REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "{(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER" RESIDUE AXQ 38 118 1 118 1 CHI1 0 0 0.0000 58 1 2 3 57 2 CHI2 0 0 0.0000 1 2 3 4 54 3 CHI3 0 0 0.0000 3 4 5 6 52 4 CHI4 0 0 0.0000 4 5 6 7 49 5 CHI5 0 0 0.0000 5 6 7 8 49 6 CHI6 0 0 0.0000 6 7 8 9 46 7 CHI7 0 0 0.0000 7 8 9 10 23 8 CHI8 0 0 0.0000 8 9 10 11 22 9 CHI9 0 0 0.0000 9 10 11 12 21 10 CHI10 0 0 0.0000 10 11 12 13 15 11 CHI11 0 0 0.0000 11 12 13 14 14 12 CHI12 0 0 0.0000 10 11 16 17 20 13 CHI13 0 0 0.0000 7 8 24 25 45 14 CHI14 0 0 0.0000 8 24 25 26 43 15 CHI15 0 0 0.0000 24 25 27 28 43 16 CHI16 0 0 0.0000 25 27 28 29 43 17 CHI17 0 0 0.0000 27 28 29 30 33 18 CHI18 0 0 0.0000 27 28 34 35 38 19 CHI19 0 0 0.0000 27 28 39 40 43 20 PHI1 0 0 0.0000 2 1 58 62 0 21 PHI2 0 0 0.0000 1 58 62 64 0 22 PHI3 0 0 0.0000 58 62 64 68 0 23 CHI20 0 0 0.0000 62 64 65 66 66 24 PHI4 0 0 0.0000 62 64 68 72 0 25 PHI5 0 0 0.0000 64 68 72 79 0 26 CHI21 0 0 0.0000 68 72 73 74 77 27 PHI6 0 0 0.0000 68 72 79 81 0 28 PHI7 0 0 0.0000 72 79 81 83 0 29 PHI8 0 0 0.0000 79 81 83 98 0 30 CHI22 0 0 0.0000 81 83 84 85 96 31 CHI23 0 0 0.0000 83 84 85 86 89 32 CHI24 0 0 0.0000 83 84 90 91 94 33 PHI9 0 0 0.0000 81 83 98 100 0 34 PHI10 0 0 0.0000 83 98 100 102 0 35 PHI11 0 0 0.0000 98 100 102 106 0 36 PHI12 0 0 0.0000 100 102 106 110 0 37 PHI13 0 0 0.0000 102 106 110 114 0 38 PHI14 0 0 0.0000 106 110 114 117 0 1 S1 S_RED 0 0.0000 0.7240 -2.0340 0.9720 2 58 0 0 0 2 C28 C_ALI 0 0.0000 -0.2930 -3.5010 1.2900 1 3 55 56 0 3 C26 C_BYL 0 0.0000 -1.1950 -3.7540 0.1090 2 4 54 0 0 4 C24 C_BYL 0 0.0000 -2.4830 -3.9080 0.2900 3 5 53 0 0 5 C21 C_ALI 0 0.0000 -3.3850 -4.1590 -0.8900 4 6 50 51 0 6 S20 S_RED 0 0.0000 -5.0670 -3.6070 -0.4940 5 7 0 0 0 7 C17 C_ALI 0 0.0000 -5.1450 -2.0940 -1.4920 6 8 47 48 0 8 C15 C_ALI 0 0.0000 -5.5070 -0.9090 -0.5940 7 9 24 46 0 9 C14 C_BYL 0 0.0000 -4.3480 0.0520 -0.5410 8 10 23 0 0 10 N12 N_AMO 0 0.0000 -4.4860 1.2170 0.1550 9 11 22 0 0 11 C10 C_ALI 0 0.0000 -3.3030 2.1050 0.1690 10 12 16 21 0 12 C9 C_BYL 0 0.0000 -2.1910 1.4130 0.9130 11 13 15 0 0 13 N7 N_AMO 0 0.0000 -0.9640 1.3280 0.3650 12 14 62 0 0 14 HN7 H_AMI 0 0.0000 -0.7890 1.7280 -0.5010 13 0 0 0 0 15 O54 O_BYL 0 0.0000 -2.4020 0.9320 2.0060 12 0 0 0 0 16 C50 C_ALI 0 0.0000 -3.6560 3.4190 0.8690 11 17 18 19 0 17 H501 H_ALI 0 0.0000 -3.9650 3.2130 1.8940 16 0 0 0 20 18 H502 H_ALI 0 0.0000 -2.7830 4.0720 0.8770 16 0 0 0 20 19 H503 H_ALI 0 0.0000 -4.4700 3.9080 0.3350 16 0 0 0 20 20 Q1 PSEUD 0 0.0000 -3.7393 3.7310 1.0353 0 0 0 0 0 21 H10 H_ALI 0 0.0000 -2.9880 2.3090 -0.8550 11 0 0 0 0 22 H12 H_AMI 0 0.0000 -5.3090 1.4480 0.6140 10 0 0 0 0 23 O49 O_BYL 0 0.0000 -3.3080 -0.2050 -1.1090 9 0 0 0 0 24 N31 N_AMO 0 0.0000 -6.6840 -0.2260 -1.1380 8 25 45 0 0 25 C33 C_BYL 0 0.0000 -7.4830 0.4900 -0.3230 24 26 27 0 0 26 O34 O_BYL 0 0.0000 -7.2280 0.5700 0.8620 25 0 0 0 0 27 O35 O_EST 0 0.0000 -8.5640 1.1180 -0.8220 25 28 0 0 0 28 C36 C_ALI 0 0.0000 -9.4260 1.8900 0.0550 27 29 34 39 0 29 C37 C_ALI 0 0.0000 -8.6160 3.0120 0.7070 28 30 31 32 0 30 H371 H_ALI 0 0.0000 -8.2080 3.6630 -0.0660 29 0 0 0 33 31 H372 H_ALI 0 0.0000 -9.2620 3.5910 1.3660 29 0 0 0 33 32 H373 H_ALI 0 0.0000 -7.7990 2.5810 1.2870 29 0 0 0 33 33 Q2 PSEUD 0 0.0000 -8.4230 3.2783 0.8623 0 0 0 0 44 34 C41 C_ALI 0 0.0000 -10.5720 2.4950 -0.7580 28 35 36 37 0 35 H411 H_ALI 0 0.0000 -11.1490 1.6960 -1.2220 34 0 0 0 38 36 H412 H_ALI 0 0.0000 -11.2190 3.0740 -0.0990 34 0 0 0 38 37 H413 H_ALI 0 0.0000 -10.1650 3.1460 -1.5310 34 0 0 0 38 38 Q3 PSEUD 0 0.0000 -10.8443 2.6387 -0.9507 0 0 0 0 44 39 C45 C_ALI 0 0.0000 -9.9980 0.9760 1.1410 28 40 41 42 0 40 H451 H_ALI 0 0.0000 -9.1810 0.5450 1.7200 39 0 0 0 43 41 H452 H_ALI 0 0.0000 -10.6440 1.5560 1.8000 39 0 0 0 43 42 H453 H_ALI 0 0.0000 -10.5750 0.1770 0.6770 39 0 0 0 43 43 Q4 PSEUD 0 0.0000 -10.1333 0.7593 1.3990 0 0 0 0 44 44 QQA PSEUD 0 0.0000 -9.8002 2.2254 0.4369 0 0 0 0 0 45 H31 H_AMI 0 0.0000 -6.8870 -0.2890 -2.0840 24 0 0 0 0 46 H15 H_ALI 0 0.0000 -5.7280 -1.2690 0.4110 8 0 0 0 0 47 H171 H_ALI 0 0.0000 -4.1760 -1.9150 -1.9570 7 0 0 0 49 48 H172 H_ALI 0 0.0000 -5.9040 -2.2080 -2.2660 7 0 0 0 49 49 Q5 PSEUD 0 0.0000 -5.0400 -2.0615 -2.1115 0 0 0 0 0 50 H211 H_ALI 0 0.0000 -3.0160 -3.6080 -1.7540 5 0 0 0 52 51 H212 H_ALI 0 0.0000 -3.3970 -5.2250 -1.1180 5 0 0 0 52 52 Q6 PSEUD 0 0.0000 -3.2065 -4.4165 -1.4360 0 0 0 0 0 53 H24 H_ALI 0 0.0000 -2.8980 -3.8530 1.2860 4 0 0 0 0 54 H26 H_ALI 0 0.0000 -0.7780 -3.8090 -0.8860 3 0 0 0 0 55 H281 H_ALI 0 0.0000 0.3540 -4.3650 1.4450 2 0 0 0 57 56 H282 H_ALI 0 0.0000 -0.8990 -3.3370 2.1810 2 0 0 0 57 57 Q7 PSEUD 0 0.0000 -0.2725 -3.8510 1.8130 0 0 0 0 0 58 C2 C_ALI 0 0.0000 -0.4050 -0.7370 1.5500 1 59 60 62 0 59 H21 H_ALI 0 0.0000 -0.4520 -0.7540 2.6380 58 0 0 0 61 60 H22 H_ALI 0 0.0000 -1.4000 -0.9120 1.1400 58 0 0 0 61 61 Q8 PSEUD 0 0.0000 -0.9260 -0.8330 1.8890 0 0 0 0 0 62 C5 C_ALI 0 0.0000 0.1060 0.6290 1.0830 13 58 63 64 0 63 H5 H_ALI 0 0.0000 0.4090 1.2180 1.9480 62 0 0 0 0 64 C55 C_ALI 0 0.0000 1.3040 0.4350 0.1520 62 65 67 68 0 65 O57 O_HYD 0 0.0000 0.9060 -0.3380 -0.9820 64 66 0 0 0 66 H57 H_OXY 0 0.0000 0.2030 0.1570 -1.4250 65 0 0 0 0 67 H55 H_ALI 0 0.0000 2.0990 -0.0860 0.6860 64 0 0 0 0 68 C59 C_ALI 0 0.0000 1.8130 1.8000 -0.3150 64 69 70 72 0 69 H591 H_ALI 0 0.0000 2.0240 2.4250 0.5530 68 0 0 0 71 70 H592 H_ALI 0 0.0000 1.0530 2.2790 -0.9330 68 0 0 0 71 71 Q9 PSEUD 0 0.0000 1.5385 2.3520 -0.1900 0 0 0 0 0 72 C62 C_ALI 0 0.0000 3.0930 1.6150 -1.1330 68 73 78 79 0 73 C64 C_ALI 0 0.0000 3.5100 2.9560 -1.7380 72 74 75 76 0 74 H641 H_ALI 0 0.0000 4.3990 2.8170 -2.3530 73 0 0 0 77 75 H642 H_ALI 0 0.0000 2.6990 3.3450 -2.3540 73 0 0 0 77 76 H643 H_ALI 0 0.0000 3.7290 3.6630 -0.9380 73 0 0 0 77 77 Q10 PSEUD 0 0.0000 3.6090 3.2750 -1.8817 0 0 0 0 0 78 H62 H_ALI 0 0.0000 2.9120 0.8960 -1.9320 72 0 0 0 0 79 C68 C_BYL 0 0.0000 4.1920 1.1040 -0.2370 72 80 81 0 0 80 O69 O_BYL 0 0.0000 3.9730 0.9070 0.9400 79 0 0 0 0 81 N70 N_AMI 0 0.0000 5.4180 0.8650 -0.7430 79 82 83 0 0 82 H70 H_AMI 0 0.0000 5.5930 1.0220 -1.6850 81 0 0 0 0 83 C72 C_ALI 0 0.0000 6.4860 0.3690 0.1270 81 84 97 98 0 84 C74 C_ALI 0 0.0000 6.3930 -1.1550 0.2310 83 85 90 96 0 85 C76 C_ALI 0 0.0000 5.0350 -1.5440 0.8170 84 86 87 88 0 86 H761 H_ALI 0 0.0000 4.2400 -1.1750 0.1690 85 0 0 0 89 87 H762 H_ALI 0 0.0000 4.9680 -2.6300 0.8910 85 0 0 0 89 88 H763 H_ALI 0 0.0000 4.9280 -1.1050 1.8090 85 0 0 0 89 89 Q11 PSEUD 0 0.0000 4.7120 -1.6367 0.9563 0 0 0 0 0 90 C80 C_ALI 0 0.0000 6.5430 -1.7710 -1.1620 84 91 92 93 95 91 H801 H_ALI 0 0.0000 7.5100 -1.4930 -1.5800 90 0 0 0 94 92 H802 H_ALI 0 0.0000 6.4760 -2.8560 -1.0880 90 0 0 0 94 93 H803 H_ALI 0 0.0000 5.7480 -1.4010 -1.8100 90 0 0 0 94 94 Q12 PSEUD 0 0.0000 6.5780 -1.9167 -1.4927 0 0 0 0 0 95 QQB PSEUD 0 0.0000 4.5782 0.4212 -0.5810 0 0 0 0 95 96 H74 H_ALI 0 0.0000 7.1880 -1.5240 0.8790 84 0 0 0 0 97 H72 H_ALI 0 0.0000 6.3800 0.8080 1.1190 83 0 0 0 0 98 C84 C_BYL 0 0.0000 7.8240 0.7520 -0.4500 83 99 100 0 0 99 O85 O_BYL 0 0.0000 7.8800 1.3790 -1.4880 98 0 0 0 0 100 N86 N_AMI 0 0.0000 8.9590 0.3990 0.1850 98 101 102 0 0 101 H86 H_AMI 0 0.0000 8.9140 -0.1020 1.0150 100 0 0 0 0 102 C88 C_ALI 0 0.0000 10.2590 0.7720 -0.3760 100 103 104 106 0 103 H881 H_ALI 0 0.0000 10.3260 1.8570 -0.4500 102 0 0 0 105 104 H882 H_ALI 0 0.0000 10.3660 0.3330 -1.3690 102 0 0 0 105 105 Q13 PSEUD 0 0.0000 10.3460 1.0950 -0.9095 0 0 0 0 0 106 C91 C_ALI 0 0.0000 11.3750 0.2530 0.5330 102 107 108 110 0 107 H911 H_ALI 0 0.0000 11.3090 -0.8320 0.6070 106 0 0 0 109 108 H912 H_ALI 0 0.0000 11.2690 0.6920 1.5250 106 0 0 0 109 109 Q14 PSEUD 0 0.0000 11.2890 -0.0700 1.0660 0 0 0 0 0 110 C94 C_ALI 0 0.0000 12.7340 0.6430 -0.0540 106 111 112 114 0 111 H941 H_ALI 0 0.0000 12.8000 1.7280 -0.1270 110 0 0 0 113 112 H942 H_ALI 0 0.0000 12.8400 0.2040 -1.0460 110 0 0 0 113 113 Q15 PSEUD 0 0.0000 12.8200 0.9660 -0.5865 0 0 0 0 0 114 C97 C_ALI 0 0.0000 13.8490 0.1240 0.8560 110 115 116 117 0 115 H971 H_ALI 0 0.0000 14.8170 0.4010 0.4380 114 0 0 0 118 116 H972 H_ALI 0 0.0000 13.7430 0.5630 1.8480 114 0 0 0 118 117 H973 H_ALI 0 0.0000 13.7830 -0.9610 0.9290 114 0 0 0 118 118 Q16 PSEUD 0 0.0000 14.1143 0.0010 1.0717 0 0 0 0 0