725 -7.236 133 HA ALA 18 HA ALA 18 -2.043 -8.351 -9.572 134 HB1 ALA 18 1HB ALA 18 0.080 -7.815 -8.474 135 HB2 ALA 18 2HB ALA 18 -0.486 -8.740 -6.993 136 HB3 ALA 18 3HB ALA 18 -0.245 -9.477 -8.539 137 H GLY 19 H GLY 19 -3.776 -8.931 -6.566 138 HA2 GLY 19 2HA GLY 19 -5.273 -11.128 -7.681 139 HA3 GLY 19 3HA GLY 19 -3.959 -11.748 -6.698 140 H GLY 20 H GLY 20 -5.462 -12.571 -4.971 141 HA2 GLY 20 2HA GLY 20 -7.692 -10.900 -4.137 142 HA3 GLY 20 3HA GLY 20 -7.269 -12.528 -3.631 143 H HIS 21 H HIS 21 -4.787 -9.992 -3.515 144 HA HIS 21 HA HIS 21 -4.241 -10.452 -0.795 145 HB2 HIS 21 2HB HIS 21 -3.521 -8.112 -2.612 146 HB3 HIS 21 3HB HIS 21 -2.631 -8.733 -1.178 147 HD1 HIS 21 1HD HIS 21 -2.584 -11.810 -2.114 148 HD2 HIS 21 2HD HIS 21 -1.356 -8.216 -4.077 149 HE1 HIS 21 1HE HIS 21 -0.636 -12.360 -3.731 150 HE2 HIS 21 2HE HIS 21 0.106 -10.254 -4.895 151 HN1 NH2 22 HN1 NH2 22 -3.856 -8.482 0.807 152 H1 ACE 23 H1 ACE 23 -0.403 -16.182 -6.376 153 H2 ACE 23 H2 ACE 23 -1.332 -16.559 -4.929 154 H3 ACE 23 H3 ACE 23 -1.131 -14.896 -5.329 155 H ALA 24 H ALA 24 1.102 -17.657 -4.819 156 HA ALA 24 HA ALA 24 2.260 -16.812 -2.488 157 HB1 ALA 24 1HB ALA 24 4.199 -18.467 -3.282 158 HB2 ALA 24 2HB ALA 24 2.665 -19.127 -3.123 159 HB3 ALA 24 3HB ALA 24 3.243 -18.778 -4.692 160 H LYS 25 H LYS 25 3.144 -16.011 -5.830 161 HA LYS 25 HA LYS 25 5.702 -14.718 -5.074 162 HB2 LYS 25 2HB LYS 25 4.579 -15.317 -7.804 163 HB3 LYS 25 3HB LYS 25 6.150 -14.624 -7.491 164 HG2 LYS 25 2HG LYS 25 6.845 -16.615 -6.211 165 HG3 LYS 25 3HG LYS 25 5.246 -17.345 -6.497 166 HD2 LYS 25 2HD LYS 25 5.625 -17.170 -8.958 167 HD3 LYS 25 3HD LYS 25 7.325 -16.766 -8.524 168 HE2 LYS 25 2HE LYS 25 7.715 -18.825 -7.494 169 HE3 LYS 25 3HE LYS 25 6.087 -19.308 -7.635 170 HZ1 LYS 25 3HZ LYS 25 8.177 -18.847 -9.738 171 HZ2 LYS 25 1HZ LYS 25 7.363 -20.282 -9.463 172 HZ3 LYS 25 2HZ LYS 25 6.695 -19.076 -10.253 173 H ALA 26 H ALA 26 2.600 -13.816 -6.446 174 HA ALA 26 HA ALA 26 3.009 -11.027 -6.518 175 HB1 ALA 26 1HB ALA 26 0.587 -12.649 -5.651 176 HB2 ALA 26 2HB ALA 26 0.479 -11.021 -6.442 177 HB3 ALA 26 3HB ALA 26 1.047 -12.447 -7.326 178 H ALA 27 H ALA 27 2.135 -13.219 -3.684 179 HA ALA 27 HA ALA 27 1.755 -11.170 -1.944 180 HB1 ALA 27 1HB ALA 27 2.274 -14.158 -1.776 181 HB2 ALA 27 2HB ALA 27 2.320 -13.188 -0.321 182 HB3 ALA 27 3HB ALA 27 0.839 -13.169 -1.354 183 H ALA 28 H ALA 28 4.753 -13.422 -2.306 184 HA ALA 28 HA ALA 28 6.077 -12.384 -0.121 185 HB1 ALA 28 1HB ALA 28 7.428 -13.510 -2.598 186 HB2 ALA 28 2HB ALA 28 8.040 -13.495 -0.965 187 HB3 ALA 28 3HB ALA 28 6.653 -14.452 -1.278 188 H ALA 29 H ALA 29 6.232 -11.150 -3.578 189 HA ALA 29 HA ALA 29 8.217 -9.280 -3.098 190 HB1 ALA 29 1HB ALA 29 7.212 -10.009 -5.338 191 HB2 ALA 29 2HB ALA 29 5.934 -8.832 -4.807 192 HB3 ALA 29 3HB ALA 29 7.599 -8.316 -5.118 193 H ALA 30 H ALA 30 4.783 -8.863 -2.780 194 HA ALA 30 HA ALA 30 4.817 -6.224 -1.654 195 HB1 ALA 30 1HB ALA 30 2.333 -6.630 -1.308 196 HB2 ALA 30 2HB ALA 30 2.754 -7.758 -2.499 197 HB3 ALA 30 3HB ALA 30 2.814 -8.287 -0.877 198 H ILE 31 H ILE 31 4.826 -9.291 0.141 199 HA ILE 31 HA ILE 31 5.005 -8.327 2.810 200 HB ILE 31 HB ILE 31 5.966 -10.829 1.340 201 HG12 ILE 31 2HG1 ILE 31 3.562 -10.649 1.515 202 HG13 ILE 31 3HG1 ILE 31 4.185 -11.851 2.666 203 HG21 ILE 31 1HG2 ILE 31 7.426 -10.295 3.340 204 HG22 ILE 31 2HG2 ILE 31 5.982 -10.374 4.352 205 HG23 ILE 31 3HG2 ILE 31 6.460 -11.780 3.387 206 HD11 ILE 31 3HD1 ILE 31 3.962 -10.252 4.467 207 HD12 ILE 31 1HD1 ILE 31 3.093 -9.152 3.338 208 HD13 ILE 31 2HD1 ILE 31 2.385 -10.745 3.640 209 H LYS 32 H LYS 32 7.668 -9.132 0.543 210 HA LYS 32 HA LYS 32 9.811 -8.081 2.132 211 HB2 LYS 32 2HB LYS 32 9.581 -8.512 -0.848 212 HB3 LYS 32 3HB LYS 32 11.081 -8.190 -0.028 213 HG2 LYS 32 2HG LYS 32 11.021 -10.279 1.150 214 HG3 LYS 32 3HG LYS 32 9.426 -10.611 0.585 215 HD2 LYS 32 2HD LYS 32 10.376 -10.740 -1.784 216 HD3 LYS 32 3HD LYS 32 11.941 -10.221 -1.222 217 HE2 LYS 32 2HE LYS 32 11.928 -12.217 0.379 218 HE3 LYS 32 3HE LYS 32 10.496 -12.816 -0.402 219 HZ1 LYS 32 3HZ LYS 32 12.907 -12.299 -2.052 220 HZ2 LYS 32 1HZ LYS 32 12.618 -13.737 -1.255 221 HZ3 LYS 32 2HZ LYS 32 11.488 -13.129 -2.241 222 H ALA 33 H ALA 33 7.525 -6.649 -0.051 223 HA ALA 33 HA ALA 33 9.220 -4.362 -0.530 224 HB1 ALA 33 1HB ALA 33 6.182 -4.221 -0.734 225 HB2 ALA 33 2HB ALA 33 7.319 -3.112 -1.284 226 HB3 ALA 33 3HB ALA 33 7.316 -4.734 -2.092 227 H ILE 34 H ILE 34 6.639 -5.026 1.835 228 HA ILE 34 HA ILE 34 6.849 -2.435 3.094 229 HB ILE 34 HB ILE 34 5.342 -3.168 4.710 230 HG12 ILE 34 2HG1 ILE 34 4.715 -5.687 3.037 231 HG13 ILE 34 3HG1 ILE 34 5.646 -5.701 4.597 232 HG21 ILE 34 1HG2 ILE 34 3.437 -3.112 3.211 233 HG22 ILE 34 2HG2 ILE 34 4.805 -1.999 2.698 234 HG23 ILE 34 3HG2 ILE 34 4.527 -3.516 1.894 235 HD11 ILE 34 3HD1 ILE 34 3.552 -6.472 5.043 236 HD12 ILE 34 1HD1 ILE 34 3.743 -4.899 5.856 237 HD13 ILE 34 2HD1 ILE 34 2.696 -5.178 4.396 238 H ALA 35 H ALA 35 8.197 -5.774 3.620 239 HA ALA 35 HA ALA 35 9.413 -5.186 6.081 240 HB1 ALA 35 1HB ALA 35 10.967 -6.787 5.680 241 HB2 ALA 35 2HB ALA 35 9.675 -7.416 4.744 242 HB3 ALA 35 3HB ALA 35 10.930 -6.546 3.855 243 H ALA 36 H ALA 36 10.768 -4.360 3.040 244 HA ALA 36 HA ALA 36 12.963 -2.835 4.060 245 HB1 ALA 36 1HB ALA 36 13.175 -2.122 1.681 246 HB2 ALA 36 2HB ALA 36 13.062 -3.758 1.828 247 HB3 ALA 36 3HB ALA 36 11.588 -2.884 1.267 248 H ILE 37 H ILE 37 9.753 -1.977 3.928 249 HA ILE 37 HA ILE 37 10.308 0.906 4.169 250 HB ILE 37 HB ILE 37 8.435 -0.850 2.961 251 HG12 ILE 37 2HG1 ILE 37 8.494 2.147 2.914 252 HG13 ILE 37 3HG1 ILE 37 9.700 1.275 2.102 253 HG21 ILE 37 1HG2 ILE 37 6.291 -0.028 3.568 254 HG22 ILE 37 2HG2 ILE 37 6.994 -0.725 4.972 255 HG23 ILE 37 3HG2 ILE 37 7.000 1.090 4.721 256 HD11 ILE 37 3HD1 ILE 37 7.964 1.534 0.549 257 HD12 ILE 37 1HD1 ILE 37 7.649 -0.097 0.945 258 HD13 ILE 37 2HD1 ILE 37 6.640 1.158 1.716 259 H ILE 38 H ILE 38 9.605 -1.854 6.246 260 HA ILE 38 HA ILE 38 7.837 -0.712 8.012 261 HB ILE 38 HB ILE 38 9.415 -3.066 7.811 262 HG12 ILE 38 2HG1 ILE 38 6.629 -2.597 8.935 263 HG13 ILE 38 3HG1 ILE 38 7.019 -2.648 7.221 264 HG21 ILE 38 1HG2 ILE 38 9.128 -3.957 10.090 265 HG22 ILE 38 2HG2 ILE 38 9.934 -2.455 10.244 266 HG23 ILE 38 3HG2 ILE 38 8.156 -2.529 10.550 267 HD11 ILE 38 3HD1 ILE 38 6.142 -4.797 8.238 268 HD12 ILE 38 1HD1 ILE 38 7.574 -5.125 7.393 269 HD13 ILE 38 2HD1 ILE 38 7.666 -4.938 9.146 270 H LYS 39 H LYS 39 11.210 -0.209 7.763 271 HA LYS 39 HA LYS 39 12.143 0.728 10.212 272 HB2 LYS 39 2HB LYS 39 13.360 0.544 8.073 273 HB3 LYS 39 3HB LYS 39 12.510 1.981 7.496 274 HG2 LYS 39 2HG LYS 39 13.377 3.324 9.267 275 HG3 LYS 39 3HG LYS 39 14.287 2.115 10.020 276 HD2 LYS 39 2HD LYS 39 15.105 1.952 7.387 277 HD3 LYS 39 3HD LYS 39 14.897 3.623 7.512 278 HE2 LYS 39 2HE LYS 39 16.799 1.808 8.977 279 HE3 LYS 39 3HE LYS 39 17.262 3.171 8.010 280 HZ1 LYS 39 3HZ LYS 39 16.210 4.600 9.637 281 HZ2 LYS 39 1HZ LYS 39 16.032 3.246 10.595 282 HZ3 LYS 39 2HZ LYS 39 17.538 3.805 10.184 283 H ALA 40 H ALA 40 9.834 2.372 8.075 284 HA ALA 40 HA ALA 40 10.128 4.979 9.098 285 HB1 ALA 40 1HB ALA 40 9.072 3.961 6.924 286 HB2 ALA 40 2HB ALA 40 7.572 3.876 7.948 287 HB3 ALA 40 3HB ALA 40 8.355 5.418 7.511 288 H GLY 41 H GLY 41 8.266 2.335 10.354 289 HA2 GLY 41 2HA GLY 41 8.414 3.735 12.793 290 HA3 GLY 41 3HA GLY 41 6.668 3.770 12.282 291 H GLY 42 H GLY 42 8.615 0.850 11.768 292 HA2 GLY 42 2HA GLY 42 8.859 -1.155 13.123 293 HA3 GLY 42 3HA GLY 42 8.045 -0.282 14.347 294 H HIS 43 H HIS 43 6.705 -0.388 11.216 295 HA HIS 43 HA HIS 43 4.265 -1.193 12.067 296 HB2 HIS 43 2HB HIS 43 5.069 -1.306 9.218 297 HB3 HIS 43 3HB HIS 43 3.533 -0.881 10.047 298 HD1 HIS 43 1HD HIS 43 3.752 1.646 11.537 299 HD2 HIS 43 2HD HIS 43 6.288 0.710 8.335 300 HE1 HIS 43 1HE HIS 43 4.317 3.797 10.414 301 HE2 HIS 43 2HE HIS 43 6.178 3.357 8.750 302 HN1 NH2 44 HN1 NH2 44 6.319 -3.915 12.418 303 H1 ACE 45 H1 ACE 45 -6.734 7.418 4.273 304 H2 ACE 45 H2 ACE 45 -7.702 6.007 4.892 305 H3 ACE 45 H3 ACE 45 -7.884 7.639 5.628 306 H ALA 46 H ALA 46 -6.231 8.552 6.646 307 HA ALA 46 HA ALA 46 -3.926 7.350 7.486 308 HB1 ALA 46 1HB ALA 46 -4.070 9.608 7.608 309 HB2 ALA 46 2HB ALA 46 -5.421 9.576 8.858 310 HB3 ALA 46 3HB ALA 46 -3.739 9.085 9.282 311 H LYS 47 H LYS 47 -6.606 8.034 9.585 312 HA LYS 47 HA LYS 47 -6.278 6.015 11.663 313 HB2 LYS 47 2HB LYS 47 -8.906 7.198 10.695 314 HB3 LYS 47 3HB LYS 47 -8.618 6.338 12.191 315 HG2 LYS 47 2HG LYS 47 -6.912 8.091 12.840 316 HG3 LYS 47 3HG LYS 47 -7.210 8.970 11.354 317 HD2 LYS 47 2HD LYS 47 -9.183 8.474 13.578 318 HD3 LYS 47 3HD LYS 47 -8.537 10.006 13.073 319 HE2 LYS 47 2HE LYS 47 -9.693 9.529 10.788 320 HE3 LYS 47 3HE LYS 47 -10.509 8.219 11.628 321 HZ1 LYS 47 3HZ LYS 47 -10.735 10.901 12.830 322 HZ2 LYS 47 1HZ LYS 47 -11.602 10.460 11.458 323 HZ3 LYS 47 2HZ LYS 47 -11.686 9.574 12.808 324 H ALA 48 H ALA 48 -7.950 5.418 8.469 325 HA ALA 48 HA ALA 48 -8.349 2.758 9.273 326 HB1 ALA 48 1HB ALA 48 -9.200 2.624 7.017 327 HB2 ALA 48 2HB ALA 48 -9.598 4.258 7.549 328 HB3 ALA 48 3HB ALA 48 -8.247 4.069 6.542 329 H ALA 49 H ALA 49 -5.594 4.252 7.430 330 HA ALA 49 HA ALA 49 -4.228 1.926 7.078 331 HB1 ALA 49 1HB ALA 49 -2.933 4.688 7.735 332 HB2 ALA 49 2HB ALA 49 -2.230 3.440 6.831 333 HB3 ALA 49 3HB ALA 49 -3.688 4.207 6.127 334 H ALA 50 H ALA 50 -4.309 4.028 10.139 335 HA ALA 50 HA ALA 50 -2.406 2.405 11.550 336 HB1 ALA 50 1HB ALA 50 -3.079 4.883 11.548 337 HB2 ALA 50 2HB ALA 50 -4.602 4.368 12.233 338 HB3 ALA 50 3HB ALA 50 -3.111 4.155 13.142 339 H ALA 51 H ALA 51 -5.784 2.209 11.110 340 HA ALA 51 HA ALA 51 -6.327 -0.031 12.847 341 HB1 ALA 51 1HB ALA 51 -7.943 1.474 11.815 342 HB2 ALA 51 2HB ALA 51 -7.537 0.786 10.234 343 HB3 ALA 51 3HB ALA 51 -8.323 -0.271 11.378 344 H ALA 52 H ALA 52 -5.528 -0.224 9.220 345 HA ALA 52 HA ALA 52 -5.445 -3.080 9.339 346 HB1 ALA 52 1HB ALA 52 -5.819 -1.707 7.159 347 HB2 ALA 52 2HB ALA 52 -4.046 -1.327 7.294 348 HB3 ALA 52 3HB ALA 52 -4.677 -2.922 7.080 349 H ILE 53 H ILE 53 -3.065 -0.725 9.540 350 HA ILE 53 HA ILE 53 -0.593 -2.269 9.638 351 HB ILE 53 HB ILE 53 -1.274 0.316 10.926 352 HG12 ILE 53 2HG1 ILE 53 -1.211 0.603 8.626 353 HG13 ILE 53 3HG1 ILE 53 0.323 1.214 9.253 354 HG21 ILE 53 1HG2 ILE 53 1.199 -1.326 11.137 355 HG22 ILE 53 2HG2 ILE 53 1.293 0.480 11.157 356 HG23 ILE 53 3HG2 ILE 53 0.406 -0.329 12.388 357 HD11 ILE 53 3HD1 ILE 53 -0.117 -1.270 7.653 358 HD12 ILE 53 1HD1 ILE 53 0.737 0.173 7.200 359 HD13 ILE 53 2HD1 ILE 53 1.498 -0.803 8.435 360 H LYS 54 H LYS 54 -2.475 -1.052 12.472 361 HA LYS 54 HA LYS 54 -1.106 -2.502 14.345 362 HB2 LYS 54 2HB LYS 54 -3.089 -0.789 14.566 363 HB3 LYS 54 3HB LYS 54 -4.180 -2.164 14.325 364 HG2 LYS 54 2HG LYS 54 -4.162 -1.710 16.602 365 HG3 LYS 54 3HG LYS 54 -3.402 -3.268 16.219 366 HD2 LYS 54 2HD LYS 54 -1.216 -2.369 16.666 367 HD3 LYS 54 3HD LYS 54 -1.878 -0.759 16.924 368 HE2 LYS 54 2HE LYS 54 -1.160 -1.810 19.012 369 HE3 LYS 54 3HE LYS 54 -2.915 -1.440 18.993 370 HZ1 LYS 54 3HZ LYS 54 -3.539 -3.596 18.889 371 HZ2 LYS 54 1HZ LYS 54 -2.279 -4.156 18.287 372 HZ3 LYS 54 2HZ LYS 54 -2.462 -3.588 19.911 373 H ALA 55 H ALA 55 -3.448 -3.630 12.218 374 HA ALA 55 HA ALA 55 -3.979 -6.252 13.512 375 HB1 ALA 55 1HB ALA 55 -5.356 -6.748 11.795 376 HB2 ALA 55 2HB ALA 55 -5.525 -5.021 11.813 377 HB3 ALA 55 3HB ALA 55 -4.363 -5.834 10.596 378 H ILE 56 H ILE 56 -1.546 -5.239 11.274 379 HA ILE 56 HA ILE 56 -0.622 -8.020 11.040 380 HB ILE 56 HB ILE 56 0.653 -7.161 9.088 381 HG12 ILE 56 2HG1 ILE 56 -0.981 -4.721 9.418 382 HG13 ILE 56 3HG1 ILE 56 0.634 -4.727 9.857 383 HG21 ILE 56 1HG2 ILE 56 -1.372 -7.357 7.736 384 HG22 ILE 56 2HG2 ILE 56 -1.527 -8.438 9.122 385 HG23 ILE 56 3HG2 ILE 56 -2.322 -6.779 9.034 386 HD11 ILE 56 3HD1 ILE 56 -0.431 -5.365 6.931 387 HD12 ILE 56 1HD1 ILE 56 -0.015 -3.864 7.531 388 HD13 ILE 56 2HD1 ILE 56 1.222 -5.139 7.349 389 H ALA 57 H ALA 57 0.579 -4.828 12.367 390 HA ALA 57 HA ALA 57 3.233 -5.405 12.158 391 HB1 ALA 57 1HB ALA 57 1.730 -3.736 14.184 392 HB2 ALA 57 2HB ALA 57 3.546 -3.793 13.956 393 HB3 ALA 57 3HB ALA 57 2.599 -3.259 12.654 394 H ALA 58 H ALA 58 1.189 -7.186 14.522 395 HA ALA 58 HA ALA 58 3.663 -8.077 15.984 396 HB1 ALA 58 1HB ALA 58 2.042 -9.172 17.334 397 HB2 ALA 58 2HB ALA 58 2.170 -7.377 17.423 398 HB3 ALA 58 3HB ALA 58 0.769 -8.219 16.624 399 H ILE 59 H ILE 59 1.005 -8.891 13.831 400 HA ILE 59 HA ILE 59 1.565 -11.705 13.566 401 HB ILE 59 HB ILE 59 -0.224 -9.630 12.476 402 HG12 ILE 59 2HG1 ILE 59 -0.675 -12.615 12.461 403 HG13 ILE 59 3HG1 ILE 59 -0.627 -11.800 14.036 404 HG21 ILE 59 1HG2 ILE 59 -1.044 -10.300 10.510 405 HG22 ILE 59 2HG2 ILE 59 0.618 -9.943 10.254 406 HG23 ILE 59 3HG2 ILE 59 0.165 -11.583 10.344 407 HD11 ILE 59 3HD1 ILE 59 -2.914 -12.005 13.569 408 HD12 ILE 59 1HD1 ILE 59 -2.397 -10.256 13.311 409 HD13 ILE 59 2HD1 ILE 59 -2.642 -11.466 12.002 410 H ILE 60 H ILE 60 2.878 -9.022 12.268 411 HA ILE 60 HA ILE 60 4.695 -10.062 10.287 412 HB ILE 60 HB ILE 60 4.050 -7.543 11.603 413 HG12 ILE 60 2HG1 ILE 60 4.500 -8.304 8.722 414 HG13 ILE 60 3HG1 ILE 60 3.001 -8.509 9.599 415 HG21 ILE 60 1HG2 ILE 60 5.977 -6.303 10.417 416 HG22 ILE 60 2HG2 ILE 60 6.438 -7.405 11.700 417 HG23 ILE 60 3HG2 ILE 60 6.572 -7.993 10.014 418 HD11 ILE 60 3HD1 ILE 60 3.149 -5.848 10.002 419 HD12 ILE 60 1HD1 ILE 60 4.371 -5.870 8.794 420 HD13 ILE 60 2HD1 ILE 60 2.772 -6.557 8.407 421 H LYS 61 H LYS 61 4.731 -10.457 13.622 422 HA LYS 61 HA LYS 61 7.667 -11.118 13.754 423 HB2 LYS 61 2HB LYS 61 5.650 -11.780 15.849 424 HB3 LYS 61 3HB LYS 61 7.403 -11.999 15.805 425 HG2 LYS 61 2HG LYS 61 5.801 -9.420 16.026 426 HG3 LYS 61 3HG LYS 61 6.746 -10.153 17.258 427 HD2 LYS 61 2HD LYS 61 8.758 -9.741 15.550 428 HD3 LYS 61 3HD LYS 61 7.634 -8.735 14.634 429 HE2 LYS 61 2HE LYS 61 7.278 -7.258 16.519 430 HE3 LYS 61 3HE LYS 61 8.429 -8.164 17.462 431 HZ1 LYS 61 3HZ LYS 61 9.691 -6.347 16.365 432 HZ2 LYS 61 1HZ LYS 61 10.057 -7.647 15.625 433 HZ3 LYS 61 2HZ LYS 61 8.983 -6.700 14.927 434 H ALA 62 H ALA 62 4.748 -12.767 12.697 435 HA ALA 62 HA ALA 62 5.476 -15.233 13.116 436 HB1 ALA 62 1HB ALA 62 3.255 -14.477 12.295 437 HB2 ALA 62 2HB ALA 62 3.881 -14.166 10.768 438 HB3 ALA 62 3HB ALA 62 3.824 -15.841 11.366 439 H GLY 63 H GLY 63 6.905 -13.234 10.803 440 HA2 GLY 63 2HA GLY 63 9.067 -14.976 10.277 441 HA3 GLY 63 3HA GLY 63 8.019 -14.927 8.828 442 H GLY 64 H GLY 64 9.440 -13.781 7.551 443 HA2 GLY 64 2HA GLY 64 10.908 -11.493 8.524 444 HA3 GLY 64 3HA GLY 64 11.058 -12.262 6.943 445 H HIS 65 H HIS 65 8.235 -10.616 8.565 446 HA HIS 65 HA HIS 65 7.421 -10.056 5.878 447 HB2 HIS 65 2HB HIS 65 6.011 -9.701 8.550 448 HB3 HIS 65 3HB HIS 65 5.261 -9.565 6.951 449 HD1 HIS 65 1HD HIS 65 6.831 -12.309 5.984 450 HD2 HIS 65 2HD HIS 65 4.142 -11.624 9.161 451 HE1 HIS 65 1HE HIS 65 5.902 -14.620 6.674 452 HE2 HIS 65 2HE HIS 65 4.460 -14.232 8.675 453 HN1 NH2 66 HN1 NH2 66 6.507 -7.742 5.316 454 H1 ACE 67 H1 ACE 67 7.712 -17.321 5.734 455 H2 ACE 67 H2 ACE 67 7.735 -19.039 4.969 456 H3 ACE 67 H3 ACE 67 8.123 -17.574 4.136 457 H ALA 68 H ALA 68 6.347 -19.395 3.350 458 HA ALA 68 HA ALA 68 4.393 -17.914 2.048 459 HB1 ALA 68 1HB ALA 68 3.853 -20.018 1.056 460 HB2 ALA 68 2HB ALA 68 5.589 -20.096 1.317 461 HB3 ALA 68 3HB ALA 68 4.474 -21.019 2.317 462 H LYS 69 H LYS 69 3.913 -20.474 4.433 463 HA LYS 69 HA LYS 69 1.187 -19.953 4.727 464 HB2 LYS 69 2HB LYS 69 2.387 -21.949 5.775 465 HB3 LYS 69 3HB LYS 69 2.926 -20.813 7.051 466 HG2 LYS 69 2HG LYS 69 1.208 -22.103 7.986 467 HG3 LYS 69 3HG LYS 69 0.555 -20.504 7.802 468 HD2 LYS 69 2HD LYS 69 -0.426 -21.127 5.591 469 HD3 LYS 69 3HD LYS 69 0.165 -22.782 5.799 470 HE2 LYS 69 2HE LYS 69 -1.532 -21.691 7.973 471 HE3 LYS 69 3HE LYS 69 -2.321 -22.242 6.486 472 HZ1 LYS 69 3HZ LYS 69 -1.681 -24.302 6.679 473 HZ2 LYS 69 1HZ LYS 69 -0.569 -24.052 7.921 474 HZ3 LYS 69 2HZ LYS 69 -2.145 -23.969 8.140 475 H ALA 70 H ALA 70 3.675 -18.432 6.856 476 HA ALA 70 HA ALA 70 1.849 -16.881 8.285 477 HB1 ALA 70 1HB ALA 70 3.798 -15.569 8.927 478 HB2 ALA 70 2HB ALA 70 4.092 -17.234 9.128 479 HB3 ALA 70 3HB ALA 70 4.779 -16.423 7.653 480 H ALA 71 H ALA 71 3.831 -15.928 5.420 481 HA ALA 71 HA ALA 71 2.802 -13.328 4.919 482 HB1 ALA 71 1HB ALA 71 3.226 -13.966 2.525 483 HB2 ALA 71 2HB ALA 71 4.625 -14.374 3.558 484 HB3 ALA 71 3HB ALA 71 3.467 -15.597 2.909 485 H ALA 72 H ALA 72 1.281 -16.403 4.060 486 HA ALA 72 HA ALA 72 -0.965 -15.243 2.698 487 HB1 ALA 72 1HB ALA 72 -0.570 -17.947 3.936 488 HB2 ALA 72 2HB ALA 72 -1.986 -17.394 2.996 489 HB3 ALA 72 3HB ALA 72 -0.436 -17.477 2.196 490 H ALA 73 H ALA 73 -0.520 -16.254 5.996 491 HA ALA 73 HA ALA 73 -3.075 -15.603 7.026 492 HB1 ALA 73 1HB ALA 73 -1.644 -17.146 8.121 493 HB2 ALA 73 2HB ALA 73 -0.453 -15.880 8.404 494 HB3 ALA 73 3HB ALA 73 -1.998 -15.780 9.252 495 H ALA 74 H ALA 74 -0.124 -13.527 7.089 496 HA ALA 74 HA ALA 74 -1.166 -11.221 8.033 497 HB1 ALA 74 1HB ALA 74 1.241 -11.598 7.671 498 HB2 ALA 74 2HB ALA 74 0.902 -11.522 5.943 499 HB3 ALA 74 3HB ALA 74 0.561 -10.067 6.951 500 H ILE 75 H ILE 75 -0.831 -12.169 4.661 501 HA ILE 75 HA ILE 75 -2.103 -10.085 3.360 502 HB ILE 75 HB ILE 75 -1.802 -12.944 2.579 503 HG12 ILE 75 2HG1 ILE 75 0.298 -11.837 3.001 504 HG13 ILE 75 3HG1 ILE 75 0.157 -12.191 1.348 505 HG21 ILE 75 1HG2 ILE 75 -1.901 -12.197 0.235 506 HG22 ILE 75 2HG2 ILE 75 -3.388 -12.287 1.118 507 HG23 ILE 75 3HG2 ILE 75 -2.590 -10.676 0.865 508 HD11 ILE 75 3HD1 ILE 75 0.025 -9.458 2.765 509 HD12 ILE 75 1HD1 ILE 75 1.189 -10.105 1.500 510 HD13 ILE 75 2HD1 ILE 75 -0.333 -9.799 0.947 511 H LYS 76 H LYS 76 -3.509 -13.140 4.453 512 HA LYS 76 HA LYS 76 -6.280 -12.500 3.572 513 HB2 LYS 76 2HB LYS 76 -5.316 -14.655 5.357 514 HB3 LYS 76 3HB LYS 76 -6.990 -14.315 4.968 515 HG2 LYS 76 2HG LYS 76 -6.592 -14.735 2.606 516 HG3 LYS 76 3HG LYS 76 -4.833 -14.698 2.882 517 HD2 LYS 76 2HD LYS 76 -5.255 -16.951 2.526 518 HD3 LYS 76 3HD LYS 76 -5.035 -16.719 4.233 519 HE2 LYS 76 2HE LYS 76 -7.693 -16.595 4.330 520 HE3 LYS 76 3HE LYS 76 -7.621 -16.866 2.596 521 HZ1 LYS 76 3HZ LYS 76 -6.513 -18.865 3.040 522 HZ2 LYS 76 1HZ LYS 76 -6.445 -18.556 4.677 523 HZ3 LYS 76 2HZ LYS 76 -7.914 -18.959 4.057 524 H ALA 77 H ALA 77 -4.439 -11.675 6.252 525 HA ALA 77 HA ALA 77 -6.525 -11.041 8.146 526 HB1 ALA 77 1HB ALA 77 -3.802 -9.667 8.187 527 HB2 ALA 77 2HB ALA 77 -4.880 -10.002 9.512 528 HB3 ALA 77 3HB ALA 77 -3.932 -11.266 8.770 529 H ILE 78 H ILE 78 -4.319 -9.106 6.006 530 HA ILE 78 HA ILE 78 -5.910 -6.950 6.454 531 HB ILE 78 HB ILE 78 -4.567 -5.769 4.521 532 HG12 ILE 78 2HG1 ILE 78 -2.869 -8.149 5.111 533 HG13 ILE 78 3HG1 ILE 78 -3.739 -7.898 3.607 534 HG21 ILE 78 1HG2 ILE 78 -4.472 -5.298 6.852 535 HG22 ILE 78 2HG2 ILE 78 -3.626 -6.757 7.231 536 HG23 ILE 78 3HG2 ILE 78 -2.833 -5.347 6.309 537 HD11 ILE 78 3HD1 ILE 78 -1.608 -7.236 3.158 538 HD12 ILE 78 1HD1 ILE 78 -2.435 -5.677 3.354 539 HD13 ILE 78 2HD1 ILE 78 -1.415 -6.457 4.703 540 H ALA 79 H ALA 79 -6.040 -9.011 3.605 541 HA ALA 79 HA ALA 79 -7.423 -7.721 1.726 542 HB1 ALA 79 1HB ALA 79 -8.140 -10.517 2.491 543 HB2 ALA 79 2HB ALA 79 -8.213 -9.676 0.891 544 HB3 ALA 79 3HB ALA 79 -6.653 -9.988 1.668 545 H ALA 80 H ALA 80 -9.103 -8.872 4.672 546 HA ALA 80 HA ALA 80 -11.773 -8.106 3.742 547 HB1 ALA 80 1HB ALA 80 -11.500 -9.919 5.248 548 HB2 ALA 80 2HB ALA 80 -10.696 -8.908 6.364 549 HB3 ALA 80 3HB ALA 80 -12.472 -8.566 6.034 550 H ILE 81 H ILE 81 -9.150 -6.453 5.010 551 HA ILE 81 HA ILE 81 -10.541 -4.269 6.397 552 HB ILE 81 HB ILE 81 -8.134 -5.941 6.678 553 HG12 ILE 81 2HG1 ILE 81 -9.159 -3.678 8.494 554 HG13 ILE 81 3HG1 ILE 81 -10.051 -5.196 8.450 555 HG21 ILE 81 1HG2 ILE 81 -6.884 -4.251 5.716 556 HG22 ILE 81 2HG2 ILE 81 -7.377 -3.065 7.004 557 HG23 ILE 81 3HG2 ILE 81 -6.502 -4.567 7.339 558 HD11 ILE 81 3HD1 ILE 81 -8.589 -5.344 10.242 559 HD12 ILE 81 1HD1 ILE 81 -7.993 -6.497 9.077 560 HD13 ILE 81 2HD1 ILE 81 -7.179 -4.914 9.390 561 H ILE 82 H ILE 82 -8.758 -5.064 3.560 562 HA ILE 82 HA ILE 82 -7.793 -2.505 2.922 563 HB ILE 82 HB ILE 82 -8.617 -4.873 0.998 564 HG12 ILE 82 2HG1 ILE 82 -6.949 -5.680 2.301 565 HG13 ILE 82 3HG1 ILE 82 -6.124 -4.988 0.919 566 HG21 ILE 82 1HG2 ILE 82 -8.490 -2.692 -0.244 567 HG22 ILE 82 2HG2 ILE 82 -6.778 -2.623 0.330 568 HG23 ILE 82 3HG2 ILE 82 -7.490 -3.915 -0.685 569 HD11 ILE 82 3HD1 ILE 82 -4.752 -4.383 2.451 570 HD12 ILE 82 1HD1 ILE 82 -5.789 -2.919 2.523 571 HD13 ILE 82 2HD1 ILE 82 -5.861 -4.068 3.806 572 H LYS 83 H LYS 83 -11.110 -3.404 2.760 573 HA LYS 83 HA LYS 83 -11.935 -1.519 0.865 574 HB2 LYS 83 2HB LYS 83 -14.130 -2.330 1.588 575 HB3 LYS 83 3HB LYS 83 -12.887 -3.522 1.229 576 HG2 LYS 83 2HG LYS 83 -12.529 -3.722 3.777 577 HG3 LYS 83 3HG LYS 83 -13.821 -2.574 4.054 578 HD2 LYS 83 2HD LYS 83 -14.277 -5.090 2.423 579 HD3 LYS 83 3HD LYS 83 -14.360 -4.969 4.197 580 HE2 LYS 83 2HE LYS 83 -16.115 -3.159 3.857 581 HE3 LYS 83 3HE LYS 83 -16.083 -3.479 2.164 582 HZ1 LYS 83 3HZ LYS 83 -17.039 -5.185 4.396 583 HZ2 LYS 83 1HZ LYS 83 -17.826 -4.556 3.167 584 HZ3 LYS 83 2HZ LYS 83 -16.941 -5.836 2.834 585 H ALA 84 H ALA 84 -11.000 -1.090 4.264 586 HA ALA 84 HA ALA 84 -12.854 0.857 5.020 587 HB1 ALA 84 1HB ALA 84 -11.689 0.670 7.055 588 HB2 ALA 84 2HB ALA 84 -11.253 -0.866 6.294 589 HB3 ALA 84 3HB ALA 84 -10.213 0.535 6.205 590 H GLY 85 H GLY 85 -9.968 1.350 2.740 591 HA2 GLY 85 2HA GLY 85 -10.523 4.033 2.622 592 HA3 GLY 85 3HA GLY 85 -9.060 3.744 3.626 593 H GLY 86 H GLY 86 -7.925 4.727 1.801 594 HA2 GLY 86 2HA GLY 86 -7.715 3.511 -0.890 595 HA3 GLY 86 3HA GLY 86 -6.772 4.758 -0.177 596 H HIS 87 H HIS 87 -7.397 1.483 1.025 597 HA HIS 87 HA HIS 87 -4.585 1.130 1.465 598 HB2 HIS 87 2HB HIS 87 -6.805 -0.823 1.974 599 HB3 HIS 87 3HB HIS 87 -5.185 -0.725 2.700 600 HD1 HIS 87 1HD HIS 87 -5.456 2.580 3.197 601 HD2 HIS 87 2HD HIS 87 -7.699 -0.713 4.529 602 HE1 HIS 87 1HE HIS 87 -6.557 3.253 5.379 603 HE2 HIS 87 2HE HIS 87 -8.309 1.500 5.914 604 HN1 NH2 88 HN1 NH2 88 -6.262 0.296 -1.430 605 HN2 NH2 88 HN2 NH2 88 -5.418 -1.133 -1.880 Start of MODEL 10 1 H1 ACE 1 H1 ACE 1 1.786 10.657 12.911 2 H2 ACE 1 H2 ACE 1 2.780 9.260 13.319 3 H3 ACE 1 H3 ACE 1 3.541 10.704 12.492 4 H ALA 2 H ALA 2 1.058 10.844 10.926 5 HA ALA 2 HA ALA 2 0.141 8.517 9.567 6 HB1 ALA 2 1HB ALA 2 -0.788 10.251 8.061 7 HB2 ALA 2 2HB ALA 2 -1.198 10.506 9.744 8 HB3 ALA 2 3HB ALA 2 0.050 11.550 9.017 9 H LYS 3 H LYS 3 2.644 10.762 8.675 10 HA LYS 3 HA LYS 3 3.389 10.245 6.138 11 HB2 LYS 3 2HB LYS 3 4.686 11.645 7.441 12 HB3 LYS 3 3HB LYS 3 4.776 10.468 8.734 13 HG2 LYS 3 2HG LYS 3 6.534 9.259 7.539 14 HG3 LYS 3 3HG LYS 3 6.165 10.126 6.075 15 HD2 LYS 3 2HD LYS 3 7.116 12.202 7.090 16 HD3 LYS 3 3HD LYS 3 7.066 11.397 8.664 17 HE2 LYS 3 2HE LYS 3 9.419 11.657 7.777 18 HE3 LYS 3 3HE LYS 3 8.949 9.950 7.969 19 HZ1 LYS 3 3HZ LYS 3 8.616 11.332 5.432 20 HZ2 LYS 3 1HZ LYS 3 9.963 10.439 5.797 21 HZ3 LYS 3 2HZ LYS 3 8.582 9.679 5.772 22 H ALA 4 H ALA 4 4.415 7.956 8.819 23 HA ALA 4 HA ALA 4 5.868 6.410 7.037 24 HB1 ALA 4 1HB ALA 4 6.151 6.649 9.485 25 HB2 ALA 4 2HB ALA 4 4.599 5.758 9.658 26 HB3 ALA 4 3HB ALA 4 5.993 4.925 9.023 27 H ALA 5 H ALA 5 2.845 5.465 8.798 28 HA ALA 5 HA ALA 5 1.621 3.407 7.535 29 HB1 ALA 5 1HB ALA 5 -0.470 5.081 7.730 30 HB2 ALA 5 2HB ALA 5 0.320 4.335 9.111 31 HB3 ALA 5 3HB ALA 5 0.686 6.004 8.652 32 H ALA 6 H ALA 6 1.681 6.858 6.151 33 HA ALA 6 HA ALA 6 -0.061 6.334 4.070 34 HB1 ALA 6 1HB ALA 6 0.240 8.443 4.932 35 HB2 ALA 6 2HB ALA 6 1.995 8.598 4.476 36 HB3 ALA 6 3HB ALA 6 0.738 8.545 3.236 37 H ALA 7 H ALA 7 3.390 6.497 4.431 38 HA ALA 7 HA ALA 7 4.162 5.965 1.711 39 HB1 ALA 7 1HB ALA 7 5.434 6.483 4.130 40 HB2 ALA 7 2HB ALA 7 6.072 4.951 3.440 41 HB3 ALA 7 3HB ALA 7 6.041 6.482 2.451 42 H ALA 8 H ALA 8 3.341 3.706 4.318 43 HA ALA 8 HA ALA 8 4.397 1.629 2.730 44 HB1 ALA 8 1HB ALA 8 4.486 1.220 5.052 45 HB2 ALA 8 2HB ALA 8 2.776 1.400 5.299 46 HB3 ALA 8 3HB ALA 8 3.305 -0.068 4.570 47 H ILE 9 H ILE 9 1.413 3.236 3.016 48 HA ILE 9 HA ILE 9 -0.148 1.052 1.916 49 HB ILE 9 HB ILE 9 -0.941 3.762 2.819 50 HG12 ILE 9 2HG1 ILE 9 -0.285 2.359 4.709 51 HG13 ILE 9 3HG1 ILE 9 -1.979 2.659 4.766 52 HG21 ILE 9 1HG2 ILE 9 -3.209 3.032 2.810 53 HG22 ILE 9 2HG2 ILE 9 -2.621 2.989 1.190 54 HG23 ILE 9 3HG2 ILE 9 -2.713 1.462 1.933 55 HD11 ILE 9 3HD1 ILE 9 -1.450 0.443 5.485 56 HD12 ILE 9 1HD1 ILE 9 -2.393 0.252 4.100 57 HD13 ILE 9 2HD1 ILE 9 -0.591 -0.054 4.106 58 H LYS 10 H LYS 10 1.357 4.054 0.932 59 HA LYS 10 HA LYS 10 0.301 4.460 -1.625 60 HB2 LYS 10 2HB LYS 10 1.792 5.903 -0.436 61 HB3 LYS 10 3HB LYS 10 3.104 4.801 -0.552 62 HG2 LYS 10 2HG LYS 10 3.540 6.551 -2.036 63 HG3 LYS 10 3HG LYS 10 3.070 5.219 -3.078 64 HD2 LYS 10 2HD LYS 10 2.218 7.535 -3.620 65 HD3 LYS 10 3HD LYS 10 1.076 6.178 -3.707 66 HE2 LYS 10 2HE LYS 10 -0.095 8.025 -2.970 67 HE3 LYS 10 3HE LYS 10 -0.015 6.773 -1.745 68 HZ1 LYS 10 3HZ LYS 10 1.145 9.442 -1.741 69 HZ2 LYS 10 1HZ LYS 10 0.382 8.694 -0.613 70 HZ3 LYS 10 2HZ LYS 10 2.000 8.312 -0.936 71 H ALA 11 H ALA 11 2.527 2.039 -0.314 72 HA ALA 11 HA ALA 11 3.706 1.210 -2.828 73 HB1 ALA 11 1HB ALA 11 4.132 -0.149 -0.146 74 HB2 ALA 11 2HB ALA 11 5.063 -0.274 -1.603 75 HB3 ALA 11 3HB ALA 11 4.845 1.302 -0.806 76 H ILE 12 H ILE 12 1.806 -0.533 -0.171 77 HA ILE 12 HA ILE 12 1.182 -2.498 -2.120 78 HB ILE 12 HB ILE 12 0.149 -3.691 -0.131 79 HG12 ILE 12 2HG1 ILE 12 1.213 -1.586 1.644 80 HG13 ILE 12 3HG1 ILE 12 -0.312 -1.210 0.901 81 HG21 ILE 12 1HG2 ILE 12 2.448 -4.003 -0.774 82 HG22 ILE 12 2HG2 ILE 12 2.833 -2.611 0.391 83 HG23 ILE 12 3HG2 ILE 12 2.135 -4.175 0.924 84 HD11 ILE 12 3HD1 ILE 12 -0.471 -2.146 3.189 85 HD12 ILE 12 1HD1 ILE 12 -1.393 -3.044 1.933 86 HD13 ILE 12 2HD1 ILE 12 0.129 -3.657 2.704 87 H ALA 13 H ALA 13 -0.751 0.180 -1.018 88 HA ALA 13 HA ALA 13 -3.216 -1.014 -1.982 89 HB1 ALA 13 1HB ALA 13 -3.994 1.285 -2.205 90 HB2 ALA 13 2HB ALA 13 -3.112 1.101 -0.573 91 HB3 ALA 13 3HB ALA 13 -2.473 1.963 -2.009 92 H ALA 14 H ALA 14 -0.588 0.449 -3.699 93 HA ALA 14 HA ALA 14 -1.825 0.271 -6.361 94 HB1 ALA 14 1HB ALA 14 1.131 0.452 -5.784 95 HB2 ALA 14 2HB ALA 14 0.207 0.850 -7.216 96 HB3 ALA 14 3HB ALA 14 -0.005 1.867 -5.766 97 H ILE 15 H ILE 15 0.769 -1.719 -4.652 98 HA ILE 15 HA ILE 15 0.579 -3.698 -6.508 99 HB ILE 15 HB ILE 15 1.928 -3.036 -4.030 100 HG12 ILE 15 2HG1 ILE 15 3.601 -4.780 -4.957 101 HG13 ILE 15 3HG1 ILE 15 2.393 -4.982 -6.203 102 HG21 ILE 15 1HG2 ILE 15 0.745 -4.624 -2.712 103 HG22 ILE 15 2HG2 ILE 15 0.982 -5.943 -3.966 104 HG23 ILE 15 3HG2 ILE 15 2.295 -5.285 -3.098 105 HD11 ILE 15 3HD1 ILE 15 2.634 -2.389 -6.504 106 HD12 ILE 15 1HD1 ILE 15 4.051 -2.591 -5.357 107 HD13 ILE 15 2HD1 ILE 15 4.114 -3.348 -6.961 108 H ILE 16 H ILE 16 -1.818 -3.402 -3.985 109 HA ILE 16 HA ILE 16 -2.073 -6.067 -3.625 110 HB ILE 16 HB ILE 16 -3.261 -3.589 -2.748 111 HG12 ILE 16 2HG1 ILE 16 -2.910 -6.162 -1.311 112 HG13 ILE 16 3HG1 ILE 16 -1.599 -5.083 -1.769 113 HG21 ILE 16 1HG2 ILE 16 -5.337 -4.423 -1.694 114 HG22 ILE 16 2HG2 ILE 16 -5.438 -4.497 -3.404 115 HG23 ILE 16 3HG2 ILE 16 -5.154 -6.017 -2.490 116 HD11 ILE 16 3HD1 ILE 16 -3.952 -4.092 0.023 117 HD12 ILE 16 1HD1 ILE 16 -2.452 -4.826 0.536 118 HD13 ILE 16 2HD1 ILE 16 -2.506 -3.285 -0.445 119 H LYS 17 H LYS 17 -3.200 -4.435 -6.246 120 HA LYS 17 HA LYS 17 -5.190 -6.186 -7.219 121 HB2 LYS 17 2HB LYS 17 -4.586 -5.326 -9.474 122 HB3 LYS 17 3HB LYS 17 -4.422 -4.023 -8.241 123 HG2 LYS 17 2HG LYS 17 -2.066 -4.123 -8.254 124 HG3 LYS 17 3HG LYS 17 -2.064 -5.454 -9.382 125 HD2 LYS 17 2HD LYS 17 -3.323 -3.963 -11.012 126 HD3 LYS 17 3HD LYS 17 -3.198 -2.670 -9.842 127 HE2 LYS 17 2HE LYS 17 -0.855 -4.051 -11.227 128 HE3 LYS 17 3HE LYS 17 -1.575 -2.580 -11.768 129 HZ1 LYS 17 3HZ LYS 17 -0.996 -1.884 -9.293 130 HZ2 LYS 17 1HZ LYS 17 0.137 -3.055 -9.328 131 HZ3 LYS 17 2HZ LYS 17 0.053 -1.760 -10.383 132 H ALA 18 H ALA 18 -1.712 -6.701 -6.919 133 HA ALA 18 HA ALA 18 -1.232 -8.080 -9.135 134 HB1 ALA 18 1HB ALA 18 0.223 -8.495 -6.523 135 HB2 ALA 18 2HB ALA 18 0.879 -8.721 -8.112 136 HB3 ALA 18 3HB ALA 18 0.468 -7.161 -7.688 137 H GLY 19 H GLY 19 -2.871 -9.507 -6.523 138 HA2 GLY 19 2HA GLY 19 -3.002 -12.115 -7.871 139 HA3 GLY 19 3HA GLY 19 -2.133 -12.126 -6.322 140 H GLY 20 H GLY 20 -4.635 -9.803 -6.386 141 HA2 GLY 20 2HA GLY 20 -6.801 -9.846 -5.269 142 HA3 GLY 20 3HA GLY 20 -6.703 -11.590 -5.292 143 H HIS 21 H HIS 21 -4.566 -9.083 -3.893 144 HA HIS 21 HA HIS 21 -4.403 -10.470 -1.360 145 HB2 HIS 21 2HB HIS 21 -3.437 -7.737 -2.387 146 HB3 HIS 21 3HB HIS 21 -2.864 -8.612 -0.932 147 HD1 HIS 21 1HD HIS 21 -2.379 -11.405 -2.033 148 HD2 HIS 21 2HD HIS 21 -1.250 -7.825 -3.980 149 HE1 HIS 21 1HE HIS 21 -0.360 -11.937 -3.570 150 HE2 HIS 21 2HE HIS 21 0.364 -9.764 -4.654 151 HN1 NH2 22 HN1 NH2 22 -4.577 -9.039 0.890 152 H1 ACE 23 H1 ACE 23 -2.284 -17.083 -3.590 153 H2 ACE 23 H2 ACE 23 -1.637 -15.875 -4.816 154 H3 ACE 23 H3 ACE 23 -1.288 -17.579 -5.024 155 H ALA 24 H ALA 24 0.549 -18.405 -3.866 156 HA ALA 24 HA ALA 24 1.637 -17.098 -1.646 157 HB1 ALA 24 1HB ALA 24 2.771 -19.243 -3.505 158 HB2 ALA 24 2HB ALA 24 3.425 -18.929 -1.900 159 HB3 ALA 24 3HB ALA 24 1.731 -19.507 -2.069 160 H LYS 25 H LYS 25 3.277 -17.408 -4.820 161 HA LYS 25 HA LYS 25 5.337 -15.767 -4.102 162 HB2 LYS 25 2HB LYS 25 5.789 -15.531 -6.550 163 HB3 LYS 25 3HB LYS 25 5.581 -17.178 -6.054 164 HG2 LYS 25 2HG LYS 25 3.446 -17.309 -7.157 165 HG3 LYS 25 3HG LYS 25 3.344 -15.553 -7.332 166 HD2 LYS 25 2HD LYS 25 5.102 -15.500 -8.966 167 HD3 LYS 25 3HD LYS 25 5.335 -17.232 -8.890 168 HE2 LYS 25 2HE LYS 25 3.044 -17.647 -9.465 169 HE3 LYS 25 3HE LYS 25 2.618 -15.998 -9.791 170 HZ1 LYS 25 3HZ LYS 25 3.039 -17.298 -11.683 171 HZ2 LYS 25 1HZ LYS 25 3.662 -15.756 -11.550 172 HZ3 LYS 25 2HZ LYS 25 4.615 -17.095 -11.322 173 H ALA 26 H ALA 26 2.295 -14.574 -5.191 174 HA ALA 26 HA ALA 26 3.184 -11.730 -5.265 175 HB1 ALA 26 1HB ALA 26 1.358 -12.678 -6.620 176 HB2 ALA 26 2HB ALA 26 0.325 -12.866 -5.170 177 HB3 ALA 26 3HB ALA 26 0.898 -11.329 -5.664 178 H ALA 27 H ALA 27 1.613 -13.697 -2.562 179 HA ALA 27 HA ALA 27 1.411 -11.598 -0.827 180 HB1 ALA 27 1HB ALA 27 1.416 -13.161 0.789 181 HB2 ALA 27 2HB ALA 27 0.489 -13.749 -0.637 182 HB3 ALA 27 3HB ALA 27 2.117 -14.442 -0.195 183 H ALA 28 H ALA 28 4.330 -13.843 -1.619 184 HA ALA 28 HA ALA 28 5.649 -12.561 0.544 185 HB1 ALA 28 1HB ALA 28 6.908 -14.366 -1.686 186 HB2 ALA 28 2HB ALA 28 7.425 -14.053 0.015 187 HB3 ALA 28 3HB ALA 28 6.068 -14.988 -0.328 188 H ALA 29 H ALA 29 5.308 -11.891 -2.847 189 HA ALA 29 HA ALA 29 7.611 -10.172 -3.068 190 HB1 ALA 29 1HB ALA 29 4.966 -10.118 -4.600 191 HB2 ALA 29 2HB ALA 29 6.516 -9.393 -5.117 192 HB3 ALA 29 3HB ALA 29 6.536 -11.005 -5.010 193 H ALA 30 H ALA 30 4.180 -9.437 -2.401 194 HA ALA 30 HA ALA 30 4.474 -6.662 -2.203 195 HB1 ALA 30 1HB ALA 30 2.276 -7.566 -2.325 196 HB2 ALA 30 2HB ALA 30 2.440 -8.610 -0.822 197 HB3 ALA 30 3HB ALA 30 2.506 -6.880 -0.725 198 H ILE 31 H ILE 31 4.723 -9.251 0.163 199 HA ILE 31 HA ILE 31 5.332 -7.618 2.418 200 HB ILE 31 HB ILE 31 5.994 -10.556 1.924 201 HG12 ILE 31 2HG1 ILE 31 3.660 -10.491 2.146 202 HG13 ILE 31 3HG1 ILE 31 4.416 -11.167 3.587 203 HG21 ILE 31 1HG2 ILE 31 6.527 -10.721 4.280 204 HG22 ILE 31 2HG2 ILE 31 7.605 -9.708 3.323 205 HG23 ILE 31 3HG2 ILE 31 6.473 -8.949 4.410 206 HD11 ILE 31 3HD1 ILE 31 3.743 -8.294 3.899 207 HD12 ILE 31 1HD1 ILE 31 2.341 -9.413 3.776 208 HD13 ILE 31 2HD1 ILE 31 3.642 -9.571 4.961 209 H LYS 32 H LYS 32 7.509 -9.115 0.009 210 HA LYS 32 HA LYS 32 9.740 -8.001 1.325 211 HB2 LYS 32 2HB LYS 32 9.301 -9.396 -1.308 212 HB3 LYS 32 3HB LYS 32 10.866 -8.648 -1.118 213 HG2 LYS 32 2HG LYS 32 11.533 -9.859 0.677 214 HG3 LYS 32 3HG LYS 32 9.978 -10.489 1.102 215 HD2 LYS 32 2HD LYS 32 9.847 -11.635 -1.124 216 HD3 LYS 32 3HD LYS 32 11.517 -11.123 -1.409 217 HE2 LYS 32 2HE LYS 32 12.321 -12.439 0.450 218 HE3 LYS 32 3HE LYS 32 10.684 -13.030 0.794 219 HZ1 LYS 32 3HZ LYS 32 10.962 -14.602 -0.527 220 HZ2 LYS 32 1HZ LYS 32 10.952 -13.514 -1.746 221 HZ3 LYS 32 2HZ LYS 32 12.404 -13.926 -1.183 222 H ALA 33 H ALA 33 7.374 -6.167 -0.111 223 HA ALA 33 HA ALA 33 9.302 -4.061 -0.911 224 HB1 ALA 33 1HB ALA 33 7.487 -4.483 -2.326 225 HB2 ALA 33 2HB ALA 33 6.284 -4.328 -0.968 226 HB3 ALA 33 3HB ALA 33 7.298 -2.983 -1.567 227 H ILE 34 H ILE 34 6.680 -4.531 1.237 228 HA ILE 34 HA ILE 34 7.130 -2.168 2.828 229 HB ILE 34 HB ILE 34 5.575 -3.098 4.552 230 HG12 ILE 34 2HG1 ILE 34 5.138 -5.399 2.676 231 HG13 ILE 34 3HG1 ILE 34 5.880 -5.486 4.309 232 HG21 ILE 34 1HG2 ILE 34 4.901 -1.635 2.772 233 HG22 ILE 34 2HG2 ILE 34 4.487 -2.984 1.703 234 HG23 ILE 34 3HG2 ILE 34 3.635 -2.696 3.213 235 HD11 ILE 34 3HD1 ILE 34 3.614 -6.316 4.435 236 HD12 ILE 34 1HD1 ILE 34 3.879 -4.983 5.462 237 HD13 ILE 34 2HD1 ILE 34 2.994 -4.672 4.119 238 H ALA 35 H ALA 35 8.508 -5.389 3.302 239 HA ALA 35 HA ALA 35 8.853 -5.400 5.975 240 HB1 ALA 35 1HB ALA 35 9.179 -7.247 4.564 241 HB2 ALA 35 2HB ALA 35 10.822 -6.603 4.064 242 HB3 ALA 35 3HB ALA 35 10.489 -7.255 5.699 243 H ALA 36 H ALA 36 10.835 -3.650 3.782 244 HA ALA 36 HA ALA 36 12.629 -2.820 6.077 245 HB1 ALA 36 1HB ALA 36 13.480 -3.348 3.595 246 HB2 ALA 36 2HB ALA 36 12.921 -1.852 3.123 247 HB3 ALA 36 3HB ALA 36 14.009 -1.933 4.597 248 H ILE 37 H ILE 37 10.435 -1.366 3.594 249 HA ILE 37 HA ILE 37 10.155 1.215 4.710 250 HB ILE 37 HB ILE 37 8.710 -0.678 3.017 251 HG12 ILE 37 2HG1 ILE 37 8.527 2.321 3.147 252 HG13 ILE 37 3HG1 ILE 37 9.821 1.367 2.340 253 HG21 ILE 37 1HG2 ILE 37 6.808 1.179 4.387 254 HG22 ILE 37 2HG2 ILE 37 6.559 -0.052 3.070 255 HG23 ILE 37 3HG2 ILE 37 6.935 -0.474 4.820 256 HD11 ILE 37 3HD1 ILE 37 6.965 1.383 1.452 257 HD12 ILE 37 1HD1 ILE 37 8.232 2.119 0.635 258 HD13 ILE 37 2HD1 ILE 37 8.407 0.404 0.792 259 H ILE 38 H ILE 38 8.939 -1.728 6.069 260 HA ILE 38 HA ILE 38 7.369 -0.808 8.228 261 HB ILE 38 HB ILE 38 8.586 -3.291 7.503 262 HG12 ILE 38 2HG1 ILE 38 5.945 -2.739 8.780 263 HG13 ILE 38 3HG1 ILE 38 6.292 -2.240 7.090 264 HG21 ILE 38 1HG2 ILE 38 9.306 -3.283 9.982 265 HG22 ILE 38 2HG2 ILE 38 7.700 -2.932 10.388 266 HG23 ILE 38 3HG2 ILE 38 8.200 -4.375 9.491 267 HD11 ILE 38 3HD1 ILE 38 6.614 -4.404 6.306 268 HD12 ILE 38 1HD1 ILE 38 6.918 -5.082 7.896 269 HD13 ILE 38 2HD1 ILE 38 5.267 -4.522 7.387 270 H LYS 39 H LYS 39 10.917 -0.591 8.061 271 HA LYS 39 HA LYS 39 10.929 0.109 10.941 272 HB2 LYS 39 2HB LYS 39 13.091 0.059 8.809 273 HB3 LYS 39 3HB LYS 39 13.395 0.542 10.477 274 HG2 LYS 39 2HG LYS 39 12.338 -2.174 9.824 275 HG3 LYS 39 3HG LYS 39 14.021 -1.773 9.854 276 HD2 LYS 39 2HD LYS 39 13.778 -1.102 12.240 277 HD3 LYS 39 3HD LYS 39 12.086 -1.244 12.268 278 HE2 LYS 39 2HE LYS 39 13.048 -3.160 13.340 279 HE3 LYS 39 3HE LYS 39 12.270 -3.677 11.893 280 HZ1 LYS 39 3HZ LYS 39 15.211 -3.188 12.288 281 HZ2 LYS 39 1HZ LYS 39 14.541 -4.656 12.287 282 HZ3 LYS 39 2HZ LYS 39 14.478 -3.714 10.902 283 H ALA 40 H ALA 40 9.591 1.792 8.327 284 HA ALA 40 HA ALA 40 10.397 4.346 9.226 285 HB1 ALA 40 1HB ALA 40 8.512 5.023 7.828 286 HB2 ALA 40 2HB ALA 40 9.625 3.761 7.076 287 HB3 ALA 40 3HB ALA 40 8.067 3.337 7.680 288 H GLY 41 H GLY 41 8.162 1.998 10.320 289 HA2 GLY 41 2HA GLY 41 7.208 3.810 12.510 290 HA3 GLY 41 3HA GLY 41 6.020 3.073 11.411 291 H GLY 42 H GLY 42 5.478 2.805 13.911 292 HA2 GLY 42 2HA GLY 42 6.201 0.164 14.753 293 HA3 GLY 42 3HA GLY 42 4.721 1.064 15.263 294 H HIS 43 H HIS 43 5.871 0.136 12.084 295 HA HIS 43 HA HIS 43 3.369 -1.038 11.302 296 HB2 HIS 43 2HB HIS 43 5.992 -1.086 9.756 297 HB3 HIS 43 3HB HIS 43 4.363 -1.242 9.121 298 HD1 HIS 43 1HD HIS 43 3.395 1.598 11.015 299 HD2 HIS 43 2HD HIS 43 6.240 1.028 7.876 300 HE1 HIS 43 1HE HIS 43 3.457 3.597 9.663 301 HE2 HIS 43 2HE HIS 43 4.986 3.246 7.645 302 HN1 NH2 44 HN1 NH2 44 3.508 -3.133 9.647 303 H1 ACE 45 H1 ACE 45 -5.852 8.033 4.369 304 H2 ACE 45 H2 ACE 45 -5.767 6.382 3.813 305 H3 ACE 45 H3 ACE 45 -7.274 6.896 4.543 306 H ALA 46 H ALA 46 -4.479 8.428 5.865 307 HA ALA 46 HA ALA 46 -3.142 6.692 7.430 308 HB1 ALA 46 1HB ALA 46 -3.810 9.544 8.013 309 HB2 ALA 46 2HB ALA 46 -2.542 8.704 8.835 310 HB3 ALA 46 3HB ALA 46 -2.512 8.884 7.035 311 H LYS 47 H LYS 47 -6.024 8.519 8.673 312 HA LYS 47 HA LYS 47 -6.033 7.522 11.334 313 HB2 LYS 47 2HB LYS 47 -7.298 9.409 10.601 314 HB3 LYS 47 3HB LYS 47 -8.332 8.499 9.631 315 HG2 LYS 47 2HG LYS 47 -9.000 7.293 11.853 316 HG3 LYS 47 3HG LYS 47 -8.045 8.398 12.726 317 HD2 LYS 47 2HD LYS 47 -10.121 9.371 10.755 318 HD3 LYS 47 3HD LYS 47 -10.761 8.881 12.254 319 HE2 LYS 47 2HE LYS 47 -8.532 10.897 12.360 320 HE3 LYS 47 3HE LYS 47 -10.208 11.308 11.804 321 HZ1 LYS 47 3HZ LYS 47 -9.808 11.506 14.260 322 HZ2 LYS 47 1HZ LYS 47 -11.156 10.736 13.791 323 HZ3 LYS 47 2HZ LYS 47 -9.954 9.907 14.334 324 H ALA 48 H ALA 48 -7.950 6.119 8.603 325 HA ALA 48 HA ALA 48 -8.733 3.825 9.855 326 HB1 ALA 48 1HB ALA 48 -9.551 3.166 7.831 327 HB2 ALA 48 2HB ALA 48 -9.732 4.853 7.981 328 HB3 ALA 48 3HB ALA 48 -8.453 4.194 6.889 329 H ALA 49 H ALA 49 -5.715 4.409 7.656 330 HA ALA 49 HA ALA 49 -4.997 1.763 7.350 331 HB1 ALA 49 1HB ALA 49 -3.232 2.522 6.441 332 HB2 ALA 49 2HB ALA 49 -4.287 3.839 6.165 333 HB3 ALA 49 3HB ALA 49 -3.076 4.031 7.544 334 H ALA 50 H ALA 50 -4.323 3.914 10.074 335 HA ALA 50 HA ALA 50 -2.579 2.681 11.742 336 HB1 ALA 50 1HB ALA 50 -5.280 3.354 12.810 337 HB2 ALA 50 2HB ALA 50 -3.664 3.706 13.467 338 HB3 ALA 50 3HB ALA 50 -4.310 4.557 11.967 339 H ALA 51 H ALA 51 -5.869 1.457 11.411 340 HA ALA 51 HA ALA 51 -5.406 -0.879 13.079 341 HB1 ALA 51 1HB ALA 51 -7.744 0.164 12.641 342 HB2 ALA 51 2HB ALA 51 -7.633 -0.629 10.991 343 HB3 ALA 51 3HB ALA 51 -7.584 -1.611 12.391 344 H ALA 52 H ALA 52 -5.309 -0.546 9.458 345 HA ALA 52 HA ALA 52 -4.855 -3.288 9.068 346 HB1 ALA 52 1HB ALA 52 -5.311 -1.674 7.305 347 HB2 ALA 52 2HB ALA 52 -3.788 -0.831 7.467 348 HB3 ALA 52 3HB ALA 52 -3.909 -2.489 6.878 349 H ILE 53 H ILE 53 -2.685 -0.701 9.571 350 HA ILE 53 HA ILE 53 -0.156 -1.999 9.347 351 HB ILE 53 HB ILE 53 -0.990 0.518 10.542 352 HG12 ILE 53 2HG1 ILE 53 -1.328 0.474 8.120 353 HG13 ILE 53 3HG1 ILE 53 -0.157 1.659 8.540 354 HG21 ILE 53 1HG2 ILE 53 1.089 -0.287 11.670 355 HG22 ILE 53 2HG2 ILE 53 1.792 -0.336 10.052 356 HG23 ILE 53 3HG2 ILE 53 1.250 1.173 10.677 357 HD11 ILE 53 3HD1 ILE 53 1.708 0.093 7.836 358 HD12 ILE 53 1HD1 ILE 53 0.433 -1.121 7.353 359 HD13 ILE 53 2HD1 ILE 53 0.516 0.360 6.589 360 H LYS 54 H LYS 54 -2.076 -1.076 12.261 361 HA LYS 54 HA LYS 54 -0.220 -2.305 14.045 362 HB2 LYS 54 2HB LYS 54 -2.350 -0.671 14.442 363 HB3 LYS 54 3HB LYS 54 -3.104 -2.250 14.779 364 HG2 LYS 54 2HG LYS 54 -1.281 -2.811 16.356 365 HG3 LYS 54 3HG LYS 54 -0.598 -1.210 16.100 366 HD2 LYS 54 2HD LYS 54 -2.511 -0.133 17.062 367 HD3 LYS 54 3HD LYS 54 -3.465 -1.563 17.238 368 HE2 LYS 54 2HE LYS 54 -0.827 -1.213 18.679 369 HE3 LYS 54 3HE LYS 54 -2.486 -0.858 19.250 370 HZ1 LYS 54 3HZ LYS 54 -3.041 -3.188 18.941 371 HZ2 LYS 54 1HZ LYS 54 -1.565 -3.514 18.334 372 HZ3 LYS 54 2HZ LYS 54 -1.901 -3.100 19.937 373 H ALA 55 H ALA 55 -2.624 -3.758 12.162 374 HA ALA 55 HA ALA 55 -3.013 -6.153 13.790 375 HB1 ALA 55 1HB ALA 55 -4.521 -6.682 11.855 376 HB2 ALA 55 2HB ALA 55 -4.937 -5.299 12.681 377 HB3 ALA 55 3HB ALA 55 -4.066 -5.334 11.004 378 H ILE 56 H ILE 56 -1.305 -5.142 10.776 379 HA ILE 56 HA ILE 56 -0.043 -7.788 10.587 380 HB ILE 56 HB ILE 56 1.371 -7.077 9.001 381 HG12 ILE 56 2HG1 ILE 56 0.094 -4.381 8.901 382 HG13 ILE 56 3HG1 ILE 56 1.764 -4.713 9.407 383 HG21 ILE 56 1HG2 ILE 56 -0.841 -8.129 8.573 384 HG22 ILE 56 2HG2 ILE 56 -1.516 -6.558 8.272 385 HG23 ILE 56 3HG2 ILE 56 -0.156 -7.191 7.230 386 HD11 ILE 56 3HD1 ILE 56 1.921 -3.951 7.139 387 HD12 ILE 56 1HD1 ILE 56 2.394 -5.643 7.301 388 HD13 ILE 56 2HD1 ILE 56 0.820 -5.238 6.672 389 H ALA 57 H ALA 57 1.089 -4.546 12.047 390 HA ALA 57 HA ALA 57 3.529 -5.362 12.810 391 HB1 ALA 57 1HB ALA 57 1.588 -4.049 14.691 392 HB2 ALA 57 2HB ALA 57 3.339 -3.777 14.406 393 HB3 ALA 57 3HB ALA 57 2.153 -3.132 13.273 394 H ALA 58 H ALA 58 0.630 -6.366 14.593 395 HA ALA 58 HA ALA 58 1.887 -8.069 16.444 396 HB1 ALA 58 1HB ALA 58 -0.169 -7.083 16.749 397 HB2 ALA 58 2HB ALA 58 -0.831 -7.888 15.287 398 HB3 ALA 58 3HB ALA 58 -0.264 -8.872 16.764 399 H ILE 59 H ILE 59 1.826 -8.595 13.290 400 HA ILE 59 HA ILE 59 1.489 -11.571 13.233 401 HB ILE 59 HB ILE 59 0.173 -9.450 11.684 402 HG12 ILE 59 2HG1 ILE 59 -0.176 -12.476 11.724 403 HG13 ILE 59 3HG1 ILE 59 -0.746 -11.380 13.042 404 HG21 ILE 59 1HG2 ILE 59 1.422 -11.265 9.746 405 HG22 ILE 59 2HG2 ILE 59 0.108 -10.067 9.624 406 HG23 ILE 59 3HG2 ILE 59 1.731 -9.562 10.131 407 HD11 ILE 59 3HD1 ILE 59 -2.317 -10.340 11.919 408 HD12 ILE 59 1HD1 ILE 59 -1.695 -10.895 10.282 409 HD13 ILE 59 2HD1 ILE 59 -2.519 -11.944 11.579 410 H ILE 60 H ILE 60 3.481 -8.774 12.346 411 HA ILE 60 HA ILE 60 4.904 -9.705 10.263 412 HB ILE 60 HB ILE 60 5.439 -7.667 12.573 413 HG12 ILE 60 2HG1 ILE 60 4.137 -6.607 11.295 414 HG13 ILE 60 3HG1 ILE 60 5.684 -6.417 10.380 415 HG21 ILE 60 1HG2 ILE 60 7.673 -8.292 12.389 416 HG22 ILE 60 2HG2 ILE 60 7.528 -8.291 10.606 417 HG23 ILE 60 3HG2 ILE 60 7.330 -6.791 11.518 418 HD11 ILE 60 3HD1 ILE 60 4.936 -7.473 8.511 419 HD12 ILE 60 1HD1 ILE 60 3.393 -8.029 9.341 420 HD13 ILE 60 2HD1 ILE 60 3.829 -6.323 9.062 421 H LYS 61 H LYS 61 5.545 -10.512 13.601 422 HA LYS 61 HA LYS 61 7.815 -11.771 13.558 423 HB2 LYS 61 2HB LYS 61 6.967 -13.061 15.454 424 HB3 LYS 61 3HB LYS 61 6.508 -11.419 15.581 425 HG2 LYS 61 2HG LYS 61 4.251 -12.145 14.560 426 HG3 LYS 61 3HG LYS 61 4.702 -13.766 14.659 427 HD2 LYS 61 2HD LYS 61 5.022 -13.332 17.242 428 HD3 LYS 61 3HD LYS 61 4.379 -11.687 16.906 429 HE2 LYS 61 2HE LYS 61 2.509 -12.721 17.661 430 HE3 LYS 61 3HE LYS 61 2.385 -12.735 15.867 431 HZ1 LYS 61 3HZ LYS 61 3.233 -15.000 17.379 432 HZ2 LYS 61 1HZ LYS 61 1.722 -14.737 16.830 433 HZ3 LYS 61 2HZ LYS 61 2.898 -14.976 15.733 434 H ALA 62 H ALA 62 4.890 -13.078 12.065 435 HA ALA 62 HA ALA 62 5.040 -15.707 12.474 436 HB1 ALA 62 1HB ALA 62 3.830 -14.098 10.204 437 HB2 ALA 62 2HB ALA 62 3.277 -15.733 10.671 438 HB3 ALA 62 3HB ALA 62 3.140 -14.400 11.751 439 H GLY 63 H GLY 63 6.301 -14.182 9.677 440 HA2 GLY 63 2HA GLY 63 8.347 -16.219 9.092 441 HA3 GLY 63 3HA GLY 63 7.151 -15.791 7.821 442 H GLY 64 H GLY 64 8.550 -13.685 10.188 443 HA2 GLY 64 2HA GLY 64 10.003 -11.917 10.277 444 HA3 GLY 64 3HA GLY 64 11.020 -12.880 9.213 445 H HIS 65 H HIS 65 8.002 -11.036 9.133 446 HA HIS 65 HA HIS 65 8.367 -10.026 6.460 447 HB2 HIS 65 2HB HIS 65 6.218 -9.304 8.528 448 HB3 HIS 65 3HB HIS 65 5.990 -9.260 6.773 449 HD1 HIS 65 1HD HIS 65 6.750 -12.092 5.764 450 HD2 HIS 65 2HD HIS 65 4.554 -11.360 9.234 451 HE1 HIS 65 1HE HIS 65 5.196 -14.066 6.185 452 HE2 HIS 65 2HE HIS 65 3.889 -13.676 8.234 453 HN1 NH2 66 HN1 NH2 66 10.311 -8.998 8.464 454 H1 ACE 67 H1 ACE 67 9.278 -18.794 3.869 455 H2 ACE 67 H2 ACE 67 8.245 -19.958 2.955 456 H3 ACE 67 H3 ACE 67 9.457 -18.959 2.127 457 H ALA 68 H ALA 68 6.258 -19.290 2.384 458 HA ALA 68 HA ALA 68 5.412 -16.461 2.260 459 HB1 ALA 68 1HB ALA 68 6.282 -17.148 0.071 460 HB2 ALA 68 2HB ALA 68 5.173 -18.527 0.028 461 HB3 ALA 68 3HB ALA 68 4.550 -16.841 0.182 462 H LYS 69 H LYS 69 4.695 -19.717 3.209 463 HA LYS 69 HA LYS 69 1.928 -19.622 3.361 464 HB2 LYS 69 2HB LYS 69 3.326 -21.541 4.149 465 HB3 LYS 69 3HB LYS 69 3.792 -20.543 5.538 466 HG2 LYS 69 2HG LYS 69 1.328 -20.469 6.191 467 HG3 LYS 69 3HG LYS 69 1.074 -21.675 4.885 468 HD2 LYS 69 2HD LYS 69 2.450 -23.307 5.927 469 HD3 LYS 69 3HD LYS 69 2.851 -22.165 7.232 470 HE2 LYS 69 2HE LYS 69 1.232 -23.571 8.140 471 HE3 LYS 69 3HE LYS 69 0.411 -22.094 7.917 472 HZ1 LYS 69 3HZ LYS 69 0.236 -24.564 6.286 473 HZ2 LYS 69 1HZ LYS 69 -0.922 -23.891 7.030 474 HZ3 LYS 69 2HZ LYS 69 -0.495 -23.216 5.700 475 H ALA 70 H ALA 70 4.016 -18.275 5.677 476 HA ALA 70 HA ALA 70 2.379 -16.957 7.554 477 HB1 ALA 70 1HB ALA 70 5.201 -16.283 6.682 478 HB2 ALA 70 2HB ALA 70 4.283 -15.720 8.104 479 HB3 ALA 70 3HB ALA 70 4.573 -17.427 7.889 480 H ALA 71 H ALA 71 4.020 -15.659 4.655 481 HA ALA 71 HA ALA 71 2.981 -13.059 4.672 482 HB1 ALA 71 1HB ALA 71 3.463 -12.863 2.356 483 HB2 ALA 71 2HB ALA 71 4.720 -13.795 3.010 484 HB3 ALA 71 3HB ALA 71 3.585 -14.621 2.057 485 H ALA 72 H ALA 72 1.468 -15.927 2.912 486 HA ALA 72 HA ALA 72 -0.760 -14.459 2.077 487 HB1 ALA 72 1HB ALA 72 -1.555 -16.505 1.198 488 HB2 ALA 72 2HB ALA 72 0.260 -16.637 1.148 489 HB3 ALA 72 3HB ALA 72 -0.732 -17.457 2.350 490 H ALA 73 H ALA 73 -0.373 -16.254 5.327 491 HA ALA 73 HA ALA 73 -3.097 -15.932 5.954 492 HB1 ALA 73 1HB ALA 73 -2.565 -16.347 8.152 493 HB2 ALA 73 2HB ALA 73 -1.697 -17.365 7.001 494 HB3 ALA 73 3HB ALA 73 -0.815 -16.099 7.909 495 H ALA 74 H ALA 74 -0.357 -13.772 6.499 496 HA ALA 74 HA ALA 74 -1.794 -11.764 7.760 497 HB1 ALA 74 1HB ALA 74 0.850 -11.726 6.213 498 HB2 ALA 74 2HB ALA 74 0.110 -10.240 7.017 499 HB3 ALA 74 3HB ALA 74 0.418 -11.787 7.854 500 H ILE 75 H ILE 75 -1.353 -12.099 4.421 501 HA ILE 75 HA ILE 75 -2.653 -9.757 3.429 502 HB ILE 75 HB ILE 75 -1.941 -12.391 2.175 503 HG12 ILE 75 2HG1 ILE 75 0.007 -11.132 3.047 504 HG13 ILE 75 3HG1 ILE 75 0.034 -11.420 1.304 505 HG21 ILE 75 1HG2 ILE 75 -3.511 -11.489 0.668 506 HG22 ILE 75 2HG2 ILE 75 -2.679 -9.827 0.824 507 HG23 ILE 75 3HG2 ILE 75 -2.012 -11.205 -0.025 508 HD11 ILE 75 3HD1 ILE 75 -0.718 -8.644 2.339 509 HD12 ILE 75 1HD1 ILE 75 0.945 -9.280 1.863 510 HD13 ILE 75 2HD1 ILE 75 -0.466 -9.217 0.786 511 H LYS 76 H LYS 76 -3.691 -13.058 3.746 512 HA LYS 76 HA LYS 76 -6.392 -12.745 2.876 513 HB2 LYS 76 2HB LYS 76 -4.838 -14.823 3.473 514 HB3 LYS 76 3HB LYS 76 -5.261 -14.565 5.113 515 HG2 LYS 76 2HG LYS 76 -7.614 -15.119 4.568 516 HG3 LYS 76 3HG LYS 76 -7.386 -14.947 2.935 517 HD2 LYS 76 2HD LYS 76 -5.605 -17.083 3.516 518 HD3 LYS 76 3HD LYS 76 -6.526 -17.154 5.002 519 HE2 LYS 76 2HE LYS 76 -8.664 -17.380 3.748 520 HE3 LYS 76 3HE LYS 76 -7.777 -17.134 2.255 521 HZ1 LYS 76 3HZ LYS 76 -6.396 -19.238 3.179 522 HZ2 LYS 76 1HZ LYS 76 -7.607 -19.370 4.208 523 HZ3 LYS 76 2HZ LYS 76 -7.962 -19.430 2.613 524 H ALA 77 H ALA 77 -4.929 -11.741 5.872 525 HA ALA 77 HA ALA 77 -7.538 -11.320 7.180 526 HB1 ALA 77 1HB ALA 77 -6.037 -11.014 9.233 527 HB2 ALA 77 2HB ALA 77 -5.700 -12.541 8.303 528 HB3 ALA 77 3HB ALA 77 -4.706 -11.050 8.063 529 H ILE 78 H ILE 78 -4.623 -9.245 6.140 530 HA ILE 78 HA ILE 78 -6.176 -6.959 6.872 531 HB ILE 78 HB ILE 78 -4.762 -5.682 5.281 532 HG12 ILE 78 2HG1 ILE 78 -2.760 -7.878 5.382 533 HG13 ILE 78 3HG1 ILE 78 -3.817 -7.893 3.979 534 HG21 ILE 78 1HG2 ILE 78 -2.923 -5.622 6.782 535 HG22 ILE 78 2HG2 ILE 78 -4.399 -5.596 7.662 536 HG23 ILE 78 3HG2 ILE 78 -3.507 -7.140 7.515 537 HD11 ILE 78 3HD1 ILE 78 -2.176 -5.525 4.745 538 HD12 ILE 78 1HD1 ILE 78 -1.869 -6.736 3.504 539 HD13 ILE 78 2HD1 ILE 78 -3.263 -5.657 3.301 540 H ALA 79 H ALA 79 -6.402 -9.169 3.845 541 HA ALA 79 HA ALA 79 -7.630 -7.536 2.112 542 HB1 ALA 79 1HB ALA 79 -8.717 -9.616 1.293 543 HB2 ALA 79 2HB ALA 79 -7.131 -10.080 1.850 544 HB3 ALA 79 3HB ALA 79 -8.585 -10.388 2.783 545 H ALA 80 H ALA 80 -9.224 -9.260 4.961 546 HA ALA 80 HA ALA 80 -11.673 -7.901 4.515 547 HB1 ALA 80 1HB ALA 80 -11.736 -10.159 5.550 548 HB2 ALA 80 2HB ALA 80 -10.517 -9.678 6.767 549 HB3 ALA 80 3HB ALA 80 -12.242 -9.082 6.683 550 H ILE 81 H ILE 81 -9.116 -6.325 5.377 551 HA ILE 81 HA ILE 81 -10.383 -4.393 7.220 552 HB ILE 81 HB ILE 81 -8.003 -6.039 7.326 553 HG12 ILE 81 2HG1 ILE 81 -9.081 -4.165 9.387 554 HG13 ILE 81 3HG1 ILE 81 -9.816 -5.696 8.936 555 HG21 ILE 81 1HG2 ILE 81 -6.313 -4.839 7.985 556 HG22 ILE 81 2HG2 ILE 81 -6.843 -3.899 6.514 557 HG23 ILE 81 3HG2 ILE 81 -7.253 -3.251 8.091 558 HD11 ILE 81 3HD1 ILE 81 -8.318 -5.923 10.891 559 HD12 ILE 81 1HD1 ILE 81 -7.494 -6.783 9.412 560 HD13 ILE 81 2HD1 ILE 81 -7.038 -5.218 10.019 561 H ILE 82 H ILE 82 -9.151 -4.883 4.142 562 HA ILE 82 HA ILE 82 -8.163 -2.261 3.415 563 HB ILE 82 HB ILE 82 -8.582 -4.943 2.197 564 HG12 ILE 82 2HG1 ILE 82 -6.270 -3.142 1.949 565 HG13 ILE 82 3HG1 ILE 82 -6.633 -3.983 3.452 566 HG21 ILE 82 1HG2 ILE 82 -8.304 -2.435 0.396 567 HG22 ILE 82 2HG2 ILE 82 -7.959 -4.066 -0.073 568 HG23 ILE 82 3HG2 ILE 82 -9.593 -3.729 0.421 569 HD11 ILE 82 3HD1 ILE 82 -5.067 -5.019 1.482 570 HD12 ILE 82 1HD1 ILE 82 -5.842 -5.943 2.724 571 HD13 ILE 82 2HD1 ILE 82 -6.711 -5.885 1.291 572 H LYS 83 H LYS 83 -11.467 -3.672 3.315 573 HA LYS 83 HA LYS 83 -12.671 -1.517 2.191 574 HB2 LYS 83 2HB LYS 83 -14.618 -2.215 3.557 575 HB3 LYS 83 3HB LYS 83 -13.816 -3.502 2.711 576 HG2 LYS 83 2HG LYS 83 -12.739 -4.200 4.876 577 HG3 LYS 83 3HG LYS 83 -13.292 -2.754 5.685 578 HD2 LYS 83 2HD LYS 83 -15.560 -3.376 5.535 579 HD3 LYS 83 3HD LYS 83 -15.265 -4.660 4.409 580 HE2 LYS 83 2HE LYS 83 -14.283 -6.022 6.247 581 HE3 LYS 83 3HE LYS 83 -14.582 -4.657 7.333 582 HZ1 LYS 83 3HZ LYS 83 -16.896 -5.100 7.289 583 HZ2 LYS 83 1HZ LYS 83 -16.909 -5.811 5.877 584 HZ3 LYS 83 2HZ LYS 83 -16.339 -6.528 7.173 585 H ALA 84 H ALA 84 -11.336 -1.504 5.444 586 HA ALA 84 HA ALA 84 -12.478 0.662 6.545 587 HB1 ALA 84 1HB ALA 84 -10.974 -0.769 7.736 588 HB2 ALA 84 2HB ALA 84 -9.626 -0.161 6.860 589 HB3 ALA 84 3HB ALA 84 -10.435 1.003 7.855 590 H GLY 85 H GLY 85 -10.068 0.816 4.008 591 HA2 GLY 85 2HA GLY 85 -10.901 3.678 3.511 592 HA3 GLY 85 3HA GLY 85 -9.287 3.445 4.088 593 H GLY 86 H GLY 86 -9.627 0.780 2.406 594 HA2 GLY 86 2HA GLY 86 -9.649 0.116 0.251 595 HA3 GLY 86 3HA GLY 86 -9.406 1.769 -0.365 596 H HIS 87 H HIS 87 -7.260 0.084 2.111 597 HA HIS 87 HA HIS 87 -5.037 0.985 1.063 598 HB2 HIS 87 2HB HIS 87 -5.396 -1.392 2.851 599 HB3 HIS 87 3HB HIS 87 -4.111 -0.255 2.819 600 HD1 HIS 87 1HD HIS 87 -5.820 2.507 3.328 601 HD2 HIS 87 2HD HIS 87 -7.111 -1.122 4.967 602 HE1 HIS 87 1HE HIS 87 -6.778 3.166 5.337 603 HE2 HIS 87 2HE HIS 87 -7.844 0.960 6.330 604 HN1 NH2 88 HN1 NH2 88 -6.566 -1.215 -0.882 605 HN2 NH2 88 HN2 NH2 88 -5.236 -2.285 -1.226