REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "(5R,9S,12S,15S,18S,21S)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9H-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid" RESIDUE MRT 37 165 1 165 1 CHI1 0 0 0.0000 1 2 3 4 35 2 CHI2 0 0 0.0000 2 3 4 5 35 3 CHI3 0 0 0.0000 3 4 5 6 32 4 CHI4 0 0 0.0000 2 36 37 38 41 5 CHI5 0 0 0.0000 36 42 43 44 54 6 PHI1 0 0 0.0000 42 58 60 64 0 7 PHI2 0 0 0.0000 60 64 66 85 0 8 CHI6 0 0 0.0000 64 66 67 68 83 9 CHI7 0 0 0.0000 66 67 68 69 80 10 CHI8 0 0 0.0000 67 68 69 70 73 11 PHI3 0 0 0.0000 64 66 85 87 0 12 PHI4 0 0 0.0000 66 85 87 89 0 13 CHI9 0 0 0.0000 90 91 92 93 93 14 PHI5 0 0 0.0000 87 89 99 101 0 15 PHI6 0 0 0.0000 99 101 103 127 0 16 CHI10 0 0 0.0000 101 103 104 105 125 17 CHI11 0 0 0.0000 103 104 105 106 112 18 CHI12 0 0 0.0000 104 105 106 107 109 19 CHI13 0 0 0.0000 103 104 113 114 124 20 CHI14 0 0 0.0000 104 113 114 115 121 21 CHI15 0 0 0.0000 113 114 115 116 118 22 PHI7 0 0 0.0000 101 103 127 129 0 23 PHI8 0 0 0.0000 103 127 129 131 0 24 PHI9 0 0 0.0000 127 129 131 141 0 25 CHI16 0 0 0.0000 129 131 132 133 139 26 CHI17 0 0 0.0000 131 132 133 134 136 27 CHI18 0 0 0.0000 132 133 134 135 135 28 PHI10 0 0 0.0000 129 131 141 143 0 29 PHI11 0 0 0.0000 131 141 143 145 0 30 PHI12 0 0 0.0000 141 143 145 151 0 31 CHI19 0 0 0.0000 143 145 146 147 149 32 CHI20 0 0 0.0000 145 146 148 149 149 33 PHI13 0 0 0.0000 143 145 151 155 0 34 PHI14 0 0 0.0000 145 151 155 164 0 35 CHI21 0 0 0.0000 155 156 157 158 162 36 CHI22 0 0 0.0000 157 158 159 160 160 37 PHI15 0 0 0.0000 151 155 164 165 0 1 O1 O_BYL 0 0.0000 -8.6930 0.9610 0.8600 2 0 0 0 0 2 C17 C_BYL 0 0.0000 -8.4890 0.4510 -0.2240 1 3 36 0 0 3 O2 O_EST 0 0.0000 -9.2830 -0.5450 -0.6600 2 4 0 0 0 4 C3 C_ALI 0 0.0000 -10.3630 -0.9590 0.2180 3 5 33 34 0 5 C4 C_ALI 0 0.0000 -11.1510 -2.0930 -0.4430 4 6 19 32 0 6 C5 C_ARO 0 0.0000 -12.3500 -2.4520 0.4000 5 7 11 0 0 7 C6 C_ARO 0 0.0000 -13.4490 -1.7240 0.8040 6 8 10 0 0 8 C7 C_ARO 0 0.0000 -14.4200 -2.3160 1.5920 7 9 13 0 0 9 H7 H_ALI 0 0.0000 -15.2810 -1.7440 1.9080 8 0 0 0 17 10 H6 H_ALI 0 0.0000 -13.5510 -0.6910 0.5060 7 0 0 0 16 11 C15 C_ARO 0 0.0000 -12.2110 -3.7840 0.7810 6 12 24 0 0 12 C16 C_ARO 0 0.0000 -13.1950 -4.3740 1.5750 11 13 15 0 0 13 C8 C_ARO 0 0.0000 -14.2920 -3.6380 1.9750 8 12 14 0 0 14 H8 H_ALI 0 0.0000 -15.0520 -4.0970 2.5900 13 0 0 0 0 15 H16 H_ALI 0 0.0000 -13.0980 -5.4070 1.8780 12 0 0 0 17 16 Q17 PSEUD 0 0.0000 -13.5510 -0.6910 0.5060 0 0 0 0 18 17 Q18 PSEUD 0 0.0000 -14.1895 -3.5755 1.8930 0 0 0 0 18 18 QQC PSEUD 0 0.0000 -13.8702 -2.1332 1.1995 0 0 0 0 0 19 C9 C_ARO 0 0.0000 -10.3040 -3.3390 -0.5160 5 20 24 0 0 20 C10 C_ARO 0 0.0000 -9.1040 -3.6090 -1.1400 19 21 23 0 0 21 C11 C_ARO 0 0.0000 -8.5380 -4.8680 -1.0390 20 22 26 0 0 22 H11 H_ALI 0 0.0000 -7.5990 -5.0770 -1.5290 21 0 0 0 30 23 H10 H_ALI 0 0.0000 -8.6060 -2.8360 -1.7070 20 0 0 0 29 24 C14 C_ARO 0 0.0000 -10.9520 -4.3300 0.2170 11 19 25 0 0 25 C13 C_ARO 0 0.0000 -10.3760 -5.5980 0.3130 24 26 28 0 0 26 C12 C_ARO 0 0.0000 -9.1750 -5.8580 -0.3140 21 25 27 0 0 27 H12 H_ALI 0 0.0000 -8.7300 -6.8400 -0.2390 26 0 0 0 0 28 H13 H_ALI 0 0.0000 -10.8690 -6.3740 0.8790 25 0 0 0 30 29 Q19 PSEUD 0 0.0000 -8.6060 -2.8360 -1.7070 0 0 0 0 31 30 Q20 PSEUD 0 0.0000 -9.2340 -5.7255 -0.3250 0 0 0 0 31 31 QQD PSEUD 0 0.0000 -8.9200 -4.2808 -1.0160 0 0 0 0 0 32 H4 H_ALI 0 0.0000 -11.4690 -1.7950 -1.4420 5 0 0 0 0 33 H3 H_ALI 0 0.0000 -9.9500 -1.3070 1.1640 4 0 0 0 35 34 H3A H_ALI 0 0.0000 -11.0270 -0.1140 0.4000 4 0 0 0 35 35 Q1 PSEUD 0 0.0000 -10.4885 -0.7105 0.7820 0 0 0 0 0 36 N28 N_AMI 0 0.0000 -7.4670 0.8830 -0.9900 2 37 42 0 0 37 C29 C_ALI 0 0.0000 -7.2210 0.2680 -2.2970 36 38 39 40 0 38 H29 H_ALI 0 0.0000 -7.8250 0.7700 -3.0530 37 0 0 0 41 39 H29A H_ALI 0 0.0000 -6.1660 0.3660 -2.5510 37 0 0 0 41 40 H29B H_ALI 0 0.0000 -7.4900 -0.7870 -2.2580 37 0 0 0 41 41 Q2 PSEUD 0 0.0000 -7.1603 0.1163 -2.6207 0 0 0 0 0 42 C21 C_ALI 0 0.0000 -6.6030 1.9670 -0.5150 36 43 57 58 0 43 C22 C_ARO 0 0.0000 -6.6830 3.1280 -1.4720 42 44 48 0 0 44 C23 C_ARO 0 0.0000 -6.4020 2.9400 -2.8130 43 45 47 0 0 45 C24 C_ARO 0 0.0000 -6.4750 4.0050 -3.6910 44 46 50 0 0 46 H24 H_ALI 0 0.0000 -6.2540 3.8580 -4.7370 45 0 0 0 55 47 H23 H_ALI 0 0.0000 -6.1240 1.9610 -3.1740 44 0 0 0 54 48 C27 C_ARO 0 0.0000 -7.0430 4.3800 -1.0110 43 49 53 0 0 49 C26 C_ARO 0 0.0000 -7.1120 5.4470 -1.8880 48 50 52 0 0 50 C25 C_ARO 0 0.0000 -6.8300 5.2590 -3.2280 45 49 51 0 0 51 H25 H_ALI 0 0.0000 -6.8860 6.0910 -3.9140 50 0 0 0 0 52 H26 H_ALI 0 0.0000 -7.3890 6.4260 -1.5270 49 0 0 0 55 53 H27 H_ALI 0 0.0000 -7.2680 4.5270 0.0350 48 0 0 0 54 54 Q15 PSEUD 0 0.0000 -6.6960 3.2440 -1.5695 0 0 0 0 56 55 Q16 PSEUD 0 0.0000 -6.8215 5.1420 -3.1320 0 0 0 0 56 56 QQB PSEUD 0 0.0000 -6.7587 4.1930 -2.3507 0 0 0 0 0 57 H21 H_ALI 0 0.0000 -6.9320 2.2870 0.4730 42 0 0 0 0 58 C19 C_BYL 0 0.0000 -5.1800 1.4770 -0.4370 42 59 60 0 0 59 O20 O_BYL 0 0.0000 -4.8420 0.5010 -1.0630 58 0 0 0 0 60 C18 C_ALI 0 0.0000 -4.1790 2.2050 0.4220 58 61 62 64 0 61 H18 H_ALI 0 0.0000 -4.0850 3.2350 0.0770 60 0 0 0 63 62 H18A H_ALI 0 0.0000 -4.5170 2.1990 1.4590 60 0 0 0 63 63 Q3 PSEUD 0 0.0000 -4.3010 2.7170 0.7680 0 0 0 0 0 64 N37 N_AMI 0 0.0000 -2.8750 1.5360 0.3290 60 65 66 0 0 65 HN37 H_AMI 0 0.0000 -2.9310 0.5860 0.6630 64 0 0 0 0 66 C32 C_ALI 0 0.0000 -1.8440 2.2890 1.0550 64 67 84 85 0 67 C33 C_ALI 0 0.0000 -1.8160 1.8370 2.5160 66 68 81 82 0 68 C34 C_ALI 0 0.0000 -0.7660 2.6450 3.2810 67 69 74 80 0 69 C35 C_ALI 0 0.0000 -1.1940 4.1130 3.3390 68 70 71 72 0 70 H35 H_ALI 0 0.0000 -0.4130 4.7000 3.8220 69 0 0 0 73 71 H35A H_ALI 0 0.0000 -1.3550 4.4850 2.3270 69 0 0 0 73 72 H35B H_ALI 0 0.0000 -2.1190 4.1990 3.9090 69 0 0 0 73 73 Q4 PSEUD 0 0.0000 -1.2957 4.4613 3.3527 0 0 0 0 79 74 C36 C_ALI 0 0.0000 -0.6340 2.0950 4.7020 68 75 76 77 0 75 H36 H_ALI 0 0.0000 -0.3290 1.0500 4.6610 74 0 0 0 78 76 H36A H_ALI 0 0.0000 0.1150 2.6710 5.2470 74 0 0 0 78 77 H36B H_ALI 0 0.0000 -1.5940 2.1740 5.2120 74 0 0 0 78 78 Q5 PSEUD 0 0.0000 -0.6027 1.9650 5.0400 0 0 0 0 79 79 QQA PSEUD 0 0.0000 -0.9492 3.2132 4.1963 0 0 0 0 0 80 H34 H_ALI 0 0.0000 0.1940 2.5670 2.7700 68 0 0 0 0 81 H33 H_ALI 0 0.0000 -2.7960 1.9990 2.9650 67 0 0 0 83 82 H33A H_ALI 0 0.0000 -1.5660 0.7780 2.5650 67 0 0 0 83 83 Q6 PSEUD 0 0.0000 -2.1810 1.3885 2.7650 0 0 0 0 0 84 H32 H_ALI 0 0.0000 -2.0700 3.3540 1.0080 66 0 0 0 0 85 C31 C_BYL 0 0.0000 -0.4980 2.0340 0.4250 66 86 87 0 0 86 O30 O_BYL 0 0.0000 -0.3410 1.0760 -0.3020 85 0 0 0 0 87 N38 N_AMI 0 0.0000 0.5300 2.8700 0.6700 85 88 89 0 0 88 HN38 H_AMI 0 0.0000 0.4260 3.5910 1.3100 87 0 0 0 0 89 C39 C_ALI 0 0.0000 1.8040 2.6890 -0.0300 87 90 98 99 0 90 C40 C_ALI 0 0.0000 2.5780 4.0090 -0.0300 89 91 95 96 0 91 C41 C_BYL 0 0.0000 1.8190 5.0360 -0.8290 90 92 94 0 0 92 O42 O_HYD 0 0.0000 2.3540 6.2480 -1.0440 91 93 0 0 0 93 HO42 H_OXY 0 0.0000 1.8290 6.8740 -1.5620 92 0 0 0 0 94 O43 O_BYL 0 0.0000 0.7280 4.7690 -1.2750 91 0 0 0 0 95 H40 H_ALI 0 0.0000 2.6960 4.3600 0.9950 90 0 0 0 97 96 H40A H_ALI 0 0.0000 3.5600 3.8540 -0.4770 90 0 0 0 97 97 Q7 PSEUD 0 0.0000 3.1280 4.1070 0.2590 0 0 0 0 0 98 H39 H_ALI 0 0.0000 1.6130 2.3800 -1.0580 89 0 0 0 0 99 C44 C_BYL 0 0.0000 2.6160 1.6300 0.6700 89 100 101 0 0 100 O45 O_BYL 0 0.0000 2.1740 1.0810 1.6570 99 0 0 0 0 101 N46 N_AMI 0 0.0000 3.8330 1.2940 0.1990 99 102 103 0 0 102 HN46 H_AMI 0 0.0000 4.1870 1.7330 -0.5900 101 0 0 0 0 103 C47 C_ALI 0 0.0000 4.6230 0.2640 0.8800 101 104 126 127 0 104 C48 C_ALI 0 0.0000 4.2070 -1.1170 0.3710 103 105 113 125 0 105 C49 C_ALI 0 0.0000 2.7580 -1.3950 0.7780 104 106 110 111 0 106 C50 C_ALI 0 0.0000 2.3410 -2.7770 0.2690 105 107 108 115 0 107 H50 H_ALI 0 0.0000 2.9920 -3.5350 0.7040 106 0 0 0 109 108 H50A H_ALI 0 0.0000 1.3090 -2.9740 0.5590 106 0 0 0 109 109 Q8 PSEUD 0 0.0000 2.1505 -3.2545 0.6315 0 0 0 0 0 110 H49 H_ALI 0 0.0000 2.6740 -1.3670 1.8640 105 0 0 0 112 111 H49A H_ALI 0 0.0000 2.1070 -0.6360 0.3430 105 0 0 0 112 112 Q9 PSEUD 0 0.0000 2.3905 -1.0015 1.1035 0 0 0 0 0 113 C53 C_ALI 0 0.0000 4.3250 -1.1560 -1.1540 104 114 122 123 0 114 C52 C_ALI 0 0.0000 3.9080 -2.5380 -1.6620 113 115 119 120 0 115 C51 C_ALI 0 0.0000 2.4600 -2.8160 -1.2550 106 114 116 117 0 116 H51 H_ALI 0 0.0000 2.1630 -3.8000 -1.6180 115 0 0 0 118 117 H51A H_ALI 0 0.0000 1.8080 -2.0570 -1.6900 115 0 0 0 118 118 Q10 PSEUD 0 0.0000 1.9855 -2.9285 -1.6540 0 0 0 0 0 119 H52 H_ALI 0 0.0000 4.5590 -3.2970 -1.2280 114 0 0 0 121 120 H52A H_ALI 0 0.0000 3.9920 -2.5660 -2.7490 114 0 0 0 121 121 Q11 PSEUD 0 0.0000 4.2755 -2.9315 -1.9885 0 0 0 0 0 122 H53 H_ALI 0 0.0000 3.6740 -0.3980 -1.5880 113 0 0 0 124 123 H53A H_ALI 0 0.0000 5.3570 -0.9590 -1.4430 113 0 0 0 124 124 Q12 PSEUD 0 0.0000 4.5155 -0.6785 -1.5155 0 0 0 0 0 125 H48 H_ALI 0 0.0000 4.8580 -1.8760 0.8060 104 0 0 0 0 126 H47 H_ALI 0 0.0000 4.4490 0.3240 1.9540 103 0 0 0 0 127 C54 C_BYL 0 0.0000 6.0870 0.4840 0.5950 103 128 129 0 0 128 O55 O_BYL 0 0.0000 6.4270 1.2890 -0.2450 127 0 0 0 0 129 N56 N_AMI 0 0.0000 7.0170 -0.2140 1.2750 127 130 131 0 0 130 HN56 H_AMI 0 0.0000 6.7500 -0.7990 2.0020 129 0 0 0 0 131 C57 C_ALI 0 0.0000 8.4330 -0.0900 0.9180 129 132 140 141 0 132 C58 C_ALI 0 0.0000 9.1850 0.6110 2.0500 131 133 137 138 0 133 C59 C_BYL 0 0.0000 8.6800 2.0240 2.1900 132 134 136 0 0 134 O60 O_HYD 0 0.0000 9.1160 2.7960 3.1970 133 135 0 0 0 135 HO60 H_OXY 0 0.0000 8.7640 3.6950 3.2460 134 0 0 0 0 136 O61 O_BYL 0 0.0000 7.8830 2.4620 1.3950 133 0 0 0 0 137 H58 H_ALI 0 0.0000 9.0210 0.0730 2.9830 132 0 0 0 139 138 H58A H_ALI 0 0.0000 10.2510 0.6270 1.8220 132 0 0 0 139 139 Q13 PSEUD 0 0.0000 9.6360 0.3500 2.4025 0 0 0 0 0 140 H57 H_ALI 0 0.0000 8.5260 0.4950 0.0020 131 0 0 0 0 141 C62 C_BYL 0 0.0000 9.0180 -1.4620 0.6990 131 142 143 0 0 142 O63 O_BYL 0 0.0000 8.3210 -2.4460 0.8290 141 0 0 0 0 143 N64 N_AMI 0 0.0000 10.3150 -1.5940 0.3590 141 144 145 0 0 144 HN64 H_AMI 0 0.0000 10.8720 -0.8070 0.2540 143 0 0 0 0 145 C65 C_ALI 0 0.0000 10.8840 -2.9270 0.1460 143 146 150 151 0 146 C66 C_BYL 0 0.0000 11.3210 -3.5030 1.4680 145 147 148 0 0 147 O67 O_BYL 0 0.0000 11.1730 -2.8660 2.4840 146 0 0 0 0 148 O68 O_HYD 0 0.0000 11.8760 -4.7250 1.5180 146 149 0 0 0 149 HO68 H_OXY 0 0.0000 12.1400 -5.0520 2.3880 148 0 0 0 0 150 H65 H_ALI 0 0.0000 10.1310 -3.5760 -0.3020 145 0 0 0 0 151 C69 C_ALI 0 0.0000 12.0900 -2.8240 -0.7890 145 152 153 155 0 152 H69 H_ALI 0 0.0000 12.8040 -2.1070 -0.3840 151 0 0 0 154 153 H69A H_ALI 0 0.0000 12.5670 -3.8000 -0.8770 151 0 0 0 154 154 Q14 PSEUD 0 0.0000 12.6855 -2.9535 -0.6305 0 0 0 0 0 155 C70 C_ARO 0 0.0000 11.6330 -2.3640 -2.1500 151 156 164 0 0 156 C71 C_ARO 0 0.0000 11.5830 -1.0140 -2.4420 155 157 163 0 0 157 C72 C_ARO 0 0.0000 11.1630 -0.5920 -3.6900 156 158 162 0 0 158 C73 C_ARO 0 0.0000 10.7950 -1.5210 -4.6460 157 159 161 0 0 159 C74 C_ARO 0 0.0000 10.8460 -2.8710 -4.3530 158 160 164 0 0 160 H74 H_ALI 0 0.0000 10.5570 -3.5960 -5.1000 159 0 0 0 0 161 H73 H_ALI 0 0.0000 10.4670 -1.1910 -5.6200 158 0 0 0 0 162 H72 H_ALI 0 0.0000 11.1240 0.4630 -3.9180 157 0 0 0 0 163 H71 H_ALI 0 0.0000 11.8710 -0.2890 -1.6960 156 0 0 0 0 164 C75 C_ARO 0 0.0000 11.2690 -3.2930 -3.1070 155 159 165 0 0 165 H75 H_ALI 0 0.0000 11.3130 -4.3480 -2.8800 164 0 0 0 0