@MOLECULE 7jv1.D 550 560 33 0 0 BIOPOLYMER USER_CHARGES @ATOM 1 N -8.3080 63.0860 -31.6390 N.4 1 SER600 1.0000 BACKBONE 2 H1 -8.8249 63.5773 -30.9238 H 1 SER600 0.0000 BACKBONE 3 H2 -8.5794 62.1131 -31.6423 H 1 SER600 0.0000 BACKBONE 4 H3 -8.5091 63.4946 -32.5405 H 1 SER600 0.0000 BACKBONE 5 CA -6.8830 63.1910 -31.3660 C.3 1 SER600 0.0000 BACKBONE 6 HA -6.7036 62.7293 -30.3951 H 1 SER600 0.0000 BACKBONE 7 C -6.4210 64.6430 -31.2790 C.2 1 SER600 0.0000 BACKBONE 8 O -6.5250 65.3990 -32.2450 O.2 1 SER600 0.0000 BACKBONE 9 CB -6.0830 62.4520 -32.4400 C.3 1 SER600 0.0000 10 HB2 -6.3321 61.3915 -32.4028 H 1 SER600 0.0000 11 HB3 -5.0187 62.5823 -32.2439 H 1 SER600 0.0000 12 OG -6.3800 62.9520 -33.7320 O.3 1 SER600 0.0000 13 HG -7.3199 62.8271 -33.8826 H 1 SER600 0.0000 14 N -5.9090 65.0220 -30.1100 N.am 2 VAL601 0.0000 BACKBONE 15 H -5.9539 64.3760 -29.3349 H 2 VAL601 0.0000 BACKBONE 16 CA -5.2870 66.3220 -29.8920 C.3 2 VAL601 0.0000 BACKBONE 17 HA -5.2280 66.8647 -30.8354 H 2 VAL601 0.0000 BACKBONE 18 C -3.8970 66.0630 -29.3290 C.2 2 VAL601 0.0000 BACKBONE 19 O -3.6980 65.1300 -28.5430 O.2 2 VAL601 0.0000 BACKBONE 20 CB -6.1200 67.2320 -28.9570 C.3 2 VAL601 0.0000 21 HB -7.1420 67.2450 -29.3357 H 2 VAL601 0.0000 22 CG1 -6.1600 66.6900 -27.5370 C.3 2 VAL601 0.0000 23 HG11 -5.1495 66.6646 -27.1292 H 2 VAL601 0.0000 24 HG12 -6.5743 65.6818 -27.5444 H 2 VAL601 0.0000 25 HG13 -6.7849 67.3350 -26.9194 H 2 VAL601 0.0000 26 CG2 -5.5730 68.6540 -28.9680 C.3 2 VAL601 0.0000 27 HG21 -4.5503 68.6528 -28.5908 H 2 VAL601 0.0000 28 HG22 -6.1935 69.2869 -28.3336 H 2 VAL601 0.0000 29 HG23 -5.5838 69.0396 -29.9875 H 2 VAL601 0.0000 30 N -2.9310 66.8640 -29.7550 N.am 3 TYR602 0.0000 BACKBONE 31 H -3.1705 67.6507 -30.3414 H 3 TYR602 0.0000 BACKBONE 32 CA -1.5360 66.6450 -29.4040 C.3 3 TYR602 0.0000 BACKBONE 33 HA -1.4574 65.7713 -28.7571 H 3 TYR602 0.0000 BACKBONE 34 C -0.9960 67.8450 -28.6340 C.2 3 TYR602 0.0000 BACKBONE 35 O -1.6840 68.8490 -28.4370 O.2 3 TYR602 0.0000 BACKBONE 36 CB -0.7150 66.3690 -30.6660 C.3 3 TYR602 0.0000 37 HB2 0.1734 65.8020 -30.3878 H 3 TYR602 0.0000 38 HB3 -0.4158 67.3215 -31.1034 H 3 TYR602 0.0000 39 CG -1.4890 65.5810 -31.7020 C.ar 3 TYR602 0.0000 40 CD1 -1.5270 64.1930 -31.6600 C.ar 3 TYR602 0.0000 41 HD1 -0.9893 63.6707 -30.8825 H 3 TYR602 0.0000 42 CD2 -2.1940 66.2270 -32.7130 C.ar 3 TYR602 0.0000 43 HD2 -2.1815 67.3058 -32.7633 H 3 TYR602 0.0000 44 CE1 -2.2410 63.4690 -32.5960 C.ar 3 TYR602 0.0000 45 HE1 -2.2602 62.3902 -32.5487 H 3 TYR602 0.0000 46 CE2 -2.9100 65.5110 -33.6540 C.ar 3 TYR602 0.0000 47 HE2 -3.4510 66.0270 -34.4334 H 3 TYR602 0.0000 48 CZ -2.9290 64.1320 -33.5910 C.ar 3 TYR602 0.0000 49 OH -3.6400 63.4160 -34.5260 O.3 3 TYR602 0.0000 50 HH -4.0928 63.9470 -35.1853 H 3 TYR602 0.0000 51 N 0.2580 67.7280 -28.1950 N.am 4 LEU603 0.0000 BACKBONE 52 H 0.8002 66.9145 -28.4488 H 4 LEU603 0.0000 BACKBONE 53 CA 0.8570 68.7560 -27.3550 C.3 4 LEU603 0.0000 BACKBONE 54 HA 0.0988 69.0507 -26.6295 H 4 LEU603 0.0000 BACKBONE 55 C 1.2300 70.0190 -28.1170 C.2 4 LEU603 0.0000 BACKBONE 56 O 1.5070 71.0400 -27.4790 O.2 4 LEU603 0.0000 BACKBONE 57 CB 2.0810 68.1890 -26.6360 C.3 4 LEU603 0.0000 58 HB2 2.6301 69.0096 -26.1744 H 4 LEU603 0.0000 59 HB3 2.7188 67.6902 -27.3658 H 4 LEU603 0.0000 60 CG 1.6900 67.1830 -25.5510 C.3 4 LEU603 0.0000 61 HG 0.8582 66.5859 -25.9247 H 4 LEU603 0.0000 62 CD1 2.8220 66.2280 -25.2390 C.3 4 LEU603 0.0000 63 HD11 3.6767 66.7889 -24.8608 H 4 LEU603 0.0000 64 HD12 3.1090 65.6961 -26.1461 H 4 LEU603 0.0000 65 HD13 2.4955 65.5113 -24.4854 H 4 LEU603 0.0000 66 CD2 1.2520 67.9250 -24.2960 C.3 4 LEU603 0.0000 67 HD21 2.0817 68.5233 -23.9195 H 4 LEU603 0.0000 68 HD22 0.9486 67.2053 -23.5357 H 4 LEU603 0.0000 69 HD23 0.4121 68.5776 -24.5342 H 4 LEU603 0.0000 70 N 1.2450 69.9890 -29.4480 N.am 5 GLN604 0.0000 BACKBONE 71 H 0.9852 69.1469 -29.9414 H 5 GLN604 0.0000 BACKBONE 72 CA 1.6390 71.1800 -30.1860 C.3 5 GLN604 0.0000 BACKBONE 73 HA 2.3891 71.6886 -29.5804 H 5 GLN604 0.0000 BACKBONE 74 C 0.4850 72.1530 -30.3920 C.2 5 GLN604 0.0000 BACKBONE 75 O 0.6730 73.1770 -31.0570 O.2 5 GLN604 0.0000 BACKBONE 76 CB 2.2420 70.7950 -31.5430 C.3 5 GLN604 0.0000 77 HB2 2.5692 71.7092 -32.0382 H 5 GLN604 0.0000 78 HB3 1.4609 70.3199 -32.1365 H 5 GLN604 0.0000 79 CG 3.4360 69.8380 -31.4780 C.3 5 GLN604 0.0000 80 HG2 4.0769 70.1432 -30.6509 H 5 GLN604 0.0000 81 HG3 3.9895 69.9144 -32.4139 H 5 GLN604 0.0000 82 CD 3.0440 68.3850 -31.2700 C.2 5 GLN604 0.0000 83 OE1 2.0580 68.0810 -30.5980 O.2 5 GLN604 0.0000 84 NE2 3.8250 67.4770 -31.8440 N.am 5 GLN604 0.0000 85 HE21 3.6193 66.4939 -31.7372 H 5 GLN604 0.0000 86 HE22 4.6246 67.7695 -32.3873 H 5 GLN604 0.0000 87 N -0.6970 71.8600 -29.8510 N.am 6 GLU605 0.0000 BACKBONE 88 H -0.7973 70.9963 -29.3371 H 6 GLU605 0.0000 BACKBONE 89 CA -1.8480 72.7410 -29.9750 C.3 6 GLU605 0.0000 BACKBONE 90 HA -1.6424 73.4151 -30.8065 H 6 GLU605 0.0000 BACKBONE 91 C -2.0680 73.5920 -28.7320 C.2 6 GLU605 0.0000 BACKBONE 92 O -3.1160 74.2340 -28.6130 O.2 6 GLU605 0.0000 BACKBONE 93 CB -3.1100 71.9210 -30.2560 C.3 6 GLU605 0.0000 94 HB2 -3.9368 72.6142 -30.4107 H 6 GLU605 0.0000 95 HB3 -3.3134 71.3022 -29.3820 H 6 GLU605 0.0000 96 CG -3.0240 71.0100 -31.4700 C.3 6 GLU605 0.0000 97 HG2 -2.3425 70.1898 -31.2443 H 6 GLU605 0.0000 98 HG3 -2.6357 71.5840 -32.3113 H 6 GLU605 0.0000 99 CD -4.3740 70.4300 -31.8570 C.2 6 GLU605 0.0000 100 OE1 -5.4000 70.9140 -31.3340 O.co2 6 GLU605 -0.5000 101 OE2 -4.4090 69.4850 -32.6740 O.co2 6 GLU605 -0.5000 102 N -1.1170 73.6110 -27.8030 N.am 7 TRP606 0.0000 BACKBONE 103 H -0.1961 73.2608 -28.0253 H 7 TRP606 0.0000 BACKBONE 104 CA -1.3850 74.1290 -26.4720 C.3 7 TRP606 0.0000 BACKBONE 105 HA -2.4612 74.2758 -26.3812 H 7 TRP606 0.0000 BACKBONE 106 C -0.7010 75.4720 -26.2650 C.2 7 TRP606 0.0000 BACKBONE 107 O 0.3120 75.7770 -26.9020 O.2 7 TRP606 0.0000 BACKBONE 108 CB -0.9470 73.1320 -25.3980 C.3 7 TRP606 0.0000 109 HB2 -1.0603 73.5890 -24.4150 H 7 TRP606 0.0000 110 HB3 0.0983 72.8675 -25.5573 H 7 TRP606 0.0000 111 CG -1.7810 71.9020 -25.4670 C.2 7 TRP606 0.0000 112 CD1 -1.3770 70.6640 -25.8640 C.2 7 TRP606 0.0000 113 HD1 -0.3660 70.4042 -26.1410 H 7 TRP606 0.0000 114 CD2 -3.1980 71.8200 -25.2860 C.ar 7 TRP606 0.0000 115 NE1 -2.4380 69.7930 -25.8620 N.pl3 7 TRP606 0.0000 116 HE1 -2.3911 68.8075 -26.0783 H 7 TRP606 0.0000 117 CE2 -3.5710 70.4820 -25.5180 C.ar 7 TRP606 0.0000 118 CE3 -4.1820 72.7410 -24.9150 C.ar 7 TRP606 0.0000 119 HE3 -3.9277 73.7740 -24.7286 H 7 TRP606 0.0000 120 CZ2 -4.8850 70.0430 -25.3930 C.ar 7 TRP606 0.0000 121 HZ2 -5.1532 69.0123 -25.5723 H 7 TRP606 0.0000 122 CZ3 -5.4830 72.3040 -24.7920 C.ar 7 TRP606 0.0000 123 HZ3 -6.2534 73.0039 -24.5038 H 7 TRP606 0.0000 124 CH2 -5.8220 70.9700 -25.0340 C.ar 7 TRP606 0.0000 125 HH2 -6.8528 70.6636 -24.9345 H 7 TRP606 0.0000 126 N -1.2840 76.2810 -25.3770 N.am 8 ASP607 0.0000 BACKBONE 127 H -2.1571 76.0036 -24.9517 H 8 ASP607 0.0000 BACKBONE 128 CA -0.6820 77.5590 -25.0100 C.3 8 ASP607 0.0000 BACKBONE 129 HA -0.6872 78.2023 -25.8899 H 8 ASP607 0.0000 BACKBONE 130 C 0.7680 77.3890 -24.5710 C.2 8 ASP607 0.0000 BACKBONE 131 O 1.6560 78.1270 -25.0110 O.2 8 ASP607 0.0000 BACKBONE 132 CB -1.4990 78.2120 -23.8940 C.3 8 ASP607 0.0000 133 HB2 -0.9974 79.1290 -23.5849 H 8 ASP607 0.0000 134 HB3 -1.5502 77.5238 -23.0503 H 8 ASP607 0.0000 135 CG -2.9090 78.5530 -24.3280 C.2 8 ASP607 0.0000 136 OD1 -3.1850 79.7420 -24.5910 O.co2 8 ASP607 -0.5000 137 OD2 -3.7460 77.6310 -24.4070 O.co2 8 ASP607 -0.5000 138 N 1.0210 76.4210 -23.6950 N.am 9 ILE608 0.0000 BACKBONE 139 H 0.2653 75.8127 -23.4139 H 9 ILE608 0.0000 BACKBONE 140 CA 2.3480 76.2010 -23.1220 C.3 9 ILE608 0.0000 BACKBONE 141 HA 2.7439 77.1736 -22.8297 H 9 ILE608 0.0000 BACKBONE 142 C 3.3030 75.6010 -24.1480 C.2 9 ILE608 0.0000 BACKBONE 143 O 3.0080 74.5500 -24.7370 O.2 9 ILE608 0.0000 BACKBONE 144 CB 2.2720 75.3250 -21.8590 C.3 9 ILE608 0.0000 145 HB 1.8416 74.3665 -22.1490 H 9 ILE608 0.0000 146 CG1 1.3890 75.9810 -20.7930 C.3 9 ILE608 0.0000 147 HG12 1.5001 77.0616 -20.8829 H 9 ILE608 0.0000 148 HG13 1.7472 75.6591 -19.8152 H 9 ILE608 0.0000 149 CG2 3.6510 75.1150 -21.2780 C.3 9 ILE608 0.0000 150 HG21 4.0746 76.0773 -20.9906 H 9 ILE608 0.0000 151 HG22 4.2916 74.6442 -22.0237 H 9 ILE608 0.0000 152 HG23 3.5816 74.4720 -20.4006 H 9 ILE608 0.0000 153 CD1 -0.0800 75.6560 -20.8800 C.3 9 ILE608 0.0000 154 HD11 -0.4644 75.9686 -21.8509 H 9 ILE608 0.0000 155 HD12 -0.6160 76.1825 -20.0904 H 9 ILE608 0.0000 156 HD13 -0.2221 74.5818 -20.7617 H 9 ILE608 0.0000 157 N 4.4440 76.2410 -24.3940 N.am 10 PRO609 0.0000 BACKBONE 158 CA 5.4520 75.6720 -25.2980 C.3 10 PRO609 0.0000 BACKBONE 159 HA 5.0702 75.4662 -26.2980 H 10 PRO609 0.0000 BACKBONE 160 C 5.9500 74.3280 -24.7850 C.2 10 PRO609 0.0000 BACKBONE 161 O 6.3900 74.2070 -23.6390 O.2 10 PRO609 0.0000 BACKBONE 162 CB 6.5610 76.7330 -25.2990 C.3 10 PRO609 0.0000 163 HB2 6.4530 77.4033 -26.1517 H 10 PRO609 0.0000 164 HB3 7.5443 76.2635 -25.3282 H 10 PRO609 0.0000 165 CG 6.3660 77.4740 -24.0150 C.3 10 PRO609 0.0000 166 HG2 6.7876 78.4771 -24.0798 H 10 PRO609 0.0000 167 HG3 6.8282 76.9385 -23.1857 H 10 PRO609 0.0000 168 CD 4.8770 77.5330 -23.8460 C.3 10 PRO609 0.0000 169 HD2 4.6032 77.6269 -22.7952 H 10 PRO609 0.0000 170 HD3 4.4492 78.3629 -24.4085 H 10 PRO609 0.0000 171 N 5.8720 73.3130 -25.6380 N.am 11 PHE610 0.0000 BACKBONE 172 H 5.5664 73.4944 -26.5834 H 11 PHE610 0.0000 BACKBONE 173 CA 6.2110 71.9480 -25.2600 C.3 11 PHE610 0.0000 BACKBONE 174 HA 6.3790 71.9362 -24.1831 H 11 PHE610 0.0000 BACKBONE 175 C 7.4760 71.4970 -25.9740 C.2 11 PHE610 0.0000 BACKBONE 176 O 7.5940 71.6360 -27.1960 O.2 11 PHE610 0.0000 BACKBONE 177 CB 5.0690 70.9830 -25.5880 C.3 11 PHE610 0.0000 178 HB2 4.7513 71.1603 -26.6155 H 11 PHE610 0.0000 179 HB3 4.2394 71.1866 -24.9109 H 11 PHE610 0.0000 180 CG 5.4510 69.5390 -25.4510 C.ar 11 PHE610 0.0000 181 CD1 5.4650 68.9260 -24.2120 C.ar 11 PHE610 0.0000 182 HD1 5.1881 69.4888 -23.3328 H 11 PHE610 0.0000 183 CD2 5.8150 68.7990 -26.5670 C.ar 11 PHE610 0.0000 184 HD2 5.8116 69.2671 -27.5403 H 11 PHE610 0.0000 185 CE1 5.8310 67.5970 -24.0890 C.ar 11 PHE610 0.0000 186 HE1 5.8355 67.1269 -23.1167 H 11 PHE610 0.0000 187 CE2 6.1820 67.4710 -26.4510 C.ar 11 PHE610 0.0000 188 HE2 6.4602 66.9076 -27.3294 H 11 PHE610 0.0000 189 CZ 6.1920 66.8680 -25.2120 C.ar 11 PHE610 0.0000 190 HZ 6.4799 65.8315 -25.1159 H 11 PHE610 0.0000 191 N 8.4180 70.9610 -25.1990 N.am 12 GLU611 0.0000 BACKBONE 192 H 8.2743 70.9490 -24.1994 H 12 GLU611 0.0000 BACKBONE 193 CA 9.6460 70.3920 -25.7350 C.3 12 GLU611 0.0000 BACKBONE 194 HA 9.5666 70.3458 -26.8211 H 12 GLU611 0.0000 BACKBONE 195 C 9.8480 68.9720 -25.2110 C.2 12 GLU611 0.0000 BACKBONE 196 O 10.1010 68.0480 -25.9890 O.2 12 GLU611 0.0000 BACKBONE 197 CB 10.8410 71.2790 -25.3750 C.3 12 GLU611 0.0000 198 HB2 10.8728 71.3780 -24.2900 H 12 GLU611 0.0000 199 HB3 10.6813 72.2590 -25.8247 H 12 GLU611 0.0000 200 CG 12.1870 70.7650 -25.8380 C.3 12 GLU611 0.0000 201 HG2 12.0642 69.7499 -26.2156 H 12 GLU611 0.0000 202 HG3 12.8706 70.7566 -24.9890 H 12 GLU611 0.0000 203 CD 12.7800 71.6230 -26.9320 C.2 12 GLU611 0.0000 204 OE1 12.3580 72.7940 -27.0570 O.co2 12 GLU611 -0.5000 205 OE2 13.6680 71.1360 -27.6570 O.co2 12 GLU611 -0.5000 206 N 9.7350 68.7920 -23.8950 N.am 13 GLN612 0.0000 BACKBONE 207 H 9.4751 69.5772 -23.3154 H 13 GLN612 0.0000 BACKBONE 208 CA 9.9740 67.5000 -23.2650 C.3 13 GLN612 0.0000 BACKBONE 209 HA 9.6985 66.7132 -23.9673 H 13 GLN612 0.0000 BACKBONE 210 C 9.1200 67.3750 -22.0110 C.2 13 GLN612 0.0000 BACKBONE 211 O 8.5980 68.3640 -21.4920 O.2 13 GLN612 0.0000 BACKBONE 212 CB 11.4590 67.3280 -22.9170 C.3 13 GLN612 0.0000 213 HB2 11.6377 67.8108 -21.9562 H 13 GLN612 0.0000 214 HB3 12.0455 67.8265 -23.6888 H 13 GLN612 0.0000 215 CG 11.9390 65.8960 -22.8170 C.3 13 GLN612 0.0000 216 HG2 11.7681 65.3998 -23.7724 H 13 GLN612 0.0000 217 HG3 11.3715 65.3881 -22.0372 H 13 GLN612 0.0000 218 CD 13.4160 65.8150 -22.4800 C.2 13 GLN612 0.0000 219 OE1 14.1210 66.8240 -22.4970 O.2 13 GLN612 0.0000 220 NE2 13.8930 64.6120 -22.1740 N.am 13 GLN612 0.0000 221 HE21 14.8699 64.4998 -21.9433 H 13 GLN612 0.0000 222 HE22 13.2784 63.8105 -22.1723 H 13 GLN612 0.0000 223 N 8.9510 66.1340 -21.5480 N.am 14 VAL613 0.0000 BACKBONE 224 H 9.2972 65.3580 -22.0940 H 14 VAL613 0.0000 BACKBONE 225 CA 8.2820 65.8610 -20.2780 C.3 14 VAL613 0.0000 BACKBONE 226 HA 8.5802 66.6214 -19.5562 H 14 VAL613 0.0000 BACKBONE 227 C 8.7100 64.4890 -19.7640 C.2 14 VAL613 0.0000 BACKBONE 228 O 8.5270 63.4730 -20.4450 O.2 14 VAL613 0.0000 BACKBONE 229 CB 6.7480 65.9520 -20.4130 C.3 14 VAL613 0.0000 230 HB 6.4795 66.9996 -20.5492 H 14 VAL613 0.0000 231 CG1 6.2590 65.1870 -21.6350 C.3 14 VAL613 0.0000 232 HG11 6.5131 64.1323 -21.5291 H 14 VAL613 0.0000 233 HG12 6.7361 65.5877 -22.5294 H 14 VAL613 0.0000 234 HG13 5.1776 65.2933 -21.7215 H 14 VAL613 0.0000 235 CG2 6.0720 65.4430 -19.1460 C.3 14 VAL613 0.0000 236 HG21 6.3293 64.3949 -18.9929 H 14 VAL613 0.0000 237 HG22 4.9911 65.5409 -19.2465 H 14 VAL613 0.0000 238 HG23 6.4120 66.0291 -18.2922 H 14 VAL613 0.0000 239 N 9.2960 64.4430 -18.5700 N.am 15 GLU614 0.0000 BACKBONE 240 H 9.4129 65.2998 -18.0482 H 15 GLU614 0.0000 BACKBONE 241 CA 9.7740 63.1930 -17.9930 C.3 15 GLU614 0.0000 BACKBONE 242 HA 9.7186 62.4259 -18.7654 H 15 GLU614 0.0000 BACKBONE 243 C 8.8920 62.8130 -16.8140 C.2 15 GLU614 0.0000 BACKBONE 244 O 8.6340 63.6400 -15.9310 O.2 15 GLU614 0.0000 BACKBONE 245 CB 11.2390 63.2780 -17.5510 C.3 15 GLU614 0.0000 246 HB2 11.8591 62.9761 -18.3951 H 15 GLU614 0.0000 247 HB3 11.3793 62.5771 -16.7281 H 15 GLU614 0.0000 248 CG 11.7190 64.6350 -17.0880 C.3 15 GLU614 0.0000 249 HG2 11.0691 64.9856 -16.2862 H 15 GLU614 0.0000 250 HG3 11.6716 65.3316 -17.9250 H 15 GLU614 0.0000 251 CD 13.1450 64.5770 -16.5760 C.2 15 GLU614 0.0000 252 OE1 13.4820 63.5940 -15.8830 O.co2 15 GLU614 -0.5000 253 OE2 13.9310 65.5010 -16.8720 O.co2 15 GLU614 -0.5000 254 N 8.4300 61.5670 -16.8030 N.am 16 LEU615 0.0000 BACKBONE 255 H 8.5980 60.9680 -17.5987 H 16 LEU615 0.0000 BACKBONE 256 CA 7.6870 61.0520 -15.6650 C.3 16 LEU615 0.0000 BACKBONE 257 HA 6.9041 61.7680 -15.4151 H 16 LEU615 0.0000 BACKBONE 258 C 8.6060 60.8860 -14.4600 C.2 16 LEU615 0.0000 BACKBONE 259 O 9.8020 60.6140 -14.5950 O.2 16 LEU615 0.0000 BACKBONE 260 CB 7.0390 59.7120 -16.0130 C.3 16 LEU615 0.0000 261 HB2 7.1075 59.0811 -15.1268 H 16 LEU615 0.0000 262 HB3 7.6246 59.2706 -16.8194 H 16 LEU615 0.0000 263 CG 5.5750 59.7060 -16.4610 C.3 16 LEU615 0.0000 264 HG 4.9520 59.9097 -15.5901 H 16 LEU615 0.0000 265 CD1 5.3130 60.7950 -17.4840 C.3 16 LEU615 0.0000 266 HD11 5.9242 60.6170 -18.3688 H 16 LEU615 0.0000 267 HD12 5.5673 61.7646 -17.0558 H 16 LEU615 0.0000 268 HD13 4.2592 60.7860 -17.7625 H 16 LEU615 0.0000 269 CD2 5.1970 58.3420 -17.0180 C.3 16 LEU615 0.0000 270 HD21 5.8119 58.1229 -17.8909 H 16 LEU615 0.0000 271 HD22 4.1457 58.3457 -17.3058 H 16 LEU615 0.0000 272 HD23 5.3625 57.5800 -16.2564 H 16 LEU615 0.0000 273 N 8.0380 61.0620 -13.2710 N.am 17 GLY616 0.0000 BACKBONE 274 H 7.0920 61.4122 -13.2198 H 17 GLY616 0.0000 BACKBONE 275 CA 8.7530 60.7600 -12.0470 C.3 17 GLY616 0.0000 BACKBONE 276 HA2 8.8757 61.6762 -11.4694 H 17 GLY616 0.0000 BACKBONE 277 HA3 9.7332 60.3538 -12.2965 H 17 GLY616 0.0000 BACKBONE 278 C 7.9930 59.7480 -11.2170 C.2 17 GLY616 0.0000 BACKBONE 279 O 7.3040 58.8850 -11.7680 O.2 17 GLY616 0.0000 BACKBONE 280 N 8.1060 59.8390 -9.8970 N.am 18 GLU617 0.0000 BACKBONE 281 H 8.6699 60.5710 -9.4892 H 18 GLU617 0.0000 BACKBONE 282 CA 7.4210 58.8890 -9.0380 C.3 18 GLU617 0.0000 BACKBONE 283 HA 7.5956 57.8880 -9.4325 H 18 GLU617 0.0000 BACKBONE 284 C 5.9200 59.1690 -9.0210 C.2 18 GLU617 0.0000 BACKBONE 285 O 5.5050 60.3330 -8.9840 O.2 18 GLU617 0.0000 BACKBONE 286 CB 7.9640 58.9770 -7.6120 C.3 18 GLU617 0.0000 287 HB2 7.4442 58.2369 -7.0036 H 18 GLU617 0.0000 288 HB3 7.7533 59.9753 -7.2286 H 18 GLU617 0.0000 289 CG 9.4530 58.7280 -7.4900 C.3 18 GLU617 0.0000 290 HG2 9.7593 58.9309 -6.4638 H 18 GLU617 0.0000 291 HG3 9.9777 59.4032 -8.1660 H 18 GLU617 0.0000 292 CD 9.8280 57.3040 -7.8370 C.2 18 GLU617 0.0000 293 OE1 9.5570 56.3990 -7.0190 O.co2 18 GLU617 -0.5000 294 OE2 10.3920 57.0880 -8.9290 O.co2 18 GLU617 -0.5000 295 N 5.0850 58.1360 -9.0500 N.am 19 PRO618 0.0000 BACKBONE 296 CA 3.6570 58.3460 -8.8050 C.3 19 PRO618 0.0000 BACKBONE 297 HA 3.2196 59.1343 -9.4176 H 19 PRO618 0.0000 BACKBONE 298 C 3.4300 58.7690 -7.3610 C.2 19 PRO618 0.0000 BACKBONE 299 O 4.2690 58.5570 -6.4840 O.2 19 PRO618 0.0000 BACKBONE 300 CB 3.0370 56.9760 -9.0980 C.3 19 PRO618 0.0000 301 HB2 2.6818 56.9256 -10.1273 H 19 PRO618 0.0000 302 HB3 2.2096 56.7738 -8.4178 H 19 PRO618 0.0000 303 CG 4.1520 56.0080 -8.8760 C.3 19 PRO618 0.0000 304 HG2 3.9981 55.1070 -9.4699 H 19 PRO618 0.0000 305 HG3 4.2201 55.7408 -7.8215 H 19 PRO618 0.0000 306 CD 5.4000 56.7230 -9.3190 C.3 19 PRO618 0.0000 307 HD2 6.2645 56.3973 -8.7405 H 19 PRO618 0.0000 308 HD3 5.5900 56.5590 -10.3797 H 19 PRO618 0.0000 309 N 2.2690 59.3730 -7.1130 N.am 20 ILE619 0.0000 BACKBONE 310 H 1.5901 59.4802 -7.8531 H 20 ILE619 0.0000 BACKBONE 311 CA 1.9730 59.8810 -5.7760 C.3 20 ILE619 0.0000 BACKBONE 312 HA 2.6251 59.3678 -5.0693 H 20 ILE619 0.0000 BACKBONE 313 C 0.5270 59.5820 -5.4040 C.2 20 ILE619 0.0000 BACKBONE 314 O -0.0640 60.2710 -4.5650 O.2 20 ILE619 0.0000 BACKBONE 315 CB 2.2750 61.3880 -5.6620 C.3 20 ILE619 0.0000 316 HB 1.7908 61.7700 -4.7633 H 20 ILE619 0.0000 317 CG1 1.7030 62.1460 -6.8580 C.3 20 ILE619 0.0000 318 HG12 0.6347 61.9379 -6.9166 H 20 ILE619 0.0000 319 HG13 2.1939 61.7826 -7.7608 H 20 ILE619 0.0000 320 CG2 3.7810 61.6260 -5.5240 C.3 20 ILE619 0.0000 321 HG21 4.2908 61.2521 -6.4120 H 20 ILE619 0.0000 322 HG22 4.1526 61.1014 -4.6438 H 20 ILE619 0.0000 323 HG23 3.9719 62.6939 -5.4180 H 20 ILE619 0.0000 324 CD1 1.8930 63.6510 -6.7840 C.3 20 ILE619 0.0000 325 HD11 1.4083 64.0347 -5.8863 H 20 ILE619 0.0000 326 HD12 1.4493 64.1169 -7.6639 H 20 ILE619 0.0000 327 HD13 2.9578 63.8815 -6.7488 H 20 ILE619 0.0000 328 N -0.0530 58.5600 -6.0230 N.am 21 GLY620 0.0000 BACKBONE 329 H 0.4425 58.0686 -6.7532 H 21 GLY620 0.0000 BACKBONE 330 CA -1.3920 58.1460 -5.6570 C.3 21 GLY620 0.0000 BACKBONE 331 HA2 -1.8886 58.9883 -5.1754 H 21 GLY620 0.0000 BACKBONE 332 HA3 -1.3113 57.3197 -4.9508 H 21 GLY620 0.0000 BACKBONE 333 C -2.2500 57.6930 -6.8170 C.2 21 GLY620 0.0000 BACKBONE 334 O -2.1960 58.2630 -7.9110 O.2 21 GLY620 0.0000 BACKBONE 335 N -3.0490 56.6580 -6.5780 N.am 22 GLN621 0.0000 BACKBONE 336 H -3.0060 56.2204 -5.6687 H 22 GLN621 0.0000 BACKBONE 337 CA -3.9810 56.1230 -7.5560 C.3 22 GLN621 0.0000 BACKBONE 338 HA -3.8061 56.6434 -8.4977 H 22 GLN621 0.0000 BACKBONE 339 C -5.4180 56.3590 -7.1090 C.2 22 GLN621 0.0000 BACKBONE 340 O -5.7180 56.3950 -5.9130 O.2 22 GLN621 0.0000 BACKBONE 341 CB -3.7530 54.6240 -7.7740 C.3 22 GLN621 0.0000 342 HB2 -4.5827 54.2331 -8.3629 H 22 GLN621 0.0000 343 HB3 -3.7363 54.1345 -6.8002 H 22 GLN621 0.0000 344 CG -2.4600 54.2960 -8.4950 C.3 22 GLN621 0.0000 345 HG2 -1.6250 54.6717 -7.9037 H 22 GLN621 0.0000 346 HG3 -2.4673 54.7885 -9.4673 H 22 GLN621 0.0000 347 CD -2.2750 52.8060 -8.7060 C.2 22 GLN621 0.0000 348 OE1 -3.2050 52.0210 -8.5190 O.2 22 GLN621 0.0000 349 NE2 -1.0700 52.4080 -9.1010 N.am 22 GLN621 0.0000 350 HE21 -0.8890 51.4271 -9.2597 H 22 GLN621 0.0000 351 HE22 -0.3353 53.0864 -9.2424 H 22 GLN621 0.0000 352 N -6.3040 56.5250 -8.0860 N.am 23 GLY622 0.0000 BACKBONE 353 H -5.9881 56.5218 -9.0453 H 23 GLY622 0.0000 BACKBONE 354 CA -7.7100 56.7100 -7.8050 C.3 23 GLY622 0.0000 BACKBONE 355 HA2 -7.9175 57.7711 -7.6668 H 23 GLY622 0.0000 BACKBONE 356 HA3 -7.9749 56.1669 -6.8978 H 23 GLY622 0.0000 BACKBONE 357 C -8.5230 56.1830 -8.9650 C.2 23 GLY622 0.0000 BACKBONE 358 O -7.9780 55.6810 -9.9500 O.2 23 GLY622 0.0000 BACKBONE 359 N -9.8440 56.3060 -8.8490 N.am 24 ARG623 0.0000 BACKBONE 360 H -10.2472 56.7059 -8.0138 H 24 ARG623 0.0000 BACKBONE 361 CA -10.7030 55.8580 -9.9390 C.3 24 ARG623 0.0000 BACKBONE 362 HA -10.3555 54.8678 -10.2336 H 24 ARG623 0.0000 BACKBONE 363 C -10.6020 56.7410 -11.1780 C.2 24 ARG623 0.0000 BACKBONE 364 O -11.2570 56.4400 -12.1810 O.2 24 ARG623 0.0000 BACKBONE 365 CB -12.1520 55.7790 -9.4600 C.3 24 ARG623 0.0000 366 HB2 -12.1874 55.1298 -8.5851 H 24 ARG623 0.0000 367 HB3 -12.7525 55.3446 -10.2593 H 24 ARG623 0.0000 368 CG -12.7580 57.1150 -9.0840 C.3 24 ARG623 0.0000 369 HG2 -12.7525 57.7665 -9.9578 H 24 ARG623 0.0000 370 HG3 -12.1612 57.5657 -8.2910 H 24 ARG623 0.0000 371 CD -14.1920 56.9510 -8.5950 C.3 24 ARG623 0.0000 372 HD2 -14.1872 56.3244 -7.7031 H 24 ARG623 0.0000 373 HD3 -14.7742 56.4646 -9.3776 H 24 ARG623 0.0000 374 NE -14.8230 58.2270 -8.2670 N.pl3 24 ARG623 0.0000 375 HE -15.3958 58.6695 -8.9714 H 24 ARG623 0.0000 376 CZ -14.6870 58.8390 -7.0960 C.cat 24 ARG623 1.0000 377 NH1 -13.9310 58.2990 -6.1510 N.pl3 24 ARG623 0.0000 378 HH11 -13.8200 58.7682 -5.2635 H 24 ARG623 0.0000 379 HH12 -13.4658 57.4182 -6.3183 H 24 ARG623 0.0000 380 NH2 -15.2940 59.9940 -6.8700 N.pl3 24 ARG623 0.0000 381 HH21 -15.1797 60.4591 -5.9808 H 24 ARG623 0.0000 382 HH22 -15.8713 60.4099 -7.5869 H 24 ARG623 0.0000 383 N -9.8090 57.8070 -11.1320 N.am 25 TRP624 0.0000 BACKBONE 384 H -9.4045 58.0613 -10.2422 H 25 TRP624 0.0000 BACKBONE 385 CA -9.4890 58.6320 -12.2950 C.3 25 TRP624 0.0000 BACKBONE 386 HA -10.0005 58.2505 -13.1787 H 25 TRP624 0.0000 BACKBONE 387 C -7.9790 58.5640 -12.5070 C.2 25 TRP624 0.0000 BACKBONE 388 O -7.2580 59.5510 -12.3270 O.2 25 TRP624 0.0000 BACKBONE 389 CB -9.9940 60.0740 -12.1320 C.3 25 TRP624 0.0000 390 HB2 -9.7883 60.6276 -13.0481 H 25 TRP624 0.0000 391 HB3 -9.4690 60.5418 -11.2991 H 25 TRP624 0.0000 392 CG -11.4580 60.1090 -11.8630 C.2 25 TRP624 0.0000 393 CD1 -12.0720 59.9680 -10.6550 C.2 25 TRP624 0.0000 394 HD1 -11.5600 59.8422 -9.7124 H 25 TRP624 0.0000 395 CD2 -12.5060 60.2110 -12.8370 C.ar 25 TRP624 0.0000 396 NE1 -13.4360 60.0090 -10.8090 N.pl3 25 TRP624 0.0000 397 HE1 -14.1133 59.9411 -10.0628 H 25 TRP624 0.0000 398 CE2 -13.7290 60.1570 -12.1400 C.ar 25 TRP624 0.0000 399 CE3 -12.5290 60.3600 -14.2290 C.ar 25 TRP624 0.0000 400 HE3 -11.6097 60.4055 -14.7939 H 25 TRP624 0.0000 401 CZ2 -14.9610 60.2460 -12.7830 C.ar 25 TRP624 0.0000 402 HZ2 -15.8865 60.2021 -12.2281 H 25 TRP624 0.0000 403 CZ3 -13.7590 60.4480 -14.8680 C.ar 25 TRP624 0.0000 404 HZ3 -13.7930 60.5622 -15.9414 H 25 TRP624 0.0000 405 CH2 -14.9560 60.3910 -14.1430 C.ar 25 TRP624 0.0000 406 HH2 -15.8961 60.4632 -14.6697 H 25 TRP624 0.0000 407 N -7.5110 57.3840 -12.9000 N.am 26 GLY625 0.0000 BACKBONE 408 H -8.1681 56.6184 -12.9470 H 26 GLY625 0.0000 BACKBONE 409 CA -6.1480 57.1050 -13.2640 C.3 26 GLY625 0.0000 BACKBONE 410 HA2 -5.8819 57.7476 -14.1033 H 26 GLY625 0.0000 BACKBONE 411 HA3 -6.0851 56.0611 -13.5714 H 26 GLY625 0.0000 BACKBONE 412 C -5.1350 57.3340 -12.1510 C.2 26 GLY625 0.0000 BACKBONE 413 O -5.4540 57.3980 -10.9610 O.2 26 GLY625 0.0000 BACKBONE 414 N -3.8830 57.4580 -12.5770 N.am 27 ARG626 0.0000 BACKBONE 415 H -3.7200 57.4909 -13.5732 H 27 ARG626 0.0000 BACKBONE 416 CA -2.7340 57.5490 -11.6910 C.3 27 ARG626 0.0000 BACKBONE 417 HA -3.0538 57.4593 -10.6528 H 27 ARG626 0.0000 BACKBONE 418 C -2.0560 58.9010 -11.8480 C.2 27 ARG626 0.0000 BACKBONE 419 O -1.9170 59.4110 -12.9630 O.2 27 ARG626 0.0000 BACKBONE 420 CB -1.7700 56.4070 -12.0190 C.3 27 ARG626 0.0000 421 HB2 -0.9301 56.4433 -11.3252 H 27 ARG626 0.0000 422 HB3 -1.4051 56.5344 -13.0382 H 27 ARG626 0.0000 423 CG -2.4500 55.0430 -11.9030 C.3 27 ARG626 0.0000 424 HG2 -3.2985 55.0227 -12.5869 H 27 ARG626 0.0000 425 HG3 -2.8052 54.9220 -10.8796 H 27 ARG626 0.0000 426 CD -1.5370 53.8710 -12.2360 C.3 27 ARG626 0.0000 427 HD2 -2.0132 52.9461 -11.9105 H 27 ARG626 0.0000 428 HD3 -0.5908 53.9972 -11.7099 H 27 ARG626 0.0000 429 NE -1.2770 53.7930 -13.6710 N.pl3 27 ARG626 0.0000 430 HE -2.0655 53.6417 -14.2837 H 27 ARG626 0.0000 431 CZ -0.0770 53.9070 -14.2260 C.cat 27 ARG626 1.0000 432 NH1 0.9940 54.0900 -13.4650 N.pl3 27 ARG626 0.0000 433 HH11 1.9073 54.1685 -13.8890 H 27 ARG626 0.0000 434 HH12 0.8961 54.1509 -12.4616 H 27 ARG626 0.0000 435 NH2 0.0510 53.8270 -15.5440 N.pl3 27 ARG626 0.0000 436 HH21 0.9642 53.9054 -15.9684 H 27 ARG626 0.0000 437 HH22 -0.7647 53.6877 -16.1231 H 27 ARG626 0.0000 438 N -1.6330 59.4750 -10.7240 N.am 28 VAL627 0.0000 BACKBONE 439 H -1.7364 58.9663 -9.8576 H 28 VAL627 0.0000 BACKBONE 440 CA -1.0270 60.8030 -10.6800 C.3 28 VAL627 0.0000 BACKBONE 441 HA -1.1671 61.3051 -11.6373 H 28 VAL627 0.0000 BACKBONE 442 C 0.4590 60.6270 -10.3960 C.2 28 VAL627 0.0000 BACKBONE 443 O 0.8400 59.9870 -9.4090 O.2 28 VAL627 0.0000 BACKBONE 444 CB -1.7010 61.7030 -9.6290 C.3 28 VAL627 0.0000 445 HB -1.8994 61.0998 -8.7431 H 28 VAL627 0.0000 446 CG1 -0.7820 62.8480 -9.2300 C.3 28 VAL627 0.0000 447 HG11 -0.5704 63.4652 -10.1032 H 28 VAL627 0.0000 448 HG12 0.1506 62.4448 -8.8354 H 28 VAL627 0.0000 449 HG13 -1.2679 63.4544 -8.4656 H 28 VAL627 0.0000 450 CG2 -3.0300 62.2400 -10.1520 C.3 28 VAL627 0.0000 451 HG21 -2.8525 62.8471 -11.0397 H 28 VAL627 0.0000 452 HG22 -3.5031 62.8506 -9.3829 H 28 VAL627 0.0000 453 HG23 -3.6838 61.4060 -10.4070 H 28 VAL627 0.0000 454 N 1.2920 61.2070 -11.2540 N.am 29 HIS628 0.0000 BACKBONE 455 H 0.8955 61.7298 -12.0218 H 29 HIS628 0.0000 BACKBONE 456 CA 2.7440 61.1330 -11.1520 C.3 29 HIS628 0.0000 BACKBONE 457 HA 2.9625 60.4943 -10.2962 H 29 HIS628 0.0000 BACKBONE 458 C 3.3640 62.5020 -10.9110 C.2 29 HIS628 0.0000 BACKBONE 459 O 3.0020 63.4830 -11.5600 O.2 29 HIS628 0.0000 BACKBONE 460 CB 3.3600 60.5160 -12.4150 C.3 29 HIS628 0.0000 461 HB2 4.4427 60.6290 -12.3588 H 29 HIS628 0.0000 462 HB3 2.9825 61.0594 -13.2812 H 29 HIS628 0.0000 463 CG 3.0470 59.0640 -12.5970 C.2 29 HIS628 0.0000 464 ND1 1.8660 58.6130 -13.1450 N.2 29 HIS628 0.0000 465 CD2 3.7730 57.9570 -12.3070 C.2 29 HIS628 0.0000 466 HD2 4.7596 57.9346 -11.8683 H 29 HIS628 0.0000 467 CE1 1.8740 57.2920 -13.1770 C.2 29 HIS628 0.0000 468 HE1 1.0782 56.6645 -13.5504 H 29 HIS628 0.0000 469 NE2 3.0200 56.8690 -12.6750 N.pl3 29 HIS628 0.0000 470 HE2 3.2974 55.9028 -12.5776 H 29 HIS628 0.0000 471 N 4.3160 62.5580 -9.9860 N.am 30 ARG629 0.0000 BACKBONE 472 H 4.4449 61.7856 -9.3482 H 30 ARG629 0.0000 BACKBONE 473 CA 5.1720 63.7280 -9.8900 C.3 30 ARG629 0.0000 BACKBONE 474 HA 4.5754 64.6323 -9.7705 H 30 ARG629 0.0000 BACKBONE 475 C 5.9910 63.8020 -11.1670 C.2 30 ARG629 0.0000 BACKBONE 476 O 6.8000 62.9140 -11.4440 O.2 30 ARG629 0.0000 BACKBONE 477 CB 6.0920 63.6110 -8.6670 C.3 30 ARG629 0.0000 478 HB2 6.6940 62.7096 -8.7816 H 30 ARG629 0.0000 479 HB3 5.4653 63.5190 -7.7799 H 30 ARG629 0.0000 480 CG 7.0330 64.7820 -8.4590 C.3 30 ARG629 0.0000 481 HG2 6.4531 65.7048 -8.4744 H 30 ARG629 0.0000 482 HG3 7.7599 64.7961 -9.2711 H 30 ARG629 0.0000 483 CD 7.7790 64.6950 -7.1360 C.3 30 ARG629 0.0000 484 HD2 8.6267 65.3788 -7.1793 H 30 ARG629 0.0000 485 HD3 8.1416 63.6739 -7.0179 H 30 ARG629 0.0000 486 NE 6.9850 65.0320 -5.9630 N.pl3 30 ARG629 0.0000 487 HE 6.2072 64.4338 -5.7238 H 30 ARG629 0.0000 488 CZ 7.2300 66.0860 -5.1900 C.cat 30 ARG629 1.0000 489 NH1 8.2360 66.8930 -5.4860 N.pl3 30 ARG629 0.0000 490 HH11 8.4269 67.6964 -4.9044 H 30 ARG629 0.0000 491 HH12 8.8130 66.7056 -6.2935 H 30 ARG629 0.0000 492 NH2 6.4770 66.3400 -4.1270 N.pl3 30 ARG629 0.0000 493 HH21 6.6734 67.1452 -3.5497 H 30 ARG629 0.0000 494 HH22 5.7076 65.7281 -3.8953 H 30 ARG629 0.0000 495 N 5.8010 64.8530 -11.9470 N.am 31 GLY630 0.0000 BACKBONE 496 H 5.1724 65.5979 -11.6822 H 31 GLY630 0.0000 BACKBONE 497 CA 6.5310 64.8910 -13.1950 C.3 31 GLY630 0.0000 BACKBONE 498 HA2 5.8131 65.0052 -14.0072 H 31 GLY630 0.0000 BACKBONE 499 HA3 7.0615 63.9457 -13.3092 H 31 GLY630 0.0000 BACKBONE 500 C 7.5400 66.0160 -13.2920 C.2 31 GLY630 0.0000 BACKBONE 501 O 7.8600 66.6440 -12.2810 O.2 31 GLY630 0.0000 BACKBONE 502 N 8.0760 66.2440 -14.4910 N.am 32 ARG631 0.0000 BACKBONE 503 H 7.8449 65.6271 -15.2566 H 32 ARG631 0.0000 BACKBONE 504 CA 8.9870 67.3590 -14.7300 C.3 32 ARG631 0.0000 BACKBONE 505 HA 8.8147 68.1356 -13.9848 H 32 ARG631 0.0000 BACKBONE 506 C 8.7180 67.8890 -16.1260 C.2 32 ARG631 0.0000 BACKBONE 507 O 9.0260 67.2110 -17.1130 O.2 32 ARG631 0.0000 BACKBONE 508 CB 10.4520 66.9290 -14.5930 C.3 32 ARG631 0.0000 509 HB2 10.6803 66.2247 -15.3930 H 32 ARG631 0.0000 510 HB3 10.5775 66.4366 -13.6287 H 32 ARG631 0.0000 511 CG 11.4580 68.1080 -14.6760 C.3 32 ARG631 0.0000 512 HG2 11.0905 68.9340 -14.0671 H 32 ARG631 0.0000 513 HG3 11.5438 68.4314 -15.7134 H 32 ARG631 0.0000 514 CD 12.8250 67.6900 -14.1720 C.3 32 ARG631 0.0000 515 HD2 13.4933 68.5504 -14.2074 H 32 ARG631 0.0000 516 HD3 13.2136 66.9014 -14.8164 H 32 ARG631 0.0000 517 NE 12.7640 67.1940 -12.8010 N.pl3 32 ARG631 0.0000 518 HE 12.6539 66.2003 -12.6578 H 32 ARG631 0.0000 519 CZ 12.8450 67.9750 -11.7330 C.cat 32 ARG631 1.0000 520 NH1 12.7800 67.4380 -10.5290 N.pl3 32 ARG631 0.0000 521 HH11 12.8496 68.0248 -9.7099 H 32 ARG631 0.0000 522 HH12 12.6606 66.4403 -10.4268 H 32 ARG631 0.0000 523 NH2 13.0020 69.2870 -11.8720 N.pl3 32 ARG631 0.0000 524 HH21 13.0720 69.8766 -11.0549 H 32 ARG631 0.0000 525 HH22 13.0514 69.6947 -12.7947 H 32 ARG631 0.0000 526 N 8.1480 69.0900 -16.2080 N.am 33 TRP632 0.0000 BACKBONE 527 H 7.8564 69.5698 -15.3685 H 33 TRP632 0.0000 BACKBONE 528 CA 7.9450 69.7130 -17.5160 C.3 33 TRP632 0.0000 BACKBONE 529 HA 7.5094 68.9717 -18.1860 H 33 TRP632 0.0000 BACKBONE 530 C 9.2850 70.1920 -18.0160 C.2 33 TRP632 0.0000 BACKBONE 531 H 9.8161 69.6218 -18.7638 H 33 TRP632 0.0000 BACKBONE 532 O 9.7780 71.2380 -17.5710 O.2 33 TRP632 0.0000 BACKBONE 533 CB 6.9620 70.8940 -17.4640 C.3 33 TRP632 0.0000 534 HB2 7.3813 71.6673 -16.8203 H 33 TRP632 0.0000 535 HB3 6.0193 70.5434 -17.0439 H 33 TRP632 0.0000 536 CG 6.6910 71.4920 -18.8190 C.2 33 TRP632 0.0000 537 CD1 7.4670 72.3930 -19.4820 C.2 33 TRP632 0.0000 538 HD1 8.3896 72.8098 -19.1059 H 33 TRP632 0.0000 539 CD2 5.5680 71.2240 -19.6730 C.ar 33 TRP632 0.0000 540 NE1 6.9070 72.6940 -20.6960 N.pl3 33 TRP632 0.0000 541 HE1 7.2945 73.3307 -21.3776 H 33 TRP632 0.0000 542 CE2 5.7380 71.9940 -20.8380 C.ar 33 TRP632 0.0000 543 CE3 4.4360 70.4070 -19.5640 C.ar 33 TRP632 0.0000 544 HE3 4.2746 69.8029 -18.6834 H 33 TRP632 0.0000 545 CZ2 4.8210 71.9710 -21.8910 C.ar 33 TRP632 0.0000 546 HZ2 4.9740 72.5665 -22.7789 H 33 TRP632 0.0000 547 CZ3 3.5230 70.3900 -20.6150 C.ar 33 TRP632 0.0000 548 HZ3 2.6452 69.7647 -20.5455 H 33 TRP632 0.0000 549 CH2 3.7230 71.1680 -21.7580 C.ar 33 TRP632 0.0000 550 HH2 2.9939 71.1342 -22.5541 H 33 TRP632 0.0000 @BOND 1 1 2 1 BACKBONE 2 1 3 1 BACKBONE 3 1 4 1 BACKBONE 4 1 5 1 BACKBONE 5 5 6 1 BACKBONE 6 5 7 1 BACKBONE 7 5 9 1 8 7 8 2 BACKBONE 9 7 14 am BACKBONE|INTERRES 10 9 10 1 11 9 11 1 12 9 12 1 13 12 13 1 14 14 15 1 BACKBONE 15 14 16 1 BACKBONE 16 16 17 1 BACKBONE 17 16 18 1 BACKBONE 18 16 20 1 19 18 19 2 BACKBONE 20 18 30 am BACKBONE|INTERRES 21 20 21 1 22 20 22 1 23 20 26 1 24 22 23 1 25 22 24 1 26 22 25 1 27 26 27 1 28 26 28 1 29 26 29 1 30 30 31 1 BACKBONE 31 30 32 1 BACKBONE 32 32 33 1 BACKBONE 33 32 34 1 BACKBONE 34 32 36 1 35 34 35 2 BACKBONE 36 34 51 am BACKBONE|INTERRES 37 36 37 1 38 36 38 1 39 36 39 1 40 39 40 ar 41 39 42 ar 42 40 41 1 43 40 44 ar 44 42 43 1 45 42 46 ar 46 44 45 1 47 44 48 ar 48 46 47 1 49 46 48 ar 50 48 49 1 51 49 50 1 52 51 52 1 BACKBONE 53 51 53 1 BACKBONE 54 53 54 1 BACKBONE 55 53 55 1 BACKBONE 56 53 57 1 57 55 56 2 BACKBONE 58 55 70 am BACKBONE|INTERRES 59 57 58 1 60 57 59 1 61 57 60 1 62 60 61 1 63 60 62 1 64 60 66 1 65 62 63 1 66 62 64 1 67 62 65 1 68 66 67 1 69 66 68 1 70 66 69 1 71 70 71 1 BACKBONE 72 70 72 1 BACKBONE 73 72 73 1 BACKBONE 74 72 74 1 BACKBONE 75 72 76 1 76 74 75 2 BACKBONE 77 74 87 am BACKBONE|INTERRES 78 76 77 1 79 76 78 1 80 76 79 1 81 79 80 1 82 79 81 1 83 79 82 1 84 82 83 2 85 82 84 am 86 84 85 1 87 84 86 1 88 87 88 1 BACKBONE 89 87 89 1 BACKBONE 90 89 90 1 BACKBONE 91 89 91 1 BACKBONE 92 89 93 1 93 91 92 2 BACKBONE 94 91 102 am BACKBONE|INTERRES 95 93 94 1 96 93 95 1 97 93 96 1 98 96 97 1 99 96 98 1 100 96 99 1 101 99 100 ar 102 99 101 ar 103 102 103 1 BACKBONE 104 102 104 1 BACKBONE 105 104 105 1 BACKBONE 106 104 106 1 BACKBONE 107 104 108 1 108 106 107 2 BACKBONE 109 106 126 am BACKBONE|INTERRES 110 108 109 1 111 108 110 1 112 108 111 1 113 111 112 2 114 111 114 1 115 112 113 1 116 112 115 1 117 114 117 ar 118 114 118 ar 119 115 116 1 120 115 117 1 121 117 120 ar 122 118 119 1 123 118 122 ar 124 120 121 1 125 120 124 ar 126 122 123 1 127 122 124 ar 128 124 125 1 129 126 127 1 BACKBONE 130 126 128 1 BACKBONE 131 128 129 1 BACKBONE 132 128 130 1 BACKBONE 133 128 132 1 134 130 131 2 BACKBONE 135 130 138 am BACKBONE|INTERRES 136 132 133 1 137 132 134 1 138 132 135 1 139 135 136 ar 140 135 137 ar 141 138 139 1 BACKBONE 142 138 140 1 BACKBONE 143 140 141 1 BACKBONE 144 140 142 1 BACKBONE 145 140 144 1 146 142 143 2 BACKBONE 147 142 157 am BACKBONE|INTERRES 148 144 145 1 149 144 146 1 150 144 149 1 151 146 147 1 152 146 148 1 153 146 153 1 154 149 150 1 155 149 151 1 156 149 152 1 157 153 154 1 158 153 155 1 159 153 156 1 160 157 158 1 BACKBONE 161 157 168 1 162 158 159 1 BACKBONE 163 158 160 1 BACKBONE 164 158 162 1 165 160 161 2 BACKBONE 166 160 171 am BACKBONE|INTERRES 167 162 163 1 168 162 164 1 169 162 165 1 170 165 166 1 171 165 167 1 172 165 168 1 173 168 169 1 174 168 170 1 175 171 172 1 BACKBONE 176 171 173 1 BACKBONE 177 173 174 1 BACKBONE 178 173 175 1 BACKBONE 179 173 177 1 180 175 176 2 BACKBONE 181 175 191 am BACKBONE|INTERRES 182 177 178 1 183 177 179 1 184 177 180 1 185 180 181 ar 186 180 183 ar 187 181 182 1 188 181 185 ar 189 183 184 1 190 183 187 ar 191 185 186 1 192 185 189 ar 193 187 188 1 194 187 189 ar 195 189 190 1 196 191 192 1 BACKBONE 197 191 193 1 BACKBONE 198 193 194 1 BACKBONE 199 193 195 1 BACKBONE 200 193 197 1 201 195 196 2 BACKBONE 202 195 206 am BACKBONE|INTERRES 203 197 198 1 204 197 199 1 205 197 200 1 206 200 201 1 207 200 202 1 208 200 203 1 209 203 204 ar 210 203 205 ar 211 206 207 1 BACKBONE 212 206 208 1 BACKBONE 213 208 209 1 BACKBONE 214 208 210 1 BACKBONE 215 208 212 1 216 210 211 2 BACKBONE 217 210 223 am BACKBONE|INTERRES 218 212 213 1 219 212 214 1 220 212 215 1 221 215 216 1 222 215 217 1 223 215 218 1 224 218 219 2 225 218 220 am 226 220 221 1 227 220 222 1 228 223 224 1 BACKBONE 229 223 225 1 BACKBONE 230 225 226 1 BACKBONE 231 225 227 1 BACKBONE 232 225 229 1 233 227 228 2 BACKBONE 234 227 239 am BACKBONE|INTERRES 235 229 230 1 236 229 231 1 237 229 235 1 238 231 232 1 239 231 233 1 240 231 234 1 241 235 236 1 242 235 237 1 243 235 238 1 244 239 240 1 BACKBONE 245 239 241 1 BACKBONE 246 241 242 1 BACKBONE 247 241 243 1 BACKBONE 248 241 245 1 249 243 244 2 BACKBONE 250 243 254 am BACKBONE|INTERRES 251 245 246 1 252 245 247 1 253 245 248 1 254 248 249 1 255 248 250 1 256 248 251 1 257 251 252 ar 258 251 253 ar 259 254 255 1 BACKBONE 260 254 256 1 BACKBONE 261 256 257 1 BACKBONE 262 256 258 1 BACKBONE 263 256 260 1 264 258 259 2 BACKBONE 265 258 273 am BACKBONE|INTERRES 266 260 261 1 267 260 262 1 268 260 263 1 269 263 264 1 270 263 265 1 271 263 269 1 272 265 266 1 273 265 267 1 274 265 268 1 275 269 270 1 276 269 271 1 277 269 272 1 278 273 274 1 BACKBONE 279 273 275 1 BACKBONE 280 275 276 1 BACKBONE 281 275 277 1 BACKBONE 282 275 278 1 BACKBONE 283 278 279 2 BACKBONE 284 278 280 am BACKBONE|INTERRES 285 280 281 1 BACKBONE 286 280 282 1 BACKBONE 287 282 283 1 BACKBONE 288 282 284 1 BACKBONE 289 282 286 1 290 284 285 2 BACKBONE 291 284 295 am BACKBONE|INTERRES 292 286 287 1 293 286 288 1 294 286 289 1 295 289 290 1 296 289 291 1 297 289 292 1 298 292 293 ar 299 292 294 ar 300 295 296 1 BACKBONE 301 295 306 1 302 296 297 1 BACKBONE 303 296 298 1 BACKBONE 304 296 300 1 305 298 299 2 BACKBONE 306 298 309 am BACKBONE|INTERRES 307 300 301 1 308 300 302 1 309 300 303 1 310 303 304 1 311 303 305 1 312 303 306 1 313 306 307 1 314 306 308 1 315 309 310 1 BACKBONE 316 309 311 1 BACKBONE 317 311 312 1 BACKBONE 318 311 313 1 BACKBONE 319 311 315 1 320 313 314 2 BACKBONE 321 313 328 am BACKBONE|INTERRES 322 315 316 1 323 315 317 1 324 315 320 1 325 317 318 1 326 317 319 1 327 317 324 1 328 320 321 1 329 320 322 1 330 320 323 1 331 324 325 1 332 324 326 1 333 324 327 1 334 328 329 1 BACKBONE 335 328 330 1 BACKBONE 336 330 331 1 BACKBONE 337 330 332 1 BACKBONE 338 330 333 1 BACKBONE 339 333 334 2 BACKBONE 340 333 335 am BACKBONE|INTERRES 341 335 336 1 BACKBONE 342 335 337 1 BACKBONE 343 337 338 1 BACKBONE 344 337 339 1 BACKBONE 345 337 341 1 346 339 340 2 BACKBONE 347 339 352 am BACKBONE|INTERRES 348 341 342 1 349 341 343 1 350 341 344 1 351 344 345 1 352 344 346 1 353 344 347 1 354 347 348 2 355 347 349 am 356 349 350 1 357 349 351 1 358 352 353 1 BACKBONE 359 352 354 1 BACKBONE 360 354 355 1 BACKBONE 361 354 356 1 BACKBONE 362 354 357 1 BACKBONE 363 357 358 2 BACKBONE 364 357 359 am BACKBONE|INTERRES 365 359 360 1 BACKBONE 366 359 361 1 BACKBONE 367 361 362 1 BACKBONE 368 361 363 1 BACKBONE 369 361 365 1 370 363 364 2 BACKBONE 371 363 383 am BACKBONE|INTERRES 372 365 366 1 373 365 367 1 374 365 368 1 375 368 369 1 376 368 370 1 377 368 371 1 378 371 372 1 379 371 373 1 380 371 374 1 381 374 375 1 382 374 376 ar 383 376 377 ar 384 376 380 ar 385 377 378 1 386 377 379 1 387 380 381 1 388 380 382 1 389 383 384 1 BACKBONE 390 383 385 1 BACKBONE 391 385 386 1 BACKBONE 392 385 387 1 BACKBONE 393 385 389 1 394 387 388 2 BACKBONE 395 387 407 am BACKBONE|INTERRES 396 389 390 1 397 389 391 1 398 389 392 1 399 392 393 2 400 392 395 1 401 393 394 1 402 393 396 1 403 395 398 ar 404 395 399 ar 405 396 397 1 406 396 398 1 407 398 401 ar 408 399 400 1 409 399 403 ar 410 401 402 1 411 401 405 ar 412 403 404 1 413 403 405 ar 414 405 406 1 415 407 408 1 BACKBONE 416 407 409 1 BACKBONE 417 409 410 1 BACKBONE 418 409 411 1 BACKBONE 419 409 412 1 BACKBONE 420 412 413 2 BACKBONE 421 412 414 am BACKBONE|INTERRES 422 414 415 1 BACKBONE 423 414 416 1 BACKBONE 424 416 417 1 BACKBONE 425 416 418 1 BACKBONE 426 416 420 1 427 418 419 2 BACKBONE 428 418 438 am BACKBONE|INTERRES 429 420 421 1 430 420 422 1 431 420 423 1 432 423 424 1 433 423 425 1 434 423 426 1 435 426 427 1 436 426 428 1 437 426 429 1 438 429 430 1 439 429 431 ar 440 431 432 ar 441 431 435 ar 442 432 433 1 443 432 434 1 444 435 436 1 445 435 437 1 446 438 439 1 BACKBONE 447 438 440 1 BACKBONE 448 440 441 1 BACKBONE 449 440 442 1 BACKBONE 450 440 444 1 451 442 443 2 BACKBONE 452 442 454 am BACKBONE|INTERRES 453 444 445 1 454 444 446 1 455 444 450 1 456 446 447 1 457 446 448 1 458 446 449 1 459 450 451 1 460 450 452 1 461 450 453 1 462 454 455 1 BACKBONE 463 454 456 1 BACKBONE 464 456 457 1 BACKBONE 465 456 458 1 BACKBONE 466 456 460 1 467 458 459 2 BACKBONE 468 458 471 am BACKBONE|INTERRES 469 460 461 1 470 460 462 1 471 460 463 1 472 463 464 1 473 463 465 2 474 464 467 2 475 465 466 1 476 465 469 1 477 467 468 1 478 467 469 1 479 469 470 1 480 471 472 1 BACKBONE 481 471 473 1 BACKBONE 482 473 474 1 BACKBONE 483 473 475 1 BACKBONE 484 473 477 1 485 475 476 2 BACKBONE 486 475 495 am BACKBONE|INTERRES 487 477 478 1 488 477 479 1 489 477 480 1 490 480 481 1 491 480 482 1 492 480 483 1 493 483 484 1 494 483 485 1 495 483 486 1 496 486 487 1 497 486 488 ar 498 488 489 ar 499 488 492 ar 500 489 490 1 501 489 491 1 502 492 493 1 503 492 494 1 504 495 496 1 BACKBONE 505 495 497 1 BACKBONE 506 497 498 1 BACKBONE 507 497 499 1 BACKBONE 508 497 500 1 BACKBONE 509 500 501 2 BACKBONE 510 500 502 am BACKBONE|INTERRES 511 502 503 1 BACKBONE 512 502 504 1 BACKBONE 513 504 505 1 BACKBONE 514 504 506 1 BACKBONE 515 504 508 1 516 506 507 2 BACKBONE 517 506 526 am BACKBONE|INTERRES 518 508 509 1 519 508 510 1 520 508 511 1 521 511 512 1 522 511 513 1 523 511 514 1 524 514 515 1 525 514 516 1 526 514 517 1 527 517 518 1 528 517 519 ar 529 519 520 ar 530 519 523 ar 531 520 521 1 532 520 522 1 533 523 524 1 534 523 525 1 535 526 527 1 BACKBONE 536 526 528 1 BACKBONE 537 528 529 1 BACKBONE 538 528 530 1 BACKBONE 539 528 533 1 540 530 531 1 BACKBONE 541 530 532 2 BACKBONE 542 533 534 1 543 533 535 1 544 533 536 1 545 536 537 2 546 536 539 1 547 537 538 1 548 537 540 1 549 539 542 ar 550 539 543 ar 551 540 541 1 552 540 542 1 553 542 545 ar 554 543 544 1 555 543 547 ar 556 545 546 1 557 545 549 ar 558 547 548 1 559 547 549 ar 560 549 550 1 @SUBSTRUCTURE 1 SER600 5 RESIDUE 4 D SER 1 2 VAL601 16 RESIDUE 4 D VAL 2 3 TYR602 32 RESIDUE 4 D TYR 2 4 LEU603 53 RESIDUE 4 D LEU 2 5 GLN604 72 RESIDUE 4 D GLN 2 6 GLU605 89 RESIDUE 4 D GLU 2 7 TRP606 104 RESIDUE 4 D TRP 2 8 ASP607 128 RESIDUE 4 D ASP 2 9 ILE608 140 RESIDUE 4 D ILE 2 10 PRO609 158 RESIDUE 4 D PRO 2 11 PHE610 173 RESIDUE 4 D PHE 2 12 GLU611 193 RESIDUE 4 D GLU 2 13 GLN612 208 RESIDUE 4 D GLN 2 14 VAL613 225 RESIDUE 4 D VAL 2 15 GLU614 241 RESIDUE 4 D GLU 2 16 LEU615 256 RESIDUE 4 D LEU 2 17 GLY616 275 RESIDUE 4 D GLY 2 18 GLU617 282 RESIDUE 4 D GLU 2 19 PRO618 296 RESIDUE 4 D PRO 2 20 ILE619 311 RESIDUE 4 D ILE 2 21 GLY620 330 RESIDUE 4 D GLY 2 22 GLN621 337 RESIDUE 4 D GLN 2 23 GLY622 354 RESIDUE 4 D GLY 2 24 ARG623 361 RESIDUE 4 D ARG 2 25 TRP624 385 RESIDUE 4 D TRP 2 26 GLY625 409 RESIDUE 4 D GLY 2 27 ARG626 416 RESIDUE 4 D ARG 2 28 VAL627 440 RESIDUE 4 D VAL 2 29 HIS628 456 RESIDUE 4 D HIS 2 30 ARG629 473 RESIDUE 4 D ARG 2 31 GLY630 497 RESIDUE 4 D GLY 2 32 ARG631 504 RESIDUE 4 D ARG 2 33 TRP632 528 RESIDUE 4 D TRP 1 # MOE 2014.09 (io_trps.svl 2012.10)