REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATE" RESIDUE A712 17 83 1 83 1 CHI1 0 0 0.0000 6 1 2 3 5 2 CHI2 0 0 0.0000 2 1 6 7 10 3 CHI3 0 0 0.0000 2 1 11 12 28 4 CHI4 0 0 0.0000 1 11 12 13 23 5 PHI1 0 0 0.0000 2 1 29 31 0 6 PHI2 0 0 0.0000 1 29 31 32 0 7 PHI3 0 0 0.0000 29 31 32 82 0 8 CHI5 0 0 0.0000 31 32 33 34 80 9 CHI6 0 0 0.0000 34 35 36 37 60 10 CHI7 0 0 0.0000 35 36 37 38 59 11 CHI8 0 0 0.0000 36 37 38 39 58 12 CHI9 0 0 0.0000 37 38 39 40 50 13 CHI10 0 0 0.0000 37 38 53 54 57 14 CHI11 0 0 0.0000 62 63 66 67 79 15 CHI12 0 0 0.0000 63 66 67 68 74 16 CHI13 0 0 0.0000 66 67 68 69 72 17 CHI14 0 0 0.0000 63 66 75 76 79 1 C C_ALI 0 0.0000 4.0920 1.2430 0.3840 2 6 11 29 0 2 N N_AMO 0 0.0000 3.6860 0.4520 -0.7850 1 3 4 0 0 3 HN1 H_AMI 0 0.0000 3.4590 -0.4950 -0.5210 2 0 0 0 5 4 HN2 H_AMI 0 0.0000 2.9140 0.8880 -1.2670 2 0 0 0 5 5 Q1 PSEUD 0 0.0000 3.1865 0.1965 -0.8940 0 0 0 0 0 6 C3 C_ALI 0 0.0000 4.4280 2.6690 -0.0560 1 7 8 9 0 7 H31A H_ALI 0 0.0000 4.7290 3.2560 0.8120 6 0 0 0 10 8 H32 H_ALI 0 0.0000 5.2440 2.6440 -0.7780 6 0 0 0 10 9 H33 H_ALI 0 0.0000 3.5500 3.1240 -0.5160 6 0 0 0 10 10 Q2 PSEUD 0 0.0000 4.5077 3.0080 -0.1607 0 0 0 0 0 11 C4 C_ALI 0 0.0000 5.3240 0.6050 1.0290 1 12 26 27 0 12 C5 C_ARO 0 0.0000 6.4520 0.5690 0.0310 11 13 17 0 0 13 C6 C_ARO 0 0.0000 6.6030 -0.5220 -0.8030 12 14 16 0 0 14 C9 C_ARO 0 0.0000 7.6380 -0.5550 -1.7190 13 15 19 0 0 15 H9 H_ALI 0 0.0000 7.7560 -1.4080 -2.3700 14 0 0 0 24 16 H6 H_ALI 0 0.0000 5.9120 -1.3500 -0.7390 13 0 0 0 23 17 C10 C_ARO 0 0.0000 7.3330 1.6310 -0.0540 12 18 22 0 0 18 C8 C_ARO 0 0.0000 8.3680 1.5990 -0.9700 17 19 21 0 0 19 C7 C_ARO 0 0.0000 8.5220 0.5050 -1.8010 14 18 20 0 0 20 H7 H_ALI 0 0.0000 9.3310 0.4790 -2.5160 19 0 0 0 0 21 H8 H_ALI 0 0.0000 9.0590 2.4270 -1.0330 18 0 0 0 24 22 H10 H_ALI 0 0.0000 7.2120 2.4860 0.5940 17 0 0 0 23 23 Q8 PSEUD 0 0.0000 6.5620 0.5680 -0.0725 0 0 0 0 25 24 Q9 PSEUD 0 0.0000 8.4075 0.5095 -1.7015 0 0 0 0 25 25 QQA PSEUD 0 0.0000 7.4848 0.5388 -0.8870 0 0 0 0 0 26 H41 H_ALI 0 0.0000 5.6240 1.1920 1.8970 11 0 0 0 28 27 H42 H_ALI 0 0.0000 5.0840 -0.4110 1.3430 11 0 0 0 28 28 Q3 PSEUD 0 0.0000 5.3540 0.3905 1.6200 0 0 0 0 0 29 C1 C_BYL 0 0.0000 2.9630 1.2780 1.3820 1 30 31 0 0 30 O2 O_BYL 0 0.0000 3.2040 1.2790 2.5660 29 0 0 0 0 31 O O_EST 0 0.0000 1.6910 1.3090 0.9560 29 32 0 0 0 32 C33 C_ALI 0 0.0000 0.6550 1.3420 1.9740 31 33 81 82 0 33 C14 C_ARO 0 0.0000 -0.6980 1.3740 1.3120 32 34 62 0 0 34 C13 C_ARO 0 0.0000 -1.3470 0.1920 1.0170 33 35 61 0 0 35 C12 C_ARO 0 0.0000 -2.6010 0.2180 0.4040 34 36 64 0 0 36 C18 C_BYL 0 0.0000 -3.2980 -1.0460 0.0870 35 37 60 0 0 37 N19 N_AMO 0 0.0000 -2.7230 -2.2270 0.3890 36 38 59 0 0 38 C25 C_ALI 0 0.0000 -3.4140 -3.4800 0.0750 37 39 53 58 0 39 C26 C_ARO 0 0.0000 -2.4020 -4.5870 -0.0790 38 40 44 0 0 40 C27 C_ARO 0 0.0000 -1.3220 -4.6600 0.7810 39 41 43 0 0 41 C30 C_ARO 0 0.0000 -0.3940 -5.6730 0.6400 40 42 46 0 0 42 H30 H_ALI 0 0.0000 0.4510 -5.7300 1.3110 41 0 0 0 51 43 H27 H_ALI 0 0.0000 -1.2040 -3.9240 1.5620 40 0 0 0 50 44 C31 C_ARO 0 0.0000 -2.5580 -5.5310 -1.0770 39 45 49 0 0 45 C29 C_ARO 0 0.0000 -1.6320 -6.5460 -1.2190 44 46 48 0 0 46 C28 C_ARO 0 0.0000 -0.5460 -6.6160 -0.3620 41 45 47 0 0 47 F X_XXX 0 0.0000 0.3610 -7.6090 -0.5000 46 0 0 0 0 48 H29 H_ALI 0 0.0000 -1.7510 -7.2810 -2.0010 45 0 0 0 51 49 H31 H_ALI 0 0.0000 -3.4050 -5.4750 -1.7450 44 0 0 0 50 50 Q10 PSEUD 0 0.0000 -2.3045 -4.6995 -0.0915 0 0 0 0 52 51 Q11 PSEUD 0 0.0000 -0.6500 -6.5055 -0.3450 0 0 0 0 52 52 QQB PSEUD 0 0.0000 -1.4773 -5.6025 -0.2182 0 0 0 0 0 53 C32 C_ALI 0 0.0000 -4.3810 -3.8280 1.2090 38 54 55 56 0 54 H321 H_ALI 0 0.0000 -4.8950 -4.7600 0.9750 53 0 0 0 57 55 H322 H_ALI 0 0.0000 -3.8240 -3.9430 2.1390 53 0 0 0 57 56 H323 H_ALI 0 0.0000 -5.1120 -3.0270 1.3200 53 0 0 0 57 57 Q4 PSEUD 0 0.0000 -4.6103 -3.9100 1.4780 0 0 0 0 0 58 H25 H_ALI 0 0.0000 -3.9710 -3.3650 -0.8550 38 0 0 0 0 59 HN19 H_AMI 0 0.0000 -1.8520 -2.2470 0.8150 37 0 0 0 0 60 O20 O_BYL 0 0.0000 -4.3900 -1.0210 -0.4470 36 0 0 0 0 61 H13 H_ALI 0 0.0000 -0.8840 -0.7530 1.2600 34 0 0 0 0 62 C15 C_ARO 0 0.0000 -1.2860 2.5860 1.0030 33 63 80 0 0 63 C16 C_ARO 0 0.0000 -2.5340 2.6230 0.3930 62 64 66 0 0 64 C11 C_ARO 0 0.0000 -3.1940 1.4410 0.0920 35 63 65 0 0 65 H11 H_ALI 0 0.0000 -4.1620 1.4680 -0.3870 64 0 0 0 0 66 N17 N_AMO 0 0.0000 -3.1230 3.8510 0.0820 63 67 75 0 0 67 S S_XXX 0 0.0000 -4.2380 3.9500 -1.1400 66 68 73 74 0 68 C21 C_ALI 0 0.0000 -5.8300 3.6490 -0.3240 67 69 70 71 0 69 H211 H_ALI 0 0.0000 -5.9960 4.4080 0.4400 68 0 0 0 72 70 H212 H_ALI 0 0.0000 -6.6300 3.6950 -1.0630 68 0 0 0 72 71 H213 H_ALI 0 0.0000 -5.8200 2.6620 0.1390 68 0 0 0 72 72 Q5 PSEUD 0 0.0000 -6.1487 3.5883 -0.1613 0 0 0 0 0 73 O22 O_XXX 0 0.0000 -4.1520 5.2960 -1.5850 67 0 0 0 0 74 O23 O_XXX 0 0.0000 -3.9070 2.8700 -2.0030 67 0 0 0 0 75 C24 C_ALI 0 0.0000 -2.7560 5.0520 0.8360 66 76 77 78 0 76 H241 H_ALI 0 0.0000 -1.9110 5.5420 0.3510 75 0 0 0 79 77 H242 H_ALI 0 0.0000 -3.6040 5.7360 0.8660 75 0 0 0 79 78 H243 H_ALI 0 0.0000 -2.4790 4.7720 1.8520 75 0 0 0 79 79 Q6 PSEUD 0 0.0000 -2.6647 5.3500 1.0230 0 0 0 0 0 80 H15 H_ALI 0 0.0000 -0.7730 3.5080 1.2370 62 0 0 0 0 81 H331 H_ALI 0 0.0000 0.7330 0.4540 2.6000 32 0 0 0 83 82 H332 H_ALI 0 0.0000 0.7800 2.2330 2.5890 32 0 0 0 83 83 Q7 PSEUD 0 0.0000 0.7565 1.3435 2.5945 0 0 0 0 0