#################################################################### # DELTA # # Database for Extended Ligand-Target Analyses # # 2025 # #################################################################### @MOLECULE 3hyg_min 3330 3358 223 0 0 SMALL USER_CHARGES File created by VEGA ZZ 3.2.4 @ATOM 1 N 6.0540 -22.9610 8.3800 N.4 1 SER1 -0.0619 2 H1 6.2205 -23.4543 7.4774 H 1 SER1 0.2751 3 H2 5.0354 -22.7567 8.4617 H 1 SER1 0.2751 4 H3 6.3682 -23.5613 9.1670 H 1 SER1 0.2751 5 CA 6.7950 -21.6630 8.3750 C.3 1 SER1 0.2155 6 HA 7.8474 -21.8795 8.1730 H 1 SER1 0.0714 7 C 6.7080 -20.9320 9.7220 C.2 1 SER1 0.2338 8 O 5.6150 -20.6630 10.2320 O.2 1 SER1 -0.2772 9 CB 6.2428 -20.7819 7.2464 C.3 1 SER1 0.0806 10 HB1 6.6102 -21.1480 6.2792 H 1 SER1 0.0582 11 HB2 6.5699 -19.7400 7.3503 H 1 SER1 0.0582 12 OG 4.8264 -20.8879 7.2990 O.3 1 SER1 -0.3925 13 HG 4.4132 -20.3558 6.6161 H 1 SER1 0.2095 14 N 7.8720 -20.6120 10.2830 N.am 2 ARG2 -0.2452 15 H 8.7340 -20.8230 9.7790 H 2 ARG2 0.1312 16 CA 7.9630 -19.9690 11.5950 C.3 2 ARG2 0.0879 17 HA 7.0640 -20.2745 12.1364 H 2 ARG2 0.0557 18 C 7.9070 -18.4470 11.4730 C.2 2 ARG2 0.2187 19 O 8.5100 -17.8660 10.5680 O.2 2 ARG2 -0.2778 20 CB 9.1915 -20.4201 12.4182 C.3 2 ARG2 -0.0258 21 HB1 9.9661 -19.6513 12.4142 H 2 ARG2 0.0286 22 HB2 9.6469 -21.2989 11.9600 H 2 ARG2 0.0286 23 CG 8.7854 -20.7655 13.8673 C.3 2 ARG2 -0.0154 24 HG1 8.2335 -21.7064 13.8402 H 2 ARG2 0.0299 25 HG2 8.0752 -20.0278 14.2441 H 2 ARG2 0.0299 26 CD 9.9405 -20.8988 14.8748 C.3 2 ARG2 0.1045 27 HD1 10.8939 -21.1152 14.3875 H 2 ARG2 0.0711 28 HD2 9.7216 -21.7285 15.5506 H 2 ARG2 0.0711 29 NE 10.0761 -19.6563 15.6521 N.pl3 2 ARG2 -0.4450 30 HE 9.9788 -18.7646 15.2078 H 2 ARG2 0.3153 31 CZ 10.3152 -19.5895 16.9653 C.cat 2 ARG2 0.5062 32 NH1 10.5184 -20.6582 17.6898 N.pl3 2 ARG2 -0.4573 33 HH11 10.6864 -20.5690 18.6692 H 2 ARG2 0.3114 34 HH12 10.5092 -21.5599 17.2692 H 2 ARG2 0.3114 35 NH2 10.3494 -18.4296 17.5577 N.pl3 2 ARG2 -0.4573 36 HH21 10.4849 -18.3679 18.5432 H 2 ARG2 0.3114 37 HH22 10.2488 -17.5747 17.0447 H 2 ARG2 0.3114 38 N 7.1760 -17.8140 12.3930 N.am 3 ALA3 -0.2459 39 H 6.6900 -18.3680 13.0990 H 3 ALA3 0.1312 40 CA 7.0430 -16.3540 12.4300 C.3 3 ALA3 0.0850 41 HA 6.6095 -16.0448 11.4814 H 3 ALA3 0.0554 42 C 8.4070 -15.6630 12.5920 C.2 3 ALA3 0.2184 43 O 9.3250 -16.1810 13.2330 O.2 3 ALA3 -0.2778 44 CB 6.1262 -15.9713 13.5963 C.3 3 ALA3 -0.0411 45 HB1 6.0244 -14.8900 13.6823 H 3 ALA3 0.0249 46 HB2 6.5173 -16.3397 14.5454 H 3 ALA3 0.0249 47 HB3 5.1284 -16.3891 13.4618 H 3 ALA3 0.0249 48 N 8.5250 -14.4860 11.9970 N.am 4 ARG4 -0.2457 49 H 7.7160 -14.0950 11.5140 H 4 ARG4 0.1312 50 CA 9.7680 -13.7310 12.0080 C.3 4 ARG4 0.0879 51 HA 10.4551 -14.2045 12.7083 H 4 ARG4 0.0557 52 C 9.5060 -12.3240 12.5100 C.2 4 ARG4 0.2187 53 O 8.4990 -11.6960 12.1350 O.2 4 ARG4 -0.2778 54 CB 10.4008 -13.7534 10.5883 C.3 4 ARG4 -0.0258 55 HB1 9.7739 -13.1297 9.9501 H 4 ARG4 0.0286 56 HB2 11.3720 -13.2593 10.6056 H 4 ARG4 0.0286 57 CG 10.5343 -15.1373 9.8793 C.3 4 ARG4 -0.0154 58 HG1 9.6050 -15.6960 9.9737 H 4 ARG4 0.0299 59 HG2 10.6323 -14.9420 8.8105 H 4 ARG4 0.0299 60 CD 11.7329 -16.0353 10.2788 C.3 4 ARG4 0.1045 61 HD1 12.6732 -15.5142 10.0847 H 4 ARG4 0.0711 62 HD2 11.6891 -16.2871 11.3394 H 4 ARG4 0.0711 63 NE 11.7230 -17.2977 9.4999 N.pl3 4 ARG4 -0.4450 64 HE 10.8694 -17.5804 9.0638 H 4 ARG4 0.3153 65 CZ 12.7632 -18.1285 9.2895 C.cat 4 ARG4 0.5062 66 NH1 13.9410 -17.8906 9.8032 N.pl3 4 ARG4 -0.4573 67 HH11 14.1042 -17.0754 10.3560 H 4 ARG4 0.3114 68 HH12 14.6869 -18.5352 9.6298 H 4 ARG4 0.3114 69 NH2 12.6320 -19.2088 8.5520 N.pl3 4 ARG4 -0.4573 70 HH21 13.4074 -19.8208 8.3799 H 4 ARG4 0.3114 71 HH22 11.7763 -19.4699 8.1048 H 4 ARG4 0.3114 72 N 10.4110 -11.8430 13.3630 N.am 5 GLN5 -0.2456 73 H 11.2010 -12.4340 13.6230 H 5 GLN5 0.1312 74 CA 10.3170 -10.5010 13.9420 C.3 5 GLN5 0.0882 75 HA 9.5092 -9.9396 13.4770 H 5 GLN5 0.0557 76 C 11.6530 -9.8300 13.6660 C.2 5 GLN5 0.2187 77 O 12.6860 -10.3440 14.0630 O.2 5 GLN5 -0.2778 78 CB 10.1180 -10.6314 15.4690 C.3 5 GLN5 -0.0210 79 HB1 10.3986 -9.6917 15.9484 H 5 GLN5 0.0289 80 HB2 10.8063 -11.3792 15.8682 H 5 GLN5 0.0289 81 CG 8.6815 -10.9523 15.9212 C.3 5 GLN5 0.0225 82 HG1 8.6390 -10.9638 17.0104 H 5 GLN5 0.0356 83 HG2 8.0062 -10.1633 15.5900 H 5 GLN5 0.0356 84 CD 8.1571 -12.3128 15.4286 C.2 5 GLN5 0.1981 85 OE1 8.7494 -13.3606 15.6470 O.2 5 GLN5 -0.2798 86 NE2 7.0037 -12.2309 14.7480 N.am 5 GLN5 -0.2724 87 HE21 6.5969 -13.0711 14.3944 H 5 GLN5 0.1266 88 HE22 6.5620 -11.3496 14.5926 H 5 GLN5 0.1266 89 N 11.6410 -8.6950 12.9660 N.am 6 VAL6 -0.2454 90 H 10.7590 -8.3390 12.5980 H 6 VAL6 0.1312 91 CA 12.8870 -7.9510 12.7190 C.3 6 VAL6 0.0901 92 HA 13.7331 -8.6396 12.7673 H 6 VAL6 0.0560 93 C 13.0260 -6.9250 13.8260 C.2 6 VAL6 0.2189 94 O 12.2680 -5.9490 13.8660 O.2 6 VAL6 -0.2778 95 CB 12.8576 -7.2690 11.3353 C.3 6 VAL6 -0.0227 96 HB 12.0720 -6.5140 11.3447 H 6 VAL6 0.0315 97 CG1 14.1894 -6.5572 11.0442 C.3 6 VAL6 -0.0608 98 HG11 14.4048 -5.7937 11.7908 H 6 VAL6 0.0233 99 HG12 14.1733 -6.0686 10.0697 H 6 VAL6 0.0233 100 HG13 15.0216 -7.2618 11.0545 H 6 VAL6 0.0233 101 CG2 12.5253 -8.2569 10.2052 C.3 6 VAL6 -0.0608 102 HG21 11.5441 -8.7120 10.3414 H 6 VAL6 0.0233 103 HG22 13.2627 -9.0572 10.1488 H 6 VAL6 0.0233 104 HG23 12.5148 -7.7516 9.2389 H 6 VAL6 0.0233 105 N 13.9730 -7.1500 14.7360 N.am 7 GLU7 -0.2456 106 H 14.5330 -8.0010 14.6790 H 7 GLU7 0.1312 107 CA 14.2210 -6.1930 15.8180 C.3 7 GLU7 0.0883 108 HA 13.2390 -5.8110 16.1820 H 7 GLU7 0.0557 109 C 15.0170 -5.0170 15.2510 C.2 7 GLU7 0.2187 110 O 16.1560 -5.1830 14.8110 O.2 7 GLU7 -0.2778 111 CB 14.9420 -6.8700 16.9900 C.3 7 GLU7 -0.0193 112 HB1 15.9300 -7.2800 16.6740 H 7 GLU7 0.0290 113 HB2 15.1390 -6.0850 17.7570 H 7 GLU7 0.0290 114 CG 14.0900 -7.9380 17.6460 C.3 7 GLU7 0.0356 115 HG1 13.2140 -7.4820 18.1640 H 7 GLU7 0.0374 116 HG2 13.6910 -8.5870 16.8320 H 7 GLU7 0.0374 117 CD 14.8630 -8.8260 18.5850 C.2 7 GLU7 0.1760 118 OE1 15.8600 -9.4580 18.1620 O.co2 7 GLU7 -0.6478 119 OE2 14.4680 -8.9500 19.7600 O.co2 7 GLU7 -0.6478 120 N 14.4000 -3.8390 15.2390 N.am 8 LEU8 -0.2456 121 H 13.4880 -3.7480 15.6860 H 8 LEU8 0.1312 122 CA 15.0010 -2.6750 14.5990 C.3 8 LEU8 0.0880 123 HA 15.8080 -3.0102 13.9492 H 8 LEU8 0.0557 124 C 15.5680 -1.6080 15.5160 C.2 8 LEU8 0.2187 125 O 14.9480 -1.2320 16.5320 O.2 8 LEU8 -0.2778 126 CB 13.9204 -1.9678 13.7480 C.3 8 LEU8 -0.0266 127 HB1 14.3068 -1.0226 13.3595 H 8 LEU8 0.0287 128 HB2 13.0829 -1.7012 14.3934 H 8 LEU8 0.0287 129 CG 13.3843 -2.7748 12.5543 C.3 8 LEU8 -0.0449 130 HG 13.0131 -3.7341 12.9147 H 8 LEU8 0.0296 131 CD1 12.2126 -2.0370 11.8956 C.3 8 LEU8 -0.0626 132 HD11 11.8199 -2.6042 11.0520 H 8 LEU8 0.0232 133 HD12 12.5226 -1.0604 11.5225 H 8 LEU8 0.0232 134 HD13 11.3998 -1.8797 12.6054 H 8 LEU8 0.0232 135 CD2 14.4832 -3.0386 11.5213 C.3 8 LEU8 -0.0626 136 HD21 15.2801 -3.6301 11.9640 H 8 LEU8 0.0232 137 HD22 14.9194 -2.1090 11.1543 H 8 LEU8 0.0232 138 HD23 14.0978 -3.5904 10.6637 H 8 LEU8 0.0232 139 N 16.7140 -1.0670 15.0980 N.am 9 LEU9 -0.2456 140 H 17.2800 -1.5810 14.4220 H 9 LEU9 0.1312 141 CA 17.1920 0.2310 15.5680 C.3 9 LEU9 0.0880 142 HA 16.6774 0.4766 16.4972 H 9 LEU9 0.0557 143 C 16.8480 1.2690 14.5200 C.2 9 LEU9 0.2187 144 O 17.1310 1.0740 13.3390 O.2 9 LEU9 -0.2778 145 CB 18.7123 0.1880 15.8210 C.3 9 LEU9 -0.0266 146 HB1 19.1921 -0.3457 14.9992 H 9 LEU9 0.0287 147 HB2 18.8961 -0.4030 16.7154 H 9 LEU9 0.0287 148 CG 19.3865 1.5706 15.9752 C.3 9 LEU9 -0.0449 149 HG 19.2025 2.1256 15.0598 H 9 LEU9 0.0296 150 CD1 18.8238 2.3894 17.1441 C.3 9 LEU9 -0.0626 151 HD11 19.2908 3.3725 17.1832 H 9 LEU9 0.0232 152 HD12 19.0111 1.8946 18.0946 H 9 LEU9 0.0232 153 HD13 17.7529 2.5516 17.0552 H 9 LEU9 0.0232 154 CD2 20.9072 1.4549 16.1077 C.3 9 LEU9 -0.0626 155 HD21 21.3763 2.4367 16.0617 H 9 LEU9 0.0232 156 HD22 21.3353 0.8443 15.3122 H 9 LEU9 0.0232 157 HD23 21.1778 1.0165 17.0657 H 9 LEU9 0.0232 158 N 16.2010 2.3540 14.9480 N.am 10 LEU10 -0.2456 159 H 15.8600 2.3770 15.9090 H 10 LEU10 0.1312 160 CA 15.9610 3.5210 14.0810 C.3 10 LEU10 0.0880 161 HA 16.2009 3.2615 13.0477 H 10 LEU10 0.0557 162 C 16.8620 4.6500 14.5360 C.2 10 LEU10 0.2187 163 O 16.8420 5.0310 15.7120 O.2 10 LEU10 -0.2778 164 CB 14.4837 3.9481 14.1932 C.3 10 LEU10 -0.0266 165 HB1 14.2857 4.7517 13.4820 H 10 LEU10 0.0287 166 HB2 14.3071 4.3723 15.1832 H 10 LEU10 0.0287 167 CG 13.4634 2.8118 13.9789 C.3 10 LEU10 -0.0449 168 HG 13.6313 2.0493 14.7401 H 10 LEU10 0.0296 169 CD1 12.0337 3.3354 14.1770 C.3 10 LEU10 -0.0626 170 HD11 11.3057 2.5320 14.0749 H 10 LEU10 0.0232 171 HD12 11.7860 4.1029 13.4430 H 10 LEU10 0.0232 172 HD13 11.9054 3.7686 15.1695 H 10 LEU10 0.0232 173 CD2 13.6063 2.1355 12.6074 C.3 10 LEU10 -0.0626 174 HD21 14.5980 1.7044 12.4708 H 10 LEU10 0.0232 175 HD22 13.4307 2.8419 11.7973 H 10 LEU10 0.0232 176 HD23 12.8857 1.3243 12.5001 H 10 LEU10 0.0232 177 N 17.6430 5.1690 13.5970 N.am 11 VAL11 -0.2454 178 H 17.5900 4.7910 12.6510 H 11 VAL11 0.1312 179 CA 18.5740 6.2590 13.8640 C.3 11 VAL11 0.0901 180 HA 18.4784 6.5497 14.9061 H 11 VAL11 0.0560 181 C 18.2390 7.4510 12.9670 C.2 11 VAL11 0.2189 182 O 18.0280 7.2870 11.7700 O.2 11 VAL11 -0.2778 183 CB 20.0210 5.8002 13.5849 C.3 11 VAL11 -0.0227 184 HB 20.1615 5.7020 12.5073 H 11 VAL11 0.0315 185 CG1 21.0482 6.8224 14.0997 C.3 11 VAL11 -0.0608 186 HG11 20.9212 7.7921 13.6181 H 11 VAL11 0.0233 187 HG12 22.0673 6.4914 13.8975 H 11 VAL11 0.0233 188 HG13 20.9531 6.9716 15.1758 H 11 VAL11 0.0233 189 CG2 20.2948 4.4187 14.1820 C.3 11 VAL11 -0.0608 190 HG21 21.3387 4.1470 14.0708 H 11 VAL11 0.0233 191 HG22 19.7182 3.6520 13.6654 H 11 VAL11 0.0233 192 HG23 20.0512 4.3913 15.2435 H 11 VAL11 0.0233 193 N 18.1980 8.6430 13.5450 N.am 12 ALA12 -0.2459 194 H 18.3530 8.7150 14.5510 H 12 ALA12 0.1312 195 CA 17.9370 9.8530 12.7770 C.3 12 ALA12 0.0850 196 HA 17.8926 9.6253 11.7099 H 12 ALA12 0.0554 197 C 19.0730 10.8300 13.0020 C.2 12 ALA12 0.2184 198 O 19.5040 10.9950 14.1340 O.2 12 ALA12 -0.2778 199 CB 16.5962 10.4128 13.2504 C.3 12 ALA12 -0.0411 200 HB1 16.3557 11.3569 12.7696 H 12 ALA12 0.0249 201 HB2 16.5970 10.5653 14.3297 H 12 ALA12 0.0249 202 HB3 15.7964 9.7130 13.0116 H 12 ALA12 0.0249 203 N 19.5410 11.4910 11.9410 N.am 13 ASP13 -0.2451 204 H 19.1120 11.3370 11.0280 H 13 ASP13 0.1312 205 CA 20.6540 12.4300 12.0580 C.3 13 ASP13 0.0974 206 HA 21.2843 12.0810 12.8692 H 13 ASP13 0.0563 207 C 20.1550 13.8370 12.4080 C.2 13 ASP13 0.2192 208 O 18.9430 14.0730 12.5450 O.2 13 ASP13 -0.2778 209 CB 21.4987 12.4467 10.7468 C.3 13 ASP13 0.0576 210 HB1 22.5582 12.4849 10.9983 H 13 ASP13 0.0394 211 HB2 21.3564 11.5224 10.1871 H 13 ASP13 0.0394 212 CG 21.2125 13.6403 9.7982 C.2 13 ASP13 0.1780 213 OD1 20.2092 13.6094 9.1027 O.co2 13 ASP13 -0.6478 214 OD2 21.9853 14.6020 9.7804 O.co2 13 ASP13 -0.6478 215 N 21.0970 14.7680 12.5390 N.am 14 ALA14 -0.2459 216 H 22.0670 14.5170 12.3460 H 14 ALA14 0.1312 217 CA 20.7920 16.1370 12.9500 C.3 14 ALA14 0.0850 218 HA 20.3200 16.0632 13.9315 H 14 ALA14 0.0554 219 C 19.8180 16.8500 12.0090 C.2 14 ALA14 0.2185 220 O 18.9760 17.6190 12.4720 O.2 14 ALA14 -0.2778 221 CB 22.1071 16.9148 13.0567 C.3 14 ALA14 -0.0411 222 HB1 22.7726 16.4405 13.7786 H 14 ALA14 0.0249 223 HB2 21.9406 17.9411 13.3848 H 14 ALA14 0.0249 224 HB3 22.6288 16.9399 12.0994 H 14 ALA14 0.0249 225 N 19.9070 16.5680 10.7080 N.am 15 SER15 -0.2436 226 H 20.6380 15.9370 10.3810 H 15 SER15 0.1312 227 CA 18.9700 17.1510 9.7380 C.3 15 SER15 0.1109 228 HA 19.0079 18.2270 9.8710 H 15 SER15 0.0580 229 C 17.5180 16.7430 10.0170 C.2 15 SER15 0.2209 230 O 16.5950 17.5420 9.8480 O.2 15 SER15 -0.2777 231 CB 19.3998 16.8403 8.2990 C.3 15 SER15 0.0681 232 HB1 19.0846 17.6514 7.6422 H 15 SER15 0.0577 233 HB2 20.4900 16.7726 8.1979 H 15 SER15 0.0577 234 OG 18.7824 15.6787 7.8060 O.3 15 SER15 -0.3930 235 HG 19.1178 14.9126 8.2744 H 15 SER15 0.2095 236 N 17.3220 15.4950 10.4570 N.am 16 MET16 -0.2456 237 H 18.1190 14.8610 10.5180 H 16 MET16 0.1312 238 CA 15.9960 15.0100 10.8540 C.3 16 MET16 0.0886 239 HA 15.3157 15.1940 10.0214 H 16 MET16 0.0557 240 C 15.4770 15.7400 12.0960 C.2 16 MET16 0.2187 241 O 14.2940 16.0980 12.1660 O.2 16 MET16 -0.2778 242 CB 16.0799 13.5075 11.1620 C.3 16 MET16 -0.0199 243 HB1 16.7435 13.3487 12.0095 H 16 MET16 0.0293 244 HB2 15.1024 13.1410 11.4735 H 16 MET16 0.0293 245 CG 16.5743 12.6587 9.9871 C.3 16 MET16 -0.0047 246 HG1 17.5631 12.9676 9.6473 H 16 MET16 0.0377 247 HG2 16.6808 11.6242 10.3124 H 16 MET16 0.0377 248 SD 15.4124 12.7079 8.6124 S.3 16 MET16 -0.1641 249 CE 14.0742 11.7312 9.3285 C.3 16 MET16 -0.0181 250 HE1 13.5927 11.1400 8.5502 H 16 MET16 0.0340 251 HE2 13.3254 12.3797 9.7806 H 16 MET16 0.0340 252 HE3 14.4520 11.0360 10.0778 H 16 MET16 0.0340 253 N 16.3700 15.9550 13.0600 N.am 17 ALA17 -0.2459 254 H 17.3180 15.5980 12.9430 H 17 ALA17 0.1312 255 CA 16.0340 16.6880 14.2850 C.3 17 ALA17 0.0850 256 HA 15.1679 16.1971 14.7284 H 17 ALA17 0.0554 257 C 15.6350 18.1350 13.9980 C.2 17 ALA17 0.2184 258 O 14.6820 18.6420 14.5840 O.2 17 ALA17 -0.2778 259 CB 17.2241 16.6146 15.2477 C.3 17 ALA17 -0.0411 260 HB1 16.9945 17.0944 16.1993 H 17 ALA17 0.0249 261 HB2 18.1077 17.0978 14.8312 H 17 ALA17 0.0249 262 HB3 17.4855 15.5765 15.4559 H 17 ALA17 0.0249 263 N 16.3490 18.7810 13.0860 N.am 18 ARG18 -0.2457 264 H 17.1410 18.3150 12.6430 H 18 ARG18 0.1312 265 CA 16.0140 20.1540 12.7080 C.3 18 ARG18 0.0879 266 HA 15.9373 20.7533 13.6173 H 18 ARG18 0.0557 267 C 14.6720 20.2150 11.9570 C.2 18 ARG18 0.2187 268 O 13.8850 21.1490 12.1500 O.2 18 ARG18 -0.2778 269 CB 17.1649 20.6519 11.7993 C.3 18 ARG18 -0.0258 270 HB1 16.8812 21.5936 11.3270 H 18 ARG18 0.0286 271 HB2 17.3117 19.9374 10.9875 H 18 ARG18 0.0286 272 CG 18.5015 20.8627 12.5440 C.3 18 ARG18 -0.0154 273 HG1 18.7337 20.0057 13.1759 H 18 ARG18 0.0299 274 HG2 18.3681 21.6991 13.2310 H 18 ARG18 0.0299 275 CD 19.7080 21.1631 11.6255 C.3 18 ARG18 0.1045 276 HD1 20.4692 21.7154 12.1820 H 18 ARG18 0.0711 277 HD2 19.4067 21.7625 10.7629 H 18 ARG18 0.0711 278 NE 20.3402 19.9238 11.1566 N.pl3 18 ARG18 -0.4450 279 HE 19.9951 19.0584 11.5201 H 18 ARG18 0.3153 280 CZ 21.3485 19.8376 10.2814 C.cat 18 ARG18 0.5062 281 NH1 21.8616 20.9092 9.7403 N.pl3 18 ARG18 -0.4573 282 HH11 22.6092 20.8209 9.0853 H 18 ARG18 0.3114 283 HH12 21.5039 21.8058 9.9819 H 18 ARG18 0.3114 284 NH2 21.8442 18.6725 9.9452 N.pl3 18 ARG18 -0.4573 285 HH21 21.4861 17.8197 10.3286 H 18 ARG18 0.3114 286 HH22 22.5942 18.5975 9.2903 H 18 ARG18 0.3114 287 N 14.4130 19.2300 11.0980 N.am 19 LYS19 -0.2457 288 H 15.0970 18.4830 10.9720 H 19 LYS19 0.1312 289 CA 13.1630 19.1990 10.3300 C.3 19 LYS19 0.0878 290 HA 13.0502 20.1932 9.8942 H 19 LYS19 0.0557 291 C 11.9190 18.9440 11.1980 C.2 19 LYS19 0.2187 292 O 10.9070 19.6330 11.0470 O.2 19 LYS19 -0.2778 293 CB 13.3296 18.1663 9.1952 C.3 19 LYS19 -0.0289 294 HB1 14.0390 18.5492 8.4609 H 19 LYS19 0.0285 295 HB2 13.7892 17.2641 9.6040 H 19 LYS19 0.0285 296 CG 12.0236 17.7549 8.4984 C.3 19 LYS19 -0.0496 297 HG1 12.2301 17.0170 7.7220 H 19 LYS19 0.0266 298 HG2 11.4236 17.2375 9.2387 H 19 LYS19 0.0266 299 CD 11.1965 18.9067 7.9079 C.3 19 LYS19 -0.0278 300 HD1 11.3561 19.8301 8.4637 H 19 LYS19 0.0282 301 HD2 11.5295 19.1120 6.8898 H 19 LYS19 0.0282 302 CE 9.6967 18.5822 7.9265 C.3 19 LYS19 0.1103 303 HE1 9.1292 19.3899 7.4599 H 19 LYS19 0.0559 304 HE2 9.4895 17.6666 7.3662 H 19 LYS19 0.0559 305 NZ 9.2049 18.4074 9.2967 N.4 19 LYS19 -0.0749 306 HZ1 8.1694 18.3134 9.2995 H 19 LYS19 0.2742 307 HZ2 9.4880 19.2235 9.8827 H 19 LYS19 0.2742 308 HZ3 9.6283 17.5502 9.7096 H 19 LYS19 0.2742 309 N 11.9910 17.9540 12.0880 N.am 20 TYR20 -0.2453 310 H 12.8930 17.5100 12.2630 H 20 TYR20 0.1312 311 CA 10.8080 17.4820 12.8260 C.3 20 TYR20 0.0917 312 HA 9.9131 17.8606 12.3323 H 20 TYR20 0.0560 313 C 10.7200 17.9700 14.2660 C.2 20 TYR20 0.2188 314 O 9.6550 17.9020 14.8890 O.2 20 TYR20 -0.2778 315 CB 10.7426 15.9453 12.8650 C.3 20 TYR20 -0.0036 316 HB1 11.6677 15.5315 13.2696 H 20 TYR20 0.0333 317 HB2 9.9357 15.5994 13.5140 H 20 TYR20 0.0333 318 CG 10.4932 15.3998 11.4943 C.ar 20 TYR20 -0.0453 319 CD1 11.5564 14.9280 10.7439 C.ar 20 TYR20 -0.0561 320 HD1 12.5474 14.8677 11.1636 H 20 TYR20 0.0621 321 CD2 9.2208 15.4360 10.9303 C.ar 20 TYR20 -0.0561 322 HD2 8.3766 15.7600 11.5223 H 20 TYR20 0.0621 323 CE1 11.3789 14.6053 9.4149 C.ar 20 TYR20 -0.0317 324 HE1 12.2559 14.3475 8.8528 H 20 TYR20 0.0643 325 CE2 9.0380 15.0922 9.5965 C.ar 20 TYR20 -0.0317 326 HE2 8.0582 15.1318 9.1437 H 20 TYR20 0.0643 327 CZ 10.1284 14.7195 8.8253 C.ar 20 TYR20 0.0726 328 OH 9.9700 14.5235 7.4710 O.3 20 TYR20 -0.3598 329 HH 10.5034 13.7736 7.1944 H 20 TYR20 0.2173 330 N 11.8470 18.4450 14.7850 N.am 21 GLY21 -0.2485 331 H 12.6840 18.4850 14.2040 H 21 GLY21 0.1309 332 CA 11.9170 18.9100 16.1650 C.3 21 GLY21 0.0765 333 HA1 11.2544 19.7703 16.2685 H 21 GLY21 0.0521 334 HA2 12.9445 19.2157 16.3583 H 21 GLY21 0.0521 335 C 11.5250 17.7950 17.1030 C.2 21 GLY21 0.2155 336 O 11.9130 16.6410 16.9050 O.2 21 GLY21 -0.2781 337 N 10.7210 18.1260 18.1040 N.am 22 ARG22 -0.2459 338 H 10.3550 19.0760 18.1620 H 22 ARG22 0.1312 339 CA 10.3530 17.1510 19.1230 C.3 22 ARG22 0.0879 340 HA 11.2515 16.5853 19.3784 H 22 ARG22 0.0557 341 C 9.3080 16.1380 18.6460 C.2 22 ARG22 0.2185 342 O 9.0260 15.1590 19.3380 O.2 22 ARG22 -0.2778 343 CB 9.8359 17.8836 20.3732 C.3 22 ARG22 -0.0258 344 HB1 9.4458 17.1550 21.0862 H 22 ARG22 0.0286 345 HB2 8.9953 18.5243 20.1019 H 22 ARG22 0.0286 346 CG 10.9208 18.7134 21.0763 C.3 22 ARG22 -0.0154 347 HG1 11.3014 19.4795 20.3999 H 22 ARG22 0.0299 348 HG2 11.7659 18.0669 21.3137 H 22 ARG22 0.0299 349 CD 10.4004 19.3793 22.3590 C.3 22 ARG22 0.1045 350 HD1 9.9615 18.6571 23.0525 H 22 ARG22 0.0711 351 HD2 9.6168 20.1030 22.1205 H 22 ARG22 0.0711 352 NE 11.4719 20.1165 23.0362 N.pl3 22 ARG22 -0.4450 353 HE 11.5367 21.1033 22.8895 H 22 ARG22 0.3153 354 CZ 12.3765 19.5636 23.8435 C.cat 22 ARG22 0.5062 355 NH1 12.3752 18.2803 24.0933 N.pl3 22 ARG22 -0.4573 356 HH11 13.0569 17.8790 24.7012 H 22 ARG22 0.3114 357 HH12 11.6842 17.6992 23.6713 H 22 ARG22 0.3114 358 NH2 13.2858 20.3191 24.3991 N.pl3 22 ARG22 -0.4573 359 HH21 13.9700 19.9194 25.0055 H 22 ARG22 0.3114 360 HH22 13.3012 21.3005 24.2210 H 22 ARG22 0.3114 361 N 8.7670 16.3610 17.4480 N.am 23 GLY23 -0.2485 362 H 8.9510 17.2510 16.9860 H 23 GLY23 0.1309 363 CA 7.9180 15.3770 16.7690 C.3 23 GLY23 0.0765 364 HA1 7.3373 15.9247 16.0278 H 23 GLY23 0.0521 365 HA2 7.2238 14.9540 17.4968 H 23 GLY23 0.0521 366 C 8.6700 14.2490 16.0670 C.2 23 GLY23 0.2155 367 O 8.0420 13.3700 15.4730 O.2 23 GLY23 -0.2781 368 N 10.0010 14.2510 16.1670 N.am 24 LEU24 -0.2459 369 H 10.4480 14.9420 16.7700 H 24 LEU24 0.1312 370 CA 10.8480 13.2910 15.4370 C.3 24 LEU24 0.0880 371 HA 10.5902 13.4142 14.3845 H 24 LEU24 0.0557 372 C 10.5920 11.8200 15.7820 C.2 24 LEU24 0.2187 373 O 10.3580 11.0090 14.8750 O.2 24 LEU24 -0.2778 374 CB 12.3309 13.6567 15.6371 C.3 24 LEU24 -0.0266 375 HB1 12.5003 14.6672 15.2644 H 24 LEU24 0.0287 376 HB2 12.5434 13.6977 16.7062 H 24 LEU24 0.0287 377 CG 13.3345 12.6937 14.9648 C.3 24 LEU24 -0.0449 378 HG 13.2143 11.7045 15.4076 H 24 LEU24 0.0296 379 CD1 13.1060 12.5642 13.4517 C.3 24 LEU24 -0.0626 380 HD11 12.1126 12.1813 13.2199 H 24 LEU24 0.0232 381 HD12 13.8250 11.8743 13.0088 H 24 LEU24 0.0232 382 HD13 13.2203 13.5279 12.9566 H 24 LEU24 0.0232 383 CD2 14.7747 13.1322 15.2467 C.3 24 LEU24 -0.0626 384 HD21 14.9431 13.2813 16.3127 H 24 LEU24 0.0232 385 HD22 15.0059 14.0627 14.7354 H 24 LEU24 0.0232 386 HD23 15.4884 12.3885 14.8991 H 24 LEU24 0.0232 387 N 10.6310 11.4650 17.0670 N.am 25 GLN25 -0.2456 388 H 10.8070 12.1670 17.7860 H 25 GLN25 0.1312 389 CA 10.4200 10.0630 17.4470 C.3 25 GLN25 0.0882 390 HA 11.1952 9.4877 16.9386 H 25 GLN25 0.0557 391 C 9.0710 9.5570 16.9440 C.2 25 GLN25 0.2187 392 O 8.9930 8.4580 16.3880 O.2 25 GLN25 -0.2778 393 CB 10.5635 9.8772 18.9635 C.3 25 GLN25 -0.0210 394 HB1 9.8136 10.4734 19.4860 H 25 GLN25 0.0289 395 HB2 11.5342 10.2730 19.2656 H 25 GLN25 0.0289 396 CG 10.4537 8.3993 19.3898 C.3 25 GLN25 0.0225 397 HG1 11.1621 7.7845 18.8352 H 25 GLN25 0.0356 398 HG2 9.4570 8.0109 19.1810 H 25 GLN25 0.0356 399 CD 10.7363 8.2212 20.8860 C.2 25 GLN25 0.1981 400 OE1 11.1949 9.1270 21.5691 O.2 25 GLN25 -0.2798 401 NE2 10.4339 6.9985 21.3471 N.am 25 GLN25 -0.2724 402 HE21 10.5848 6.7838 22.3114 H 25 GLN25 0.1266 403 HE22 10.0554 6.2869 20.7552 H 25 GLN25 0.1266 404 N 8.0240 10.3640 17.1070 N.am 26 HIS26 -0.2453 405 H 8.1540 11.2600 17.5770 H 26 HIS26 0.1312 406 CA 6.6960 9.9960 16.6280 C.3 26 HIS26 0.0932 407 HA 6.4216 9.0752 17.1471 H 26 HIS26 0.0561 408 C 6.6840 9.7180 15.1250 C.2 26 HIS26 0.2190 409 O 6.0700 8.7510 14.6600 O.2 26 HIS26 -0.2778 410 CB 5.7088 11.1183 16.9829 C.3 26 HIS26 0.0146 411 HB1 5.7828 11.3596 18.0434 H 26 HIS26 0.0348 412 HB2 5.9320 12.0327 16.4325 H 26 HIS26 0.0348 413 CG 4.2917 10.6801 16.6877 C.ar 26 HIS26 0.0551 414 ND1 3.5128 10.0239 17.5722 N.ar 26 HIS26 -0.2469 415 CD2 3.5765 10.8174 15.4862 C.ar 26 HIS26 0.0047 416 HD2 3.9378 11.2783 14.5788 H 26 HIS26 0.0764 417 CE1 2.3592 9.7697 16.9323 C.ar 26 HIS26 0.0737 418 HE1 1.5286 9.2442 17.3823 H 26 HIS26 0.0963 419 NE2 2.3682 10.2382 15.6708 N.ar 26 HIS26 -0.2539 420 HE2 1.6471 10.1628 15.0119 H 26 HIS26 0.1339 421 N 7.3430 10.5870 14.3700 N.am 27 TYR27 -0.2453 422 H 7.7950 11.3880 14.8120 H 27 TYR27 0.1312 423 CA 7.4380 10.4250 12.9180 C.3 27 TYR27 0.0917 424 HA 6.4151 10.3939 12.5400 H 27 TYR27 0.0560 425 C 8.1180 9.0960 12.5760 C.2 27 TYR27 0.2190 426 O 7.5910 8.3090 11.7900 O.2 27 TYR27 -0.2778 427 CB 8.2068 11.6191 12.3272 C.3 27 TYR27 -0.0036 428 HB1 7.7087 12.5482 12.6042 H 27 TYR27 0.0333 429 HB2 9.2099 11.6762 12.7505 H 27 TYR27 0.0333 430 CG 8.2948 11.5535 10.8248 C.ar 27 TYR27 -0.0453 431 CD1 7.1360 11.5950 10.0549 C.ar 27 TYR27 -0.0561 432 HD1 6.1705 11.6841 10.5306 H 27 TYR27 0.0621 433 CD2 9.5268 11.4277 10.1861 C.ar 27 TYR27 -0.0561 434 HD2 10.4401 11.3882 10.7621 H 27 TYR27 0.0621 435 CE1 7.2045 11.4984 8.6723 C.ar 27 TYR27 -0.0317 436 HE1 6.3057 11.5138 8.0742 H 27 TYR27 0.0643 437 CE2 9.5970 11.3514 8.8001 C.ar 27 TYR27 -0.0317 438 HE2 10.5527 11.2633 8.3025 H 27 TYR27 0.0643 439 CZ 8.4334 11.3785 8.0454 C.ar 27 TYR27 0.0726 440 OH 8.4833 11.2817 6.6728 O.3 27 TYR27 -0.3598 441 HH 9.3882 11.3422 6.3752 H 27 TYR27 0.2173 442 N 9.2600 8.8350 13.2020 N.am 28 LEU28 -0.2456 443 H 9.6360 9.5080 13.8700 H 28 LEU28 0.1312 444 CA 9.9820 7.5930 12.9420 C.3 28 LEU28 0.0880 445 HA 10.2110 7.5728 11.8756 H 28 LEU28 0.0557 446 C 9.1460 6.3580 13.2610 C.2 28 LEU28 0.2187 447 O 9.1190 5.4110 12.4810 O.2 28 LEU28 -0.2778 448 CB 11.2766 7.5786 13.7787 C.3 28 LEU28 -0.0266 449 HB1 11.7840 6.6189 13.6672 H 28 LEU28 0.0287 450 HB2 11.0063 7.6532 14.8333 H 28 LEU28 0.0287 451 CG 12.2706 8.7073 13.4385 C.3 28 LEU28 -0.0449 452 HG 11.7398 9.6575 13.4257 H 28 LEU28 0.0296 453 CD1 13.3557 8.8113 14.5191 C.3 28 LEU28 -0.0626 454 HD11 14.0045 9.6675 14.3402 H 28 LEU28 0.0232 455 HD12 13.9776 7.9157 14.5446 H 28 LEU28 0.0232 456 HD13 12.9171 8.9413 15.5079 H 28 LEU28 0.0232 457 CD2 12.9064 8.5168 12.0546 C.3 28 LEU28 -0.0626 458 HD21 13.6191 9.3130 11.8371 H 28 LEU28 0.0232 459 HD22 12.1586 8.5268 11.2618 H 28 LEU28 0.0232 460 HD23 13.4407 7.5688 11.9995 H 28 LEU28 0.0232 461 N 8.4610 6.3620 14.3950 N.am 29 LEU29 -0.2456 462 H 8.5330 7.1590 15.0270 H 29 LEU29 0.1312 463 CA 7.5990 5.2270 14.7490 C.3 29 LEU29 0.0880 464 HA 8.2042 4.3258 14.6452 H 29 LEU29 0.0557 465 C 6.4080 5.0570 13.8090 C.2 29 LEU29 0.2187 466 O 5.9780 3.9220 13.5510 O.2 29 LEU29 -0.2778 467 CB 7.1496 5.3722 16.2132 C.3 29 LEU29 -0.0266 468 HB1 6.4246 4.5948 16.4606 H 29 LEU29 0.0287 469 HB2 6.6255 6.3229 16.3246 H 29 LEU29 0.0287 470 CG 8.3076 5.3049 17.2327 C.3 29 LEU29 -0.0449 471 HG 9.0772 6.0206 16.9459 H 29 LEU29 0.0296 472 CD1 7.8163 5.7046 18.6293 C.3 29 LEU29 -0.0626 473 HD11 8.6307 5.6809 19.3535 H 29 LEU29 0.0232 474 HD12 7.0429 5.0213 18.9829 H 29 LEU29 0.0232 475 HD13 7.3999 6.7122 18.6275 H 29 LEU29 0.0232 476 CD2 8.9604 3.9138 17.2846 C.3 29 LEU29 -0.0626 477 HD21 9.7410 3.8767 18.0452 H 29 LEU29 0.0232 478 HD22 9.4237 3.6452 16.3362 H 29 LEU29 0.0232 479 HD23 8.2301 3.1420 17.5331 H 29 LEU29 0.0232 480 N 5.8880 6.1720 13.2990 N.am 30 THR30 -0.2434 481 H 6.2380 7.0720 13.6270 H 30 THR30 0.1313 482 CA 4.8310 6.1530 12.2830 C.3 30 THR30 0.1135 483 HA 4.0154 5.5551 12.6904 H 30 THR30 0.0583 484 C 5.3280 5.4730 11.0010 C.2 30 THR30 0.2212 485 O 4.6490 4.5940 10.4500 O.2 30 THR30 -0.2777 486 CB 4.3339 7.5890 12.0091 C.3 30 THR30 0.0763 487 HB 5.1712 8.2346 11.7236 H 30 THR30 0.0611 488 OG1 3.6998 8.1210 13.1582 O.3 30 THR30 -0.3900 489 HG1 4.3070 8.1286 13.8958 H 30 THR30 0.2098 490 CG2 3.2946 7.6593 10.8834 C.3 30 THR30 -0.0370 491 HG21 2.9131 8.6750 10.7772 H 30 THR30 0.0255 492 HG22 2.4481 7.0049 11.0897 H 30 THR30 0.0255 493 HG23 3.7233 7.3714 9.9238 H 30 THR30 0.0255 494 N 6.5260 5.8520 10.5650 N.am 31 LEU31 -0.2456 495 H 7.0140 6.6200 11.0270 H 31 LEU31 0.1312 496 CA 7.1520 5.1720 9.4220 C.3 31 LEU31 0.0880 497 HA 6.4769 5.2945 8.5755 H 31 LEU31 0.0557 498 C 7.3020 3.6750 9.6510 C.2 31 LEU31 0.2187 499 O 6.9890 2.8830 8.7590 O.2 31 LEU31 -0.2778 500 CB 8.5288 5.7813 9.0938 C.3 31 LEU31 -0.0266 501 HB1 9.0072 5.1859 8.3137 H 31 LEU31 0.0287 502 HB2 9.1767 5.7034 9.9673 H 31 LEU31 0.0287 503 CG 8.5075 7.2459 8.6204 C.3 31 LEU31 -0.0449 504 HG 8.1035 7.8717 9.4153 H 31 LEU31 0.0296 505 CD1 9.9406 7.7171 8.3369 C.3 31 LEU31 -0.0626 506 HD11 9.9564 8.7433 7.9737 H 31 LEU31 0.0232 507 HD12 10.4109 7.0987 7.5722 H 31 LEU31 0.0232 508 HD13 10.5586 7.6708 9.2341 H 31 LEU31 0.0232 509 CD2 7.6330 7.4467 7.3748 C.3 31 LEU31 -0.0626 510 HD21 7.6970 8.4752 7.0175 H 31 LEU31 0.0232 511 HD22 6.5822 7.2457 7.5798 H 31 LEU31 0.0232 512 HD23 7.9524 6.7949 6.5626 H 31 LEU31 0.0232 513 N 7.7800 3.2880 10.8300 N.am 32 ALA32 -0.2459 514 H 8.0450 3.9890 11.5220 H 32 ALA32 0.1312 515 CA 7.9290 1.8680 11.1430 C.3 32 ALA32 0.0850 516 HA 8.5405 1.4236 10.3559 H 32 ALA32 0.0554 517 C 6.5750 1.1420 11.1780 C.2 32 ALA32 0.2185 518 O 6.4690 -0.0110 10.7510 O.2 32 ALA32 -0.2778 519 CB 8.6417 1.7414 12.4953 C.3 32 ALA32 -0.0411 520 HB1 8.8201 0.6979 12.7573 H 32 ALA32 0.0249 521 HB2 8.0596 2.1940 13.2991 H 32 ALA32 0.0249 522 HB3 9.6079 2.2449 12.4686 H 32 ALA32 0.0249 523 N 5.5430 1.8060 11.6900 N.am 33 SER33 -0.2436 524 H 5.6930 2.7420 12.0670 H 33 SER33 0.1312 525 CA 4.1940 1.2290 11.7280 C.3 33 SER33 0.1109 526 HA 4.2717 0.2656 12.2350 H 33 SER33 0.0580 527 C 3.6400 0.9780 10.3220 C.2 33 SER33 0.2209 528 O 3.0120 -0.0610 10.0580 O.2 33 SER33 -0.2777 529 CB 3.2906 2.1635 12.5431 C.3 33 SER33 0.0681 530 HB1 3.4096 3.1918 12.1924 H 33 SER33 0.0577 531 HB2 3.6395 2.1444 13.5857 H 33 SER33 0.0577 532 OG 1.9174 1.7933 12.4174 O.3 33 SER33 -0.3930 533 HG 1.4181 2.0749 13.1846 H 33 SER33 0.2095 534 N 3.8580 1.9330 9.4200 N.am 34 ILE34 -0.2453 535 H 4.3650 2.7750 9.6910 H 34 ILE34 0.1312 536 CA 3.3790 1.7890 8.0440 C.3 34 ILE34 0.0903 537 HA 2.3227 1.5213 8.0758 H 34 ILE34 0.0560 538 C 4.1420 0.6540 7.3590 C.2 34 ILE34 0.2189 539 O 3.5260 -0.2260 6.7490 O.2 34 ILE34 -0.2778 540 CB 3.5808 3.1229 7.2844 C.3 34 ILE34 -0.0201 541 HB 4.6332 3.3964 7.3823 H 34 ILE34 0.0318 542 CG1 2.7459 4.2636 7.8995 C.3 34 ILE34 -0.0514 543 HG11 2.7764 4.2161 8.9852 H 34 ILE34 0.0266 544 HG12 1.6977 4.1436 7.6245 H 34 ILE34 0.0266 545 CG2 3.2625 2.9877 5.7810 C.3 34 ILE34 -0.0605 546 HG21 3.4075 3.9301 5.2541 H 34 ILE34 0.0233 547 HG22 2.2297 2.6763 5.6239 H 34 ILE34 0.0233 548 HG23 3.9057 2.2576 5.2890 H 34 ILE34 0.0233 549 CD1 3.2361 5.6573 7.4876 C.3 34 ILE34 -0.0650 550 HD11 2.6413 6.4349 7.9666 H 34 ILE34 0.0230 551 HD12 3.1678 5.8110 6.4111 H 34 ILE34 0.0230 552 HD13 4.2752 5.8099 7.7813 H 34 ILE34 0.0230 553 N 5.4680 0.6530 7.5020 N.am 35 ALA35 -0.2459 554 H 5.9210 1.4160 8.0050 H 35 ALA35 0.1312 555 CA 6.2820 -0.4300 6.9450 C.3 35 ALA35 0.0850 556 HA 6.1054 -0.4426 5.8692 H 35 ALA35 0.0554 557 C 5.8750 -1.7860 7.5110 C.2 35 ALA35 0.2184 558 O 5.7900 -2.7760 6.7780 O.2 35 ALA35 -0.2778 559 CB 7.7611 -0.1393 7.2298 C.3 35 ALA35 -0.0411 560 HB1 8.4071 -0.9088 6.8049 H 35 ALA35 0.0249 561 HB2 7.9579 -0.0868 8.3014 H 35 ALA35 0.0249 562 HB3 8.0578 0.8154 6.7938 H 35 ALA35 0.0249 563 N 5.6020 -1.8380 8.8130 N.am 36 ASN36 -0.2452 564 H 5.7290 -1.0100 9.3960 H 36 ASN36 0.1312 565 CA 5.1220 -3.0770 9.4020 C.3 36 ASN36 0.0957 566 HA 5.8746 -3.8422 9.2030 H 36 ASN36 0.0562 567 C 3.7930 -3.5310 8.7860 C.2 36 ASN36 0.2191 568 O 3.6200 -4.7140 8.4870 O.2 36 ASN36 -0.2778 569 CB 4.9622 -2.8527 10.9195 C.3 36 ASN36 0.0446 570 HB1 4.3699 -1.9584 11.1086 H 36 ASN36 0.0375 571 HB2 5.9326 -2.6839 11.3849 H 36 ASN36 0.0375 572 CG 4.2681 -4.0246 11.6334 C.2 36 ASN36 0.2000 573 OD1 3.2383 -3.8686 12.2726 O.2 36 ASN36 -0.2797 574 ND2 4.8833 -5.2029 11.4799 N.am 36 ASN36 -0.2723 575 HD21 4.5093 -5.9998 11.9496 H 36 ASN36 0.1266 576 HD22 5.6985 -5.2829 10.9084 H 36 ASN36 0.1266 577 N 2.8630 -2.6040 8.5710 N.am 37 ARG37 -0.2456 578 H 3.0390 -1.6340 8.8330 H 37 ARG37 0.1312 579 CA 1.5870 -2.9770 7.9580 C.3 37 ARG37 0.0879 580 HA 1.1653 -3.7826 8.5621 H 37 ARG37 0.0557 581 C 1.8070 -3.5510 6.5540 C.2 37 ARG37 0.2187 582 O 1.1650 -4.5200 6.1660 O.2 37 ARG37 -0.2778 583 CB 0.6537 -1.7591 7.9895 C.3 37 ARG37 -0.0258 584 HB1 1.1990 -0.8686 7.6751 H 37 ARG37 0.0286 585 HB2 -0.1614 -1.8910 7.2761 H 37 ARG37 0.0286 586 CG 0.0544 -1.5608 9.3926 C.3 37 ARG37 -0.0154 587 HG1 0.8334 -1.6046 10.1551 H 37 ARG37 0.0299 588 HG2 -0.6078 -2.4026 9.5990 H 37 ARG37 0.0299 589 CD -0.7395 -0.2585 9.5437 C.3 37 ARG37 0.1045 590 HD1 -1.4865 -0.3595 10.3352 H 37 ARG37 0.0711 591 HD2 -1.2525 -0.0086 8.6121 H 37 ARG37 0.0711 592 NE 0.1549 0.8281 9.9481 N.pl3 37 ARG37 -0.4450 593 HE 1.0267 0.5933 10.3868 H 37 ARG37 0.3153 594 CZ -0.1052 2.1223 9.7972 C.cat 37 ARG37 0.5062 595 NH1 -1.1849 2.5378 9.1901 N.pl3 37 ARG37 -0.4573 596 HH11 -1.3656 3.5127 9.0880 H 37 ARG37 0.3114 597 HH12 -1.8297 1.8689 8.8305 H 37 ARG37 0.3114 598 NH2 0.7362 2.9968 10.2703 N.pl3 37 ARG37 -0.4573 599 HH21 0.6042 3.9741 10.1297 H 37 ARG37 0.3114 600 HH22 1.5245 2.6654 10.7919 H 37 ARG37 0.3114 601 N 2.7430 -2.9610 5.8170 N.am 38 LEU38 -0.2456 602 H 3.2290 -2.1390 6.1750 H 38 LEU38 0.1312 603 CA 3.0790 -3.4890 4.4890 C.3 38 LEU38 0.0880 604 HA 2.1534 -3.5421 3.9153 H 38 LEU38 0.0557 605 C 3.6400 -4.9110 4.5810 C.2 38 LEU38 0.2187 606 O 3.2460 -5.7810 3.8070 O.2 38 LEU38 -0.2778 607 CB 4.1041 -2.5757 3.7840 C.3 38 LEU38 -0.0266 608 HB1 4.4507 -3.0525 2.8652 H 38 LEU38 0.0287 609 HB2 4.9865 -2.4793 4.4169 H 38 LEU38 0.0287 610 CG 3.5822 -1.1694 3.4328 C.3 38 LEU38 -0.0449 611 HG 3.1703 -0.7156 4.3334 H 38 LEU38 0.0296 612 CD1 4.7300 -0.2689 2.9510 C.3 38 LEU38 -0.0626 613 HD11 5.5186 -0.1949 3.6988 H 38 LEU38 0.0232 614 HD12 4.3763 0.7422 2.7484 H 38 LEU38 0.0232 615 HD13 5.1799 -0.6533 2.0353 H 38 LEU38 0.0232 616 CD2 2.4690 -1.2183 2.3756 C.3 38 LEU38 -0.0626 617 HD21 1.5928 -1.7549 2.7376 H 38 LEU38 0.0232 618 HD22 2.8087 -1.7109 1.4641 H 38 LEU38 0.0232 619 HD23 2.1438 -0.2133 2.1057 H 38 LEU38 0.0232 620 N 4.5360 -5.1510 5.5380 N.am 39 TYR39 -0.2453 621 H 4.8500 -4.3850 6.1340 H 39 TYR39 0.1312 622 CA 5.0810 -6.5050 5.7490 C.3 39 TYR39 0.0917 623 HA 5.4459 -6.8417 4.7761 H 39 TYR39 0.0560 624 C 4.0470 -7.5360 6.1800 C.2 39 TYR39 0.2191 625 O 4.2540 -8.7430 6.0050 O.2 39 TYR39 -0.2778 626 CB 6.2461 -6.4492 6.7591 C.3 39 TYR39 -0.0036 627 HB1 6.3306 -7.3811 7.3200 H 39 TYR39 0.0333 628 HB2 6.0802 -5.6644 7.4982 H 39 TYR39 0.0333 629 CG 7.5618 -6.2440 6.0586 C.ar 39 TYR39 -0.0453 630 CD1 8.1817 -4.9993 6.0267 C.ar 39 TYR39 -0.0561 631 HD1 7.7430 -4.1617 6.5446 H 39 TYR39 0.0621 632 CD2 8.1599 -7.3112 5.3971 C.ar 39 TYR39 -0.0561 633 HD2 7.6965 -8.2854 5.4218 H 39 TYR39 0.0621 634 CE1 9.3643 -4.8200 5.3204 C.ar 39 TYR39 -0.0317 635 HE1 9.8468 -3.8564 5.3040 H 39 TYR39 0.0643 636 CE2 9.3274 -7.1292 4.6709 C.ar 39 TYR39 -0.0317 637 HE2 9.7654 -7.9519 4.1258 H 39 TYR39 0.0643 638 CZ 9.9246 -5.8804 4.6250 C.ar 39 TYR39 0.0726 639 OH 11.0705 -5.7029 3.8822 O.3 39 TYR39 -0.3598 640 HH 11.2178 -4.7801 3.7146 H 39 TYR39 0.2173 641 N 2.9380 -7.0560 6.7390 N.am 40 SER40 -0.2436 642 H 2.8330 -6.0470 6.8400 H 40 SER40 0.1312 643 CA 1.8660 -7.9290 7.2120 C.3 40 SER40 0.1109 644 HA 2.3248 -8.8260 7.5994 H 40 SER40 0.0580 645 C 0.9410 -8.3770 6.0900 C.2 40 SER40 0.2209 646 O 0.0980 -9.2650 6.2890 O.2 40 SER40 -0.2777 647 CB 1.1007 -7.2285 8.3400 C.3 40 SER40 0.0681 648 HB1 0.1959 -7.7913 8.5914 H 40 SER40 0.0577 649 HB2 0.7929 -6.2320 8.0011 H 40 SER40 0.0577 650 OG 1.9384 -7.1580 9.4921 O.3 40 SER40 -0.3930 651 HG 1.5760 -6.5567 10.1402 H 40 SER40 0.2095 652 N 1.0690 -7.7570 4.9150 N.am 41 HIS41 -0.2452 653 H 1.8110 -7.0680 4.7920 H 41 HIS41 0.1312 654 CA 0.1680 -8.0460 3.8030 C.3 41 HIS41 0.0932 655 HA -0.8439 -7.9015 4.1869 H 41 HIS41 0.0561 656 C 0.3180 -9.4800 3.3120 C.2 41 HIS41 0.2190 657 O 1.4330 -9.9780 3.1580 O.2 41 HIS41 -0.2778 658 CB 0.4479 -7.0423 2.6722 C.3 41 HIS41 0.0146 659 HB1 0.6272 -6.0508 3.0890 H 41 HIS41 0.0348 660 HB2 1.3414 -7.3099 2.1064 H 41 HIS41 0.0348 661 CG -0.7454 -6.9542 1.7466 C.ar 41 HIS41 0.0551 662 ND1 -1.1814 -7.9675 0.9678 N.ar 41 HIS41 -0.2469 663 CD2 -1.5994 -5.8558 1.5541 C.ar 41 HIS41 0.0047 664 HD2 -1.5144 -4.8891 2.0284 H 41 HIS41 0.0764 665 CE1 -2.2757 -7.5097 0.3395 C.ar 41 HIS41 0.0737 666 HE1 -2.8631 -8.1010 -0.3486 H 41 HIS41 0.0963 667 NE2 -2.5348 -6.2272 0.6508 N.ar 41 HIS41 -0.2539 668 HE2 -3.2612 -5.6703 0.3000 H 41 HIS41 0.1339 669 N -0.8150 -10.1360 3.0540 N.am 42 ALA42 -0.2459 670 H -1.7030 -9.6440 3.1510 H 42 ALA42 0.1312 671 CA -0.8240 -11.5380 2.6370 C.3 42 ALA42 0.0850 672 HA -0.4103 -12.1101 3.4685 H 42 ALA42 0.0554 673 C 0.0340 -11.8300 1.3980 C.2 42 ALA42 0.2185 674 O 0.5220 -12.9520 1.2300 O.2 42 ALA42 -0.2778 675 CB -2.2741 -11.9617 2.3805 C.3 42 ALA42 -0.0411 676 HB1 -2.8867 -11.8014 3.2676 H 42 ALA42 0.0249 677 HB2 -2.3391 -13.0193 2.1216 H 42 ALA42 0.0249 678 HB3 -2.7157 -11.3877 1.5650 H 42 ALA42 0.0249 679 N 0.2140 -10.8140 0.5490 N.am 43 SER43 -0.2436 680 H -0.1830 -9.9020 0.7770 H 43 SER43 0.1312 681 CA 0.9660 -10.9720 -0.7020 C.3 43 SER43 0.1109 682 HA 0.4857 -11.8006 -1.2248 H 43 SER43 0.0580 683 C 2.4270 -11.3870 -0.4910 C.2 43 SER43 0.2209 684 O 3.0570 -11.9040 -1.4090 O.2 43 SER43 -0.2777 685 CB 0.8726 -9.7223 -1.5887 C.3 43 SER43 0.0681 686 HB1 1.2881 -9.9697 -2.5738 H 43 SER43 0.0577 687 HB2 -0.1806 -9.4605 -1.7281 H 43 SER43 0.0577 688 OG 1.5562 -8.6168 -1.0145 O.3 43 SER43 -0.3930 689 HG 1.6738 -7.9138 -1.6452 H 43 SER43 0.2095 690 N 2.9640 -11.1930 0.7160 N.am 44 ILE44 -0.2453 691 H 2.4160 -10.7390 1.4460 H 44 ILE44 0.1312 692 CA 4.3310 -11.6260 1.0000 C.3 44 ILE44 0.0903 693 HA 4.9351 -11.4141 0.1158 H 44 ILE44 0.0560 694 C 4.4350 -13.1280 1.3200 C.2 44 ILE44 0.2189 695 O 5.5260 -13.6930 1.2890 O.2 44 ILE44 -0.2778 696 CB 4.8335 -10.7789 2.1911 C.3 44 ILE44 -0.0201 697 HB 4.4507 -9.7699 2.0472 H 44 ILE44 0.0318 698 CG1 6.3637 -10.6760 2.2092 C.3 44 ILE44 -0.0514 699 HG11 6.7207 -10.3720 1.2242 H 44 ILE44 0.0266 700 HG12 6.7868 -11.6616 2.4043 H 44 ILE44 0.0266 701 CG2 4.3007 -11.2715 3.5484 C.3 44 ILE44 -0.0605 702 HG21 4.4088 -10.5075 4.3147 H 44 ILE44 0.0233 703 HG22 4.8534 -12.1480 3.8819 H 44 ILE44 0.0233 704 HG23 3.2471 -11.5419 3.5011 H 44 ILE44 0.0233 705 CD1 6.8771 -9.6733 3.2481 C.3 44 ILE44 -0.0650 706 HD11 7.9564 -9.5474 3.1730 H 44 ILE44 0.0230 707 HD12 6.6534 -10.0064 4.2612 H 44 ILE44 0.0230 708 HD13 6.4206 -8.6934 3.1071 H 44 ILE44 0.0230 709 N 3.2900 -13.7460 1.6430 N.am 45 GLU45 -0.2456 710 H 2.4520 -13.1740 1.7450 H 45 GLU45 0.1312 711 CA 3.1640 -15.2070 1.8610 C.3 45 GLU45 0.0883 712 HA 2.1274 -15.3499 2.1648 H 45 GLU45 0.0557 713 C 4.0300 -15.7900 2.9770 C.2 45 GLU45 0.2187 714 O 4.2860 -16.9980 3.0160 O.2 45 GLU45 -0.2778 715 CB 3.3901 -15.9509 0.5218 C.3 45 GLU45 -0.0193 716 HB1 3.2187 -17.0193 0.6616 H 45 GLU45 0.0290 717 HB2 4.4373 -15.8576 0.2356 H 45 GLU45 0.0290 718 CG 2.4818 -15.4552 -0.6301 C.3 45 GLU45 0.0356 719 HG1 1.4380 -15.6727 -0.4107 H 45 GLU45 0.0374 720 HG2 2.5618 -14.3759 -0.7465 H 45 GLU45 0.0374 721 CD 2.8296 -16.0944 -1.9939 C.2 45 GLU45 0.1760 722 OE1 3.1786 -17.2680 -2.0572 O.co2 45 GLU45 -0.6478 723 OE2 2.7720 -15.4235 -3.0233 O.co2 45 GLU45 -0.6478 724 N 4.4590 -14.9200 3.8880 N.am 46 ASN46 -0.2452 725 H 4.1670 -13.9470 3.7990 H 46 ASN46 0.1312 726 CA 5.3150 -15.2760 4.9970 C.3 46 ASN46 0.0957 727 HA 5.1463 -16.3227 5.2560 H 46 ASN46 0.0562 728 C 4.9060 -14.3960 6.1640 C.2 46 ASN46 0.2191 729 O 4.2550 -13.3700 5.9710 O.2 46 ASN46 -0.2778 730 CB 6.7895 -14.9834 4.6385 C.3 46 ASN46 0.0446 731 HB1 7.4491 -15.2176 5.4736 H 46 ASN46 0.0375 732 HB2 6.9204 -13.9221 4.4208 H 46 ASN46 0.0375 733 CG 7.2971 -15.7558 3.4114 C.2 46 ASN46 0.2000 734 OD1 7.7216 -15.1700 2.4284 O.2 46 ASN46 -0.2797 735 ND2 7.2415 -17.0910 3.5189 N.am 46 ASN46 -0.2723 736 HD21 6.8897 -17.5641 4.3222 H 46 ASN46 0.1266 737 HD22 7.5597 -17.6268 2.7343 H 46 ASN46 0.1266 738 N 5.2590 -14.8170 7.3700 N.am 47 HIS47 -0.2453 739 H 5.7760 -15.6910 7.4640 H 47 HIS47 0.1312 740 CA 4.9230 -14.0560 8.5570 C.3 47 HIS47 0.0932 741 HA 4.0946 -13.3812 8.3349 H 47 HIS47 0.0561 742 C 6.1270 -13.2360 9.0010 C.2 47 HIS47 0.2190 743 O 7.0740 -13.7810 9.5880 O.2 47 HIS47 -0.2778 744 CB 4.4681 -15.0680 9.6218 C.3 47 HIS47 0.0146 745 HB1 3.6475 -15.6645 9.2221 H 47 HIS47 0.0348 746 HB2 5.2676 -15.7693 9.8514 H 47 HIS47 0.0348 747 CG 3.9897 -14.4044 10.8979 C.ar 47 HIS47 0.0551 748 ND1 4.6756 -13.4604 11.5795 N.ar 47 HIS47 -0.2469 749 CD2 2.8469 -14.7333 11.6465 C.ar 47 HIS47 0.0047 750 HD2 2.1107 -15.4835 11.3937 H 47 HIS47 0.0764 751 CE1 3.9926 -13.2464 12.7165 C.ar 47 HIS47 0.0737 752 HE1 4.3232 -12.5825 13.5038 H 47 HIS47 0.0963 753 NE2 2.8635 -13.9737 12.7658 N.ar 47 HIS47 -0.2539 754 HE2 2.2179 -14.0067 13.5043 H 47 HIS47 0.1339 755 N 6.0930 -11.9410 8.6890 N.am 48 ILE48 -0.2454 756 H 5.2830 -11.5810 8.1840 H 48 ILE48 0.1312 757 CA 7.1660 -11.0180 9.0400 C.3 48 ILE48 0.0903 758 HA 7.8149 -11.5026 9.7713 H 48 ILE48 0.0560 759 C 6.5940 -9.7630 9.6800 C.2 48 ILE48 0.2189 760 O 5.7070 -9.1150 9.1340 O.2 48 ILE48 -0.2778 761 CB 8.0026 -10.6586 7.7838 C.3 48 ILE48 -0.0201 762 HB 7.3384 -10.1891 7.0556 H 48 ILE48 0.0318 763 CG1 8.5927 -11.9250 7.1256 C.3 48 ILE48 -0.0514 764 HG11 9.2176 -12.4546 7.8443 H 48 ILE48 0.0266 765 HG12 7.7916 -12.6125 6.8544 H 48 ILE48 0.0266 766 CG2 9.1193 -9.6456 8.1192 C.3 48 ILE48 -0.0605 767 HG21 8.7234 -8.7244 8.5467 H 48 ILE48 0.0233 768 HG22 9.6752 -9.3465 7.2315 H 48 ILE48 0.0233 769 HG23 9.8296 -10.0638 8.8331 H 48 ILE48 0.0233 770 CD1 9.4106 -11.6561 5.8569 C.3 48 ILE48 -0.0650 771 HD11 9.7548 -12.5967 5.4311 H 48 ILE48 0.0230 772 HD12 10.2997 -11.0598 6.0586 H 48 ILE48 0.0230 773 HD13 8.8174 -11.1409 5.1007 H 48 ILE48 0.0230 774 N 7.1160 -9.4420 10.8550 N.am 49 ARG49 -0.2456 775 H 7.8210 -10.0590 11.2580 H 49 ARG49 0.1312 776 CA 6.7310 -8.2510 11.5970 C.3 49 ARG49 0.0879 777 HA 6.0899 -7.6232 10.9767 H 49 ARG49 0.0557 778 C 7.9890 -7.4780 11.9460 C.2 49 ARG49 0.2187 779 O 9.0530 -8.0640 12.1290 O.2 49 ARG49 -0.2778 780 CB 6.0301 -8.6536 12.9128 C.3 49 ARG49 -0.0258 781 HB1 6.7517 -9.1767 13.5442 H 49 ARG49 0.0286 782 HB2 5.7524 -7.7551 13.4668 H 49 ARG49 0.0286 783 CG 4.7920 -9.5625 12.7833 C.3 49 ARG49 -0.0154 784 HG1 5.0570 -10.4940 12.2823 H 49 ARG49 0.0299 785 HG2 4.5006 -9.8528 13.7933 H 49 ARG49 0.0299 786 CD 3.5692 -8.9113 12.1105 C.3 49 ARG49 0.1045 787 HD1 2.6319 -9.2248 12.5753 H 49 ARG49 0.0711 788 HD2 3.6034 -7.8220 12.1824 H 49 ARG49 0.0711 789 NE 3.5336 -9.2572 10.6919 N.pl3 49 ARG49 -0.4450 790 HE 3.9316 -8.6274 10.0211 H 49 ARG49 0.3153 791 CZ 3.0255 -10.3704 10.1738 C.cat 49 ARG49 0.5062 792 NH1 2.3461 -11.2130 10.9015 N.pl3 49 ARG49 -0.4573 793 HH11 1.9792 -12.0483 10.5019 H 49 ARG49 0.3114 794 HH12 2.1989 -11.0126 11.8650 H 49 ARG49 0.3114 795 NH2 3.2133 -10.6256 8.9089 N.pl3 49 ARG49 -0.4573 796 HH21 2.8016 -11.4187 8.4684 H 49 ARG49 0.3114 797 HH22 3.7844 -10.0006 8.3732 H 49 ARG49 0.3114 798 N 7.8480 -6.1640 12.0390 N.am 50 LEU50 -0.2456 799 H 6.9460 -5.7490 11.8070 H 50 LEU50 0.1312 800 CA 8.9320 -5.2940 12.4600 C.3 50 LEU50 0.0880 801 HA 9.8822 -5.8312 12.4151 H 50 LEU50 0.0557 802 C 8.6690 -4.8530 13.8970 C.2 50 LEU50 0.2187 803 O 7.5510 -4.4380 14.2120 O.2 50 LEU50 -0.2778 804 CB 8.9745 -4.0497 11.5514 C.3 50 LEU50 -0.0266 805 HB1 8.0913 -3.4370 11.7368 H 50 LEU50 0.0287 806 HB2 9.8249 -3.4353 11.8434 H 50 LEU50 0.0287 807 CG 9.0488 -4.3309 10.0371 C.3 50 LEU50 -0.0449 808 HG 8.1416 -4.8557 9.7349 H 50 LEU50 0.0296 809 CD1 9.0917 -3.0084 9.2577 C.3 50 LEU50 -0.0626 810 HD11 8.2279 -2.3860 9.4903 H 50 LEU50 0.0232 811 HD12 9.0970 -3.1799 8.1819 H 50 LEU50 0.0232 812 HD13 9.9864 -2.4353 9.5022 H 50 LEU50 0.0232 813 CD2 10.2467 -5.2133 9.6607 C.3 50 LEU50 -0.0626 814 HD21 10.1677 -6.2022 10.1119 H 50 LEU50 0.0232 815 HD22 11.1864 -4.7650 9.9850 H 50 LEU50 0.0232 816 HD23 10.3030 -5.3564 8.5811 H 50 LEU50 0.0232 817 N 9.6900 -4.9500 14.7480 N.am 51 ALA51 -0.2459 818 H 10.5750 -5.3280 14.4110 H 51 ALA51 0.1312 819 CA 9.5900 -4.5350 16.1480 C.3 51 ALA51 0.0850 820 HA 8.6170 -4.0729 16.3306 H 51 ALA51 0.0554 821 C 10.6730 -3.5070 16.4150 C.2 51 ALA51 0.2184 822 O 11.8560 -3.8320 16.2870 O.2 51 ALA51 -0.2778 823 CB 9.7741 -5.7541 17.0573 C.3 51 ALA51 -0.0411 824 HB1 9.7184 -5.4669 18.1082 H 51 ALA51 0.0249 825 HB2 10.7367 -6.2398 16.8903 H 51 ALA51 0.0249 826 HB3 8.9926 -6.4915 16.8743 H 51 ALA51 0.0249 827 N 10.3070 -2.2900 16.8080 N.am 52 VAL52 -0.2454 828 H 9.3190 -2.0580 16.9040 H 52 VAL52 0.1312 829 CA 11.3200 -1.2950 17.0990 C.3 52 VAL52 0.0901 830 HA 12.1489 -1.4195 16.4009 H 52 VAL52 0.0560 831 C 11.8290 -1.5100 18.5160 C.2 52 VAL52 0.2189 832 O 11.0430 -1.4780 19.4650 O.2 52 VAL52 -0.2778 833 CB 10.7301 0.1236 16.9332 C.3 52 VAL52 -0.0227 834 HB 9.8997 0.2371 17.6346 H 52 VAL52 0.0315 835 CG1 11.7661 1.2167 17.2536 C.3 52 VAL52 -0.0608 836 HG11 11.3523 2.2108 17.0861 H 52 VAL52 0.0233 837 HG12 12.6547 1.1140 16.6311 H 52 VAL52 0.0233 838 HG13 12.0846 1.1746 18.2948 H 52 VAL52 0.0233 839 CG2 10.1676 0.3349 15.5184 C.3 52 VAL52 -0.0608 840 HG21 9.7496 1.3365 15.4140 H 52 VAL52 0.0233 841 HG22 9.3668 -0.3691 15.2926 H 52 VAL52 0.0233 842 HG23 10.9447 0.2139 14.7631 H 52 VAL52 0.0233 843 N 13.1260 -1.7580 18.6620 N.am 53 VAL53 -0.2454 844 H 13.7320 -1.7770 17.8420 H 53 VAL53 0.1312 845 CA 13.6970 -2.0050 19.9940 C.3 53 VAL53 0.0901 846 HA 12.8849 -2.1130 20.7163 H 53 VAL53 0.0560 847 C 14.5570 -0.8580 20.5300 C.2 53 VAL53 0.2189 848 O 14.9320 -0.8580 21.7180 O.2 53 VAL53 -0.2778 849 CB 14.4836 -3.3372 19.9757 C.3 53 VAL53 -0.0227 850 HB 14.8956 -3.4896 20.9751 H 53 VAL53 0.0315 851 CG1 13.5525 -4.5286 19.6941 C.3 53 VAL53 -0.0608 852 HG11 12.7121 -4.5436 20.3888 H 53 VAL53 0.0233 853 HG12 14.0835 -5.4749 19.8002 H 53 VAL53 0.0233 854 HG13 13.1462 -4.4897 18.6825 H 53 VAL53 0.0233 855 CG2 15.6643 -3.3346 18.9889 C.3 53 VAL53 -0.0608 856 HG21 16.3329 -2.4907 19.1593 H 53 VAL53 0.0233 857 HG22 15.3193 -3.2880 17.9569 H 53 VAL53 0.0233 858 HG23 16.2568 -4.2444 19.0900 H 53 VAL53 0.0233 859 N 14.8640 0.1290 19.6770 N.am 54 LYS54 -0.2456 860 H 14.4800 0.1040 18.7320 H 54 LYS54 0.1312 861 CA 15.7300 1.2370 20.0600 C.3 54 LYS54 0.0878 862 HA 15.3755 1.5958 21.0285 H 54 LYS54 0.0557 863 C 15.5790 2.3460 19.0360 C.2 54 LYS54 0.2187 864 O 15.4360 2.0760 17.8380 O.2 54 LYS54 -0.2778 865 CB 17.1875 0.7398 20.1525 C.3 54 LYS54 -0.0289 866 HB1 17.2106 -0.1938 20.7157 H 54 LYS54 0.0285 867 HB2 17.5620 0.4894 19.1590 H 54 LYS54 0.0285 868 CG 18.1275 1.7293 20.8569 C.3 54 LYS54 -0.0496 869 HG1 17.7235 1.9496 21.8457 H 54 LYS54 0.0266 870 HG2 18.1497 2.6745 20.3144 H 54 LYS54 0.0266 871 CD 19.5554 1.1793 20.9977 C.3 54 LYS54 -0.0278 872 HD1 19.9878 1.0601 20.0037 H 54 LYS54 0.0282 873 HD2 19.5312 0.1800 21.4365 H 54 LYS54 0.0282 874 CE 20.4607 2.0886 21.8406 C.3 54 LYS54 0.1103 875 HE1 20.3146 3.1366 21.5738 H 54 LYS54 0.0559 876 HE2 21.5088 1.8450 21.6583 H 54 LYS54 0.0559 877 NZ 20.2213 1.9325 23.2713 N.4 54 LYS54 -0.0749 878 HZ1 20.7715 2.5829 23.8567 H 54 LYS54 0.2742 879 HZ2 20.4367 0.9581 23.5743 H 54 LYS54 0.2742 880 HZ3 19.2061 2.0038 23.5041 H 54 LYS54 0.2742 881 N 15.6060 3.5840 19.5220 N.am 55 VAL55 -0.2454 882 H 15.6280 3.7040 20.5350 H 55 VAL55 0.1312 883 CA 15.6060 4.7770 18.6870 C.3 55 VAL55 0.0901 884 HA 15.8365 4.4607 17.6733 H 55 VAL55 0.0560 885 C 16.7220 5.6890 19.1790 C.2 55 VAL55 0.2189 886 O 16.8650 5.9300 20.3920 O.2 55 VAL55 -0.2778 887 CB 14.2226 5.4659 18.7018 C.3 55 VAL55 -0.0227 888 HB 14.0218 5.8182 19.7149 H 55 VAL55 0.0315 889 CG1 14.1906 6.6827 17.7597 C.3 55 VAL55 -0.0608 890 HG11 13.2062 7.1509 17.7551 H 55 VAL55 0.0233 891 HG12 14.4231 6.3914 16.7347 H 55 VAL55 0.0233 892 HG13 14.9100 7.4446 18.0603 H 55 VAL55 0.0233 893 CG2 13.0945 4.4886 18.3248 C.3 55 VAL55 -0.0608 894 HG21 12.1301 4.9964 18.2871 H 55 VAL55 0.0233 895 HG22 12.9979 3.6793 19.0492 H 55 VAL55 0.0233 896 HG23 13.2703 4.0389 17.3471 H 55 VAL55 0.0233 897 N 17.5230 6.1830 18.2420 N.am 56 VAL56 -0.2454 898 H 17.3580 5.9270 17.2680 H 56 VAL56 0.1312 899 CA 18.6350 7.0820 18.5560 C.3 56 VAL56 0.0901 900 HA 18.5621 7.4013 19.5976 H 56 VAL56 0.0560 901 C 18.5460 8.3240 17.6760 C.2 56 VAL56 0.2189 902 O 18.3920 8.2160 16.4650 O.2 56 VAL56 -0.2778 903 CB 19.9677 6.3329 18.3206 C.3 56 VAL56 -0.0227 904 HB 19.9550 5.9337 17.3045 H 56 VAL56 0.0315 905 CG1 21.1936 7.2565 18.4379 C.3 56 VAL56 -0.0608 906 HG11 22.1216 6.6985 18.3177 H 56 VAL56 0.0233 907 HG12 21.2249 7.7481 19.4105 H 56 VAL56 0.0233 908 HG13 21.1866 8.0319 17.6718 H 56 VAL56 0.0233 909 CG2 20.1185 5.1440 19.2837 C.3 56 VAL56 -0.0608 910 HG21 21.0388 4.5943 19.0847 H 56 VAL56 0.0233 911 HG22 19.2939 4.4384 19.1919 H 56 VAL56 0.0233 912 HG23 20.1474 5.4821 20.3197 H 56 VAL56 0.0233 913 N 18.6000 9.4990 18.2930 N.am 57 VAL57 -0.2454 914 H 18.5600 9.5250 19.3120 H 57 VAL57 0.1312 915 CA 18.7150 10.7560 17.5550 C.3 57 VAL57 0.0901 916 HA 18.5543 10.5636 16.4920 H 57 VAL57 0.0560 917 C 20.1430 11.2740 17.7320 C.2 57 VAL57 0.2189 918 O 20.6290 11.4150 18.8610 O.2 57 VAL57 -0.2778 919 CB 17.6561 11.7689 18.0327 C.3 57 VAL57 -0.0227 920 HB 17.8321 11.9823 19.0881 H 57 VAL57 0.0315 921 CG1 17.7534 13.0938 17.2558 C.3 57 VAL57 -0.0608 922 HG11 18.7201 13.5767 17.4014 H 57 VAL57 0.0233 923 HG12 16.9880 13.7982 17.5815 H 57 VAL57 0.0233 924 HG13 17.6233 12.9322 16.1849 H 57 VAL57 0.0233 925 CG2 16.2379 11.1887 17.9027 C.3 57 VAL57 -0.0608 926 HG21 15.4883 11.9122 18.2237 H 57 VAL57 0.0233 927 HG22 16.1068 10.2966 18.5152 H 57 VAL57 0.0233 928 HG23 16.0176 10.9174 16.8696 H 57 VAL57 0.0233 929 N 20.8240 11.5300 16.6180 N.am 58 LEU58 -0.2456 930 H 20.3540 11.4250 15.7190 H 58 LEU58 0.1312 931 CA 22.2280 11.9580 16.6380 C.3 58 LEU58 0.0880 932 HA 22.7093 11.4613 17.4820 H 58 LEU58 0.0557 933 C 22.3510 13.4670 16.8350 C.2 58 LEU58 0.2185 934 O 21.4680 14.2280 16.4240 O.2 58 LEU58 -0.2778 935 CB 22.9214 11.5325 15.3299 C.3 58 LEU58 -0.0266 936 HB1 22.5405 12.1510 14.5206 H 58 LEU58 0.0287 937 HB2 23.9870 11.7581 15.3905 H 58 LEU58 0.0287 938 CG 22.7426 10.0447 14.9577 C.3 58 LEU58 -0.0449 939 HG 21.6797 9.8022 14.9445 H 58 LEU58 0.0296 940 CD1 23.2735 9.7700 13.5450 C.3 58 LEU58 -0.0626 941 HD11 23.1377 8.7242 13.2716 H 58 LEU58 0.0232 942 HD12 24.3357 10.0005 13.4753 H 58 LEU58 0.0232 943 HD13 22.7537 10.3693 12.7983 H 58 LEU58 0.0232 944 CD2 23.4273 9.1175 15.9708 C.3 58 LEU58 -0.0626 945 HD21 23.0294 9.2579 16.9750 H 58 LEU58 0.0232 946 HD22 24.4999 9.3048 16.0062 H 58 LEU58 0.0232 947 HD23 23.2820 8.0703 15.7039 H 58 LEU58 0.0232 948 N 23.4530 13.8840 17.4610 N.am 59 GLY59 -0.2485 949 H 24.1200 13.1880 17.7940 H 59 GLY59 0.1309 950 CA 23.7440 15.3020 17.6890 C.3 59 GLY59 0.0765 951 HA1 23.0792 15.6432 18.4836 H 59 GLY59 0.0521 952 HA2 23.5043 15.8469 16.7747 H 59 GLY59 0.0521 953 C 25.1960 15.5790 18.0530 C.2 59 GLY59 0.2155 954 O 26.1200 15.0880 17.3920 O.2 59 GLY59 -0.2781 955 N 25.3840 16.3590 19.1190 N.am 60 ASP60 -0.2454 956 H 24.5660 16.6370 19.6620 H 60 ASP60 0.1312 957 CA 26.7020 16.8400 19.5560 C.3 60 ASP60 0.0974 958 HA 27.2620 17.0986 18.6555 H 60 ASP60 0.0563 959 C 27.5380 15.8120 20.3380 C.2 60 ASP60 0.2192 960 O 28.4740 16.1800 21.0580 O.2 60 ASP60 -0.2778 961 CB 26.5064 18.0799 20.4050 C.3 60 ASP60 0.0576 962 CG 25.8374 17.6899 21.7211 C.2 60 ASP60 0.1780 963 OD1 25.5560 16.4728 21.8856 O.co2 60 ASP60 -0.6478 964 OD2 25.6141 18.6128 22.5494 O.co2 60 ASP60 -0.6478 965 HB2 27.4745 18.5369 20.6103 H 60 ASP60 0.0394 966 HB3 25.8744 18.7901 19.8719 H 60 ASP60 0.0394 967 N 27.2120 14.5290 20.1900 N.am 61 LYS61 -0.2456 968 H 26.3730 14.2850 19.6640 H 61 LYS61 0.1312 969 CA 28.0300 13.4610 20.7640 C.3 61 LYS61 0.0878 970 HA 28.2874 13.7391 21.7878 H 61 LYS61 0.0557 971 C 29.3140 13.3180 19.9460 C.2 61 LYS61 0.2187 972 O 29.5700 12.2790 19.3210 O.2 61 LYS61 -0.2778 973 CB 27.2480 12.1663 20.7385 C.3 61 LYS61 -0.0289 974 CG 26.0540 12.2552 21.6830 C.3 61 LYS61 -0.0496 975 CD 25.3477 10.9047 21.7379 C.3 61 LYS61 -0.0278 976 CE 24.6141 10.6610 20.4234 C.3 61 LYS61 0.1103 977 NZ 23.5042 11.6166 20.2972 N.4 61 LYS61 -0.0749 978 HB2 27.8958 11.3480 21.0529 H 61 LYS61 0.0285 979 HB3 26.8939 11.9779 19.7250 H 61 LYS61 0.0285 980 HG2 26.3996 12.5252 22.6809 H 61 LYS61 0.0266 981 HG3 25.3600 13.0138 21.3211 H 61 LYS61 0.0266 982 HD2 26.0836 10.1161 21.8948 H 61 LYS61 0.0282 983 HD3 24.6316 10.9023 22.5597 H 61 LYS61 0.0282 984 HE2 25.3053 10.7952 19.5914 H 61 LYS61 0.0559 985 HE3 24.2216 9.6442 20.4094 H 61 LYS61 0.0559 986 HZ1 22.9648 11.3996 19.4713 H 61 LYS61 0.2742 987 HZ2 23.8739 12.5534 20.2211 H 61 LYS61 0.2742 988 HZ3 22.9115 11.5538 21.1126 H 61 LYS61 0.2742 989 N 30.1000 14.3960 19.9490 N.am 62 ASP62 -0.2451 990 H 29.7970 15.2030 20.4930 H 62 ASP62 0.1312 991 CA 31.3710 14.5000 19.2230 C.3 62 ASP62 0.0974 992 HA 31.6823 15.5374 19.3411 H 62 ASP62 0.0563 993 C 31.2690 14.2320 17.7150 C.2 62 ASP62 0.2192 994 O 32.2580 13.8630 17.0820 O.2 62 ASP62 -0.2778 995 CB 32.4045 13.5839 19.8423 C.3 62 ASP62 0.0576 996 CG 32.6339 13.9661 21.3028 C.2 62 ASP62 0.1780 997 OD1 32.5434 15.1873 21.5996 O.co2 62 ASP62 -0.6478 998 OD2 32.8975 13.0332 22.1077 O.co2 62 ASP62 -0.6478 999 HB2 33.3422 13.6750 19.2940 H 62 ASP62 0.0394 1000 HB3 32.0530 12.5535 19.7890 H 62 ASP62 0.0394 1001 N 30.0790 14.4420 17.1480 N.am 63 LYS63 -0.2456 1002 H 29.3290 14.8290 17.7210 H 63 LYS63 0.1312 1003 CA 29.8010 14.1420 15.7380 C.3 63 LYS63 0.0878 1004 HA 28.7566 14.4176 15.5911 H 63 LYS63 0.0557 1005 C 29.9210 12.6400 15.4710 C.2 63 LYS63 0.2187 1006 O 30.8570 12.1800 14.8070 O.2 63 LYS63 -0.2778 1007 CB 30.6683 14.9323 14.7897 C.3 63 LYS63 -0.0289 1008 CG 30.4545 16.4284 14.9943 C.3 63 LYS63 -0.0496 1009 CD 29.1201 16.8396 14.3811 C.3 63 LYS63 -0.0278 1010 CE 28.0629 16.9276 15.4767 C.3 63 LYS63 0.1103 1011 NZ 27.4276 15.6135 15.6512 N.4 63 LYS63 -0.0749 1012 HB2 31.7150 14.6908 14.9747 H 63 LYS63 0.0285 1013 HB3 30.4135 14.6687 13.7633 H 63 LYS63 0.0285 1014 HG2 30.4483 16.6519 16.0611 H 63 LYS63 0.0266 1015 HG3 31.2614 16.9801 14.5121 H 63 LYS63 0.0266 1016 HD2 29.2259 17.8117 13.8996 H 63 LYS63 0.0282 1017 HD3 28.8163 16.0988 13.6416 H 63 LYS63 0.0282 1018 HE2 28.5335 17.2305 16.4120 H 63 LYS63 0.0559 1019 HE3 27.3080 17.6617 15.1952 H 63 LYS63 0.0559 1020 HZ1 27.4117 15.3743 16.6323 H 63 LYS63 0.2742 1021 HZ2 27.9525 14.9159 15.1433 H 63 LYS63 0.2742 1022 HZ3 26.4821 15.6470 15.2975 H 63 LYS63 0.2742 1023 N 28.9490 11.8950 16.0000 N.am 64 SER64 -0.2436 1024 H 28.1560 12.3790 16.4210 H 64 SER64 0.1312 1025 CA 28.9410 10.4290 16.0190 C.3 64 SER64 0.1109 1026 HA 29.7067 10.1417 16.7406 H 64 SER64 0.0580 1027 C 29.2690 9.7370 14.6860 C.2 64 SER64 0.2209 1028 O 30.0580 8.7920 14.6530 O.2 64 SER64 -0.2777 1029 CB 27.5608 9.9999 16.5342 C.3 64 SER64 0.0681 1030 HB1 27.2910 10.6319 17.3866 H 64 SER64 0.0577 1031 HB2 26.8059 10.1538 15.7536 H 64 SER64 0.0577 1032 OG 27.5935 8.6486 16.9604 O.3 64 SER64 -0.3930 1033 HG 26.7243 8.3281 17.1858 H 64 SER64 0.2095 1034 N 28.6580 10.1990 13.5990 N.am 65 LEU65 -0.2456 1035 H 27.9860 10.9600 13.6940 H 65 LEU65 0.1312 1036 CA 28.9230 9.6460 12.2700 C.3 65 LEU65 0.0880 1037 HA 29.9888 9.4087 12.2296 H 65 LEU65 0.0557 1038 C 28.6890 10.7320 11.2330 C.2 65 LEU65 0.2187 1039 O 27.9360 11.6710 11.4820 O.2 65 LEU65 -0.2778 1040 CB 28.0989 8.3676 12.0104 C.3 65 LEU65 -0.0266 1041 HB1 28.4604 7.8765 11.1059 H 65 LEU65 0.0287 1042 HB2 28.3242 7.6739 12.8212 H 65 LEU65 0.0287 1043 CG 26.5681 8.5571 11.9165 C.3 65 LEU65 -0.0449 1044 HG 26.2843 9.4088 12.5342 H 65 LEU65 0.0296 1045 CD1 26.0971 8.8321 10.4780 C.3 65 LEU65 -0.0626 1046 HD11 25.0136 8.9493 10.4392 H 65 LEU65 0.0232 1047 HD12 26.3643 8.0124 9.8106 H 65 LEU65 0.0232 1048 HD13 26.5291 9.7438 10.0695 H 65 LEU65 0.0232 1049 CD2 25.8378 7.3270 12.4721 C.3 65 LEU65 -0.0626 1050 HD21 26.0322 7.2153 13.5384 H 65 LEU65 0.0232 1051 HD22 26.1643 6.4155 11.9712 H 65 LEU65 0.0232 1052 HD23 24.7591 7.4100 12.3419 H 65 LEU65 0.0232 1053 N 29.3250 10.6030 10.0740 N.am 66 GLU66 -0.2456 1054 H 29.9300 9.7970 9.9170 H 66 GLU66 0.1312 1055 CA 29.1680 11.6030 9.0220 C.3 66 GLU66 0.0883 1056 HA 28.9628 12.5941 9.4308 H 66 GLU66 0.0557 1057 C 28.1850 11.1370 7.9710 C.2 66 GLU66 0.2187 1058 O 28.3000 10.0320 7.4440 O.2 66 GLU66 -0.2778 1059 CB 30.6201 11.4284 8.4015 C.3 66 GLU66 -0.0193 1060 HB1 30.9552 12.4250 8.1149 H 66 GLU66 0.0290 1061 HB2 30.5955 10.8781 7.4590 H 66 GLU66 0.0290 1062 CG 31.7874 10.7514 9.2517 C.3 66 GLU66 0.0356 1063 HG1 31.8551 11.2426 10.2223 H 66 GLU66 0.0374 1064 HG2 32.7249 10.9962 8.7541 H 66 GLU66 0.0374 1065 CD 31.8714 9.1784 9.5173 C.2 66 GLU66 0.1760 1066 OE1 31.0093 8.3923 9.1390 O.co2 66 GLU66 -0.6478 1067 OE2 32.8198 8.7028 10.1363 O.co2 66 GLU66 -0.6478 1068 N 27.1900 11.9710 7.7010 N.am 67 VAL67 -0.2454 1069 H 27.0750 12.8180 8.2570 H 67 VAL67 0.1312 1070 CA 26.2640 11.6870 6.6200 C.3 67 VAL67 0.0901 1071 HA 26.2908 10.6217 6.3850 H 67 VAL67 0.0560 1072 C 26.7200 12.4740 5.3950 C.2 67 VAL67 0.2190 1073 O 26.8260 13.6980 5.4380 O.2 67 VAL67 -0.2778 1074 CB 24.8269 12.0660 7.0242 C.3 67 VAL67 -0.0227 1075 HB 24.7837 13.1399 7.2144 H 67 VAL67 0.0315 1076 CG1 23.8376 11.7467 5.8933 C.3 67 VAL67 -0.0608 1077 HG11 22.8239 11.9769 6.2033 H 67 VAL67 0.0233 1078 HG12 23.8671 10.6914 5.6257 H 67 VAL67 0.0233 1079 HG13 24.0405 12.3290 4.9941 H 67 VAL67 0.0233 1080 CG2 24.3958 11.3536 8.3158 C.3 67 VAL67 -0.0608 1081 HG21 25.0095 11.6513 9.1661 H 67 VAL67 0.0233 1082 HG22 24.4738 10.2723 8.2096 H 67 VAL67 0.0233 1083 HG23 23.3612 11.5929 8.5650 H 67 VAL67 0.0233 1084 N 26.9970 11.7630 4.3060 N.am 68 SER68 -0.2436 1085 H 26.9440 10.7450 4.3430 H 68 SER68 0.1312 1086 CA 27.3740 12.4160 3.0630 C.3 68 SER68 0.1109 1087 HA 27.3317 13.4988 3.1930 H 68 SER68 0.0580 1088 C 26.3710 12.0680 1.9790 C.2 68 SER68 0.2209 1089 O 25.5510 11.1720 2.1510 O.2 68 SER68 -0.2777 1090 CB 28.8068 12.0122 2.6773 C.3 68 SER68 0.0681 1091 HB1 29.4381 12.1153 3.5692 H 68 SER68 0.0577 1092 HB2 29.1882 12.7122 1.9292 H 68 SER68 0.0577 1093 OG 28.8710 10.6962 2.1354 O.3 68 SER68 -0.3930 1094 HG 29.7564 10.3447 2.1701 H 68 SER68 0.2095 1095 N 26.4550 12.7610 0.8440 N.am 69 LYS69 -0.2456 1096 H 27.1420 13.5120 0.7730 H 69 LYS69 0.1312 1097 CA 25.5910 12.4770 -0.3040 C.3 69 LYS69 0.0878 1098 HA 24.6016 12.2775 0.1151 H 69 LYS69 0.0557 1099 C 25.9520 11.1860 -1.0370 C.2 69 LYS69 0.2187 1100 O 25.1570 10.6810 -1.8290 O.2 69 LYS69 -0.2778 1101 CB 25.4416 13.7015 -1.2166 C.3 69 LYS69 -0.0289 1102 HB1 26.4116 14.0413 -1.5797 H 69 LYS69 0.0285 1103 HB2 24.8576 13.4210 -2.0949 H 69 LYS69 0.0285 1104 CG 24.7075 14.8303 -0.4744 C.3 69 LYS69 -0.0496 1105 HG1 23.8791 14.3970 0.0900 H 69 LYS69 0.0266 1106 HG2 25.3709 15.2730 0.2690 H 69 LYS69 0.0266 1107 CD 24.1354 15.9209 -1.3900 C.3 69 LYS69 -0.0278 1108 HD1 23.6225 15.4535 -2.2320 H 69 LYS69 0.0282 1109 HD2 24.9400 16.5231 -1.8120 H 69 LYS69 0.0282 1110 CE 23.1276 16.8007 -0.6392 C.3 69 LYS69 0.1103 1111 HE1 22.3363 16.1738 -0.2283 H 69 LYS69 0.0559 1112 HE2 22.6562 17.5271 -1.3029 H 69 LYS69 0.0559 1113 NZ 23.7207 17.5121 0.4834 N.4 69 LYS69 -0.0749 1114 HZ1 22.9799 17.8450 1.1379 H 69 LYS69 0.2742 1115 HZ2 24.3350 18.2859 0.1847 H 69 LYS69 0.2742 1116 HZ3 24.2560 16.8426 1.0719 H 69 LYS69 0.2742 1117 N 27.1520 10.6600 -0.8090 N.am 70 ASN70 -0.2452 1118 H 27.8310 11.1760 -0.2500 H 70 ASN70 0.1312 1119 CA 27.5070 9.3550 -1.3490 C.3 70 ASN70 0.0957 1120 HA 27.1574 9.3056 -2.3830 H 70 ASN70 0.0562 1121 C 26.8120 8.2730 -0.5160 C.2 70 ASN70 0.2191 1122 O 27.2270 7.9830 0.6040 O.2 70 ASN70 -0.2778 1123 CB 29.0360 9.1966 -1.2964 C.3 70 ASN70 0.0446 1124 HB1 29.5028 10.0422 -1.8011 H 70 ASN70 0.0375 1125 HB2 29.3910 9.2121 -0.2671 H 70 ASN70 0.0375 1126 CG 29.5283 7.8994 -1.9659 C.2 70 ASN70 0.2000 1127 OD1 28.8687 6.8691 -1.9600 O.2 70 ASN70 -0.2797 1128 ND2 30.7323 8.0162 -2.5453 N.am 70 ASN70 -0.2723 1129 HD21 31.2416 8.8755 -2.5352 H 70 ASN70 0.1266 1130 HD22 31.1236 7.2187 -3.0033 H 70 ASN70 0.1266 1131 N 25.7620 7.6720 -1.0710 N.am 71 ALA71 -0.2459 1132 H 25.5280 7.8640 -2.0450 H 71 ALA71 0.1312 1133 CA 24.9380 6.7380 -0.2990 C.3 71 ALA71 0.0850 1134 HA 24.5803 7.2711 0.5835 H 71 ALA71 0.0554 1135 C 25.7290 5.5110 0.1490 C.2 71 ALA71 0.2184 1136 O 25.5620 5.0480 1.2840 O.2 71 ALA71 -0.2778 1137 CB 23.7675 6.2933 -1.1839 C.3 71 ALA71 -0.0411 1138 HB1 23.0518 5.6881 -0.6258 H 71 ALA71 0.0249 1139 HB2 24.1154 5.7080 -2.0355 H 71 ALA71 0.0249 1140 HB3 23.2421 7.1545 -1.5905 H 71 ALA71 0.0249 1141 N 26.5980 4.9920 -0.7180 N.am 72 ALA72 -0.2459 1142 H 26.7310 5.4430 -1.6230 H 72 ALA72 0.1312 1143 CA 27.3670 3.7840 -0.3950 C.3 72 ALA72 0.0850 1144 HA 26.6555 3.0260 -0.0631 H 72 ALA72 0.0554 1145 C 28.3610 4.0230 0.7310 C.2 72 ALA72 0.2185 1146 O 28.5640 3.1650 1.5880 O.2 72 ALA72 -0.2778 1147 CB 28.0868 3.3100 -1.6616 C.3 72 ALA72 -0.0411 1148 HB1 27.3697 3.1133 -2.4589 H 72 ALA72 0.0249 1149 HB2 28.6409 2.3882 -1.4824 H 72 ALA72 0.0249 1150 HB3 28.7877 4.0622 -2.0261 H 72 ALA72 0.0249 1151 N 29.0020 5.1800 0.7160 N.am 73 THR73 -0.2434 1152 H 28.8210 5.8570 -0.0250 H 73 THR73 0.1313 1153 CA 29.9660 5.4810 1.7620 C.3 73 THR73 0.1135 1154 HA 30.6162 4.6151 1.8910 H 73 THR73 0.0583 1155 C 29.2350 5.7570 3.0870 C.2 73 THR73 0.2213 1156 O 29.6520 5.2500 4.1300 O.2 73 THR73 -0.2777 1157 CB 30.7985 6.7054 1.3390 C.3 73 THR73 0.0763 1158 HB 30.0963 7.5158 1.1069 H 73 THR73 0.0611 1159 OG1 31.5254 6.3402 0.1747 O.3 73 THR73 -0.3900 1160 HG1 31.9620 7.0982 -0.2027 H 73 THR73 0.2098 1161 CG2 31.7786 7.1764 2.4306 C.3 73 THR73 -0.0370 1162 HG21 32.3643 8.0359 2.1045 H 73 THR73 0.0255 1163 HG22 32.4727 6.3810 2.7013 H 73 THR73 0.0255 1164 HG23 31.2546 7.4818 3.3366 H 73 THR73 0.0255 1165 N 28.1380 6.5130 3.0370 N.am 74 THR74 -0.2433 1166 H 27.8830 6.9640 2.1580 H 74 THR74 0.1313 1167 CA 27.2880 6.7110 4.2200 C.3 74 THR74 0.1135 1168 HA 27.9123 7.1947 4.9731 H 74 THR74 0.0583 1169 C 26.7810 5.3960 4.7970 C.2 74 THR74 0.2212 1170 O 26.7960 5.2090 6.0160 O.2 74 THR74 -0.2777 1171 CB 26.1265 7.6506 3.8428 C.3 74 THR74 0.0763 1172 HB 25.5534 7.1771 3.0366 H 74 THR74 0.0611 1173 OG1 26.7159 8.8479 3.3657 O.3 74 THR74 -0.3900 1174 HG1 26.0563 9.4543 3.0379 H 74 THR74 0.2098 1175 CG2 25.1967 7.9682 5.0285 C.3 74 THR74 -0.0370 1176 HG21 24.3780 8.6238 4.7320 H 74 THR74 0.0255 1177 HG22 25.7450 8.4580 5.8329 H 74 THR74 0.0255 1178 HG23 24.7451 7.0662 5.4395 H 74 THR74 0.0255 1179 N 26.3720 4.4810 3.9240 N.am 75 LEU75 -0.2456 1180 H 26.3240 4.7230 2.9340 H 75 LEU75 0.1312 1181 CA 25.9900 3.1390 4.3480 C.3 75 LEU75 0.0880 1182 HA 25.2171 3.2666 5.1054 H 75 LEU75 0.0557 1183 C 27.1840 2.4380 5.0100 C.2 75 LEU75 0.2187 1184 O 27.0490 1.8640 6.0810 O.2 75 LEU75 -0.2778 1185 CB 25.4269 2.3547 3.1492 C.3 75 LEU75 -0.0266 1186 HB1 26.1914 2.2899 2.3742 H 75 LEU75 0.0287 1187 HB2 24.6086 2.9251 2.7074 H 75 LEU75 0.0287 1188 CG 24.9210 0.9368 3.4891 C.3 75 LEU75 -0.0449 1189 HG 25.7405 0.3748 3.9368 H 75 LEU75 0.0296 1190 CD1 23.7533 0.9559 4.4870 C.3 75 LEU75 -0.0626 1191 HD11 24.0390 1.3981 5.4407 H 75 LEU75 0.0232 1192 HD12 23.4041 -0.0559 4.6926 H 75 LEU75 0.0232 1193 HD13 22.9078 1.5191 4.0913 H 75 LEU75 0.0232 1194 CD2 24.5032 0.1916 2.2153 C.3 75 LEU75 -0.0626 1195 HD21 24.2207 -0.8391 2.4338 H 75 LEU75 0.0232 1196 HD22 25.3135 0.1615 1.4864 H 75 LEU75 0.0232 1197 HD23 23.6477 0.6774 1.7465 H 75 LEU75 0.0232 1198 N 28.3610 2.4750 4.3760 N.am 76 LYS76 -0.2457 1199 H 28.4340 2.9600 3.4820 H 76 LYS76 0.1312 1200 CA 29.5430 1.8330 4.9430 C.3 76 LYS76 0.0878 1201 HA 29.3316 0.7637 4.9776 H 76 LYS76 0.0557 1202 C 29.8380 2.3290 6.3650 C.2 76 LYS76 0.2187 1203 O 30.0470 1.5280 7.2820 O.2 76 LYS76 -0.2778 1204 CB 30.6925 2.1345 3.9673 C.3 76 LYS76 -0.0289 1205 HB1 30.9367 3.1962 3.9927 H 76 LYS76 0.0285 1206 HB2 30.3313 1.9423 2.9563 H 76 LYS76 0.0285 1207 CG 31.9726 1.3176 4.1721 C.3 76 LYS76 -0.0496 1208 HG1 31.7283 0.2546 4.1711 H 76 LYS76 0.0266 1209 HG2 32.4072 1.5429 5.1470 H 76 LYS76 0.0266 1210 CD 32.9786 1.6268 3.0519 C.3 76 LYS76 -0.0278 1211 HD1 32.4927 1.4637 2.0883 H 76 LYS76 0.0282 1212 HD2 33.2360 2.6868 3.0868 H 76 LYS76 0.0282 1213 CE 34.2551 0.7819 3.1171 C.3 76 LYS76 0.1103 1214 HE1 34.7927 0.9735 4.0484 H 76 LYS76 0.0559 1215 HE2 34.0068 -0.2818 3.0955 H 76 LYS76 0.0559 1216 NZ 35.1550 1.0644 1.9946 N.4 76 LYS76 -0.0749 1217 HZ1 36.0092 0.4730 2.0623 H 76 LYS76 0.2742 1218 HZ2 35.4314 2.0683 2.0084 H 76 LYS76 0.2742 1219 HZ3 34.6699 0.8614 1.0956 H 76 LYS76 0.2742 1220 N 29.8340 3.6400 6.5360 N.am 77 ASN77 -0.2452 1221 H 29.6070 4.2460 5.7480 H 77 ASN77 0.1312 1222 CA 30.1490 4.2380 7.8320 C.3 77 ASN77 0.0957 1223 HA 31.0765 3.7839 8.1482 H 77 ASN77 0.0562 1224 C 29.0510 4.0360 8.8490 C.2 77 ASN77 0.2191 1225 O 29.3430 3.8020 10.0310 O.2 77 ASN77 -0.2778 1226 CB 30.3657 5.7324 7.5735 C.3 77 ASN77 0.0446 1227 HB1 29.5115 6.1770 7.0603 H 77 ASN77 0.0375 1228 HB2 30.4719 6.2423 8.5212 H 77 ASN77 0.0375 1229 CG 31.6327 5.9764 6.7319 C.2 77 ASN77 0.2000 1230 OD1 32.3050 5.0545 6.2823 O.2 77 ASN77 -0.2797 1231 ND2 31.9130 7.2726 6.5524 N.am 77 ASN77 -0.2723 1232 HD21 31.3567 7.9761 7.0017 H 77 ASN77 0.1266 1233 HD22 32.6835 7.5629 5.9882 H 77 ASN77 0.1266 1234 N 27.7980 4.1000 8.4010 N.am 78 PHE78 -0.2453 1235 H 27.6160 4.3420 7.4270 H 78 PHE78 0.1312 1236 CA 26.6810 3.8220 9.3080 C.3 78 PHE78 0.0917 1237 HA 26.8002 4.4646 10.1818 H 78 PHE78 0.0560 1238 C 26.7090 2.3750 9.7610 C.2 78 PHE78 0.2190 1239 O 26.4750 2.0780 10.9380 O.2 78 PHE78 -0.2778 1240 CB 25.3607 4.1359 8.5820 C.3 78 PHE78 -0.0036 1241 HB1 25.2827 5.2067 8.3926 H 78 PHE78 0.0333 1242 HB2 25.3551 3.6520 7.6040 H 78 PHE78 0.0333 1243 CG 24.1546 3.6833 9.3653 C.ar 78 PHE78 -0.0454 1244 CD1 23.9718 4.0965 10.6825 C.ar 78 PHE78 -0.0585 1245 HD1 24.6680 4.7838 11.1391 H 78 PHE78 0.0620 1246 CD2 23.2431 2.7934 8.8041 C.ar 78 PHE78 -0.0585 1247 HD2 23.3639 2.4576 7.7839 H 78 PHE78 0.0620 1248 CE1 22.9053 3.6194 11.4301 C.ar 78 PHE78 -0.0615 1249 HE1 22.7783 3.9505 12.4482 H 78 PHE78 0.0618 1250 CE2 22.1704 2.3230 9.5482 C.ar 78 PHE78 -0.0615 1251 HE2 21.4612 1.6483 9.0944 H 78 PHE78 0.0618 1252 CZ 22.0001 2.7345 10.8627 C.ar 78 PHE78 -0.0617 1253 HZ 21.1506 2.3898 11.4326 H 78 PHE78 0.0618 1254 N 27.0010 1.4720 8.8370 N.am 79 CYS79 -0.2448 1255 H 27.1860 1.7690 7.8790 H 79 CYS79 0.1312 1256 CA 27.0600 0.0620 9.1800 C.3 79 CYS79 0.0975 1257 HA 26.0852 -0.1895 9.5967 H 79 CYS79 0.0566 1258 C 28.1090 -0.2150 10.2490 C.2 79 CYS79 0.2195 1259 O 27.8950 -1.0520 11.1210 O.2 79 CYS79 -0.2778 1260 CB 27.2343 -0.7636 7.9219 C.3 79 CYS79 0.0279 1261 HB1 28.1741 -0.5036 7.4339 H 79 CYS79 0.0405 1262 HB2 27.2676 -1.8239 8.1717 H 79 CYS79 0.0405 1263 SG 25.8624 -0.4662 6.7705 S.3 79 CYS79 -0.0910 1264 N 29.2420 0.4800 10.1820 N.am 80 LYS80 -0.2456 1265 H 29.3740 1.1570 9.4310 H 80 LYS80 0.1312 1266 CA 30.2980 0.2850 11.1710 C.3 80 LYS80 0.0878 1267 HA 30.4172 -0.7926 11.3058 H 80 LYS80 0.0557 1268 C 29.8290 0.8430 12.4950 C.2 80 LYS80 0.2187 1269 O 29.9410 0.1840 13.5380 O.2 80 LYS80 -0.2778 1270 CB 31.7021 0.9098 10.8447 C.3 80 LYS80 -0.0289 1271 HB1 32.1419 0.2305 10.1135 H 80 LYS80 0.0285 1272 HB2 32.3590 0.8277 11.7123 H 80 LYS80 0.0285 1273 CG 31.8436 2.3376 10.2307 C.3 80 LYS80 -0.0496 1274 HG1 31.0418 2.3880 9.5147 H 80 LYS80 0.0266 1275 HG2 32.7529 2.3212 9.6288 H 80 LYS80 0.0266 1276 CD 31.9497 3.6339 11.1267 C.3 80 LYS80 -0.0278 1277 HD1 32.6310 3.4197 11.9508 H 80 LYS80 0.0282 1278 HD2 31.0035 3.8456 11.6180 H 80 LYS80 0.0282 1279 CE 32.4789 4.9289 10.3864 C.3 80 LYS80 0.1103 1280 HE1 33.5505 5.0130 10.5766 H 80 LYS80 0.0559 1281 HE2 32.4251 4.7856 9.3115 H 80 LYS80 0.0559 1282 NZ 31.9046 6.2795 10.6458 N.4 80 LYS80 -0.0749 1283 HZ1 32.3007 7.0100 9.9999 H 80 LYS80 0.2742 1284 HZ2 32.1206 6.6261 11.5998 H 80 LYS80 0.2742 1285 HZ3 30.8822 6.3204 10.4746 H 80 LYS80 0.2742 1286 N 29.2630 2.0420 12.4520 N.am 81 TRP81 -0.2453 1287 H 29.1790 2.5200 11.5550 H 81 TRP81 0.1312 1288 CA 28.7540 2.6990 13.6610 C.3 81 TRP81 0.0918 1289 HA 29.6014 2.8372 14.3344 H 81 TRP81 0.0560 1290 C 27.7020 1.8570 14.3860 C.2 81 TRP81 0.2190 1291 O 27.7910 1.6540 15.6080 O.2 81 TRP81 -0.2778 1292 CB 28.1670 4.0611 13.2379 C.3 81 TRP81 -0.0021 1293 HB1 27.3760 3.9305 12.4990 H 81 TRP81 0.0334 1294 HB2 28.9357 4.6726 12.7657 H 81 TRP81 0.0334 1295 CG 27.6177 4.8030 14.4377 C.ar 81 TRP81 -0.0260 1296 CD1 28.3388 5.6472 15.2835 C.ar 81 TRP81 -0.0136 1297 HD1 29.3792 5.9169 15.1724 H 81 TRP81 0.0748 1298 CD2 26.2781 4.7348 14.9697 C.ar 81 TRP81 -0.0028 1299 NE1 27.5352 6.0424 16.2990 N.ar 81 TRP81 -0.2641 1300 HE1 27.8206 6.6199 17.0378 H 81 TRP81 0.1331 1301 CE2 26.2652 5.5034 16.1547 C.ar 81 TRP81 0.0269 1302 CE3 25.1473 4.0779 14.5698 C.ar 81 TRP81 -0.0528 1303 HE3 25.1588 3.4944 13.6624 H 81 TRP81 0.0624 1304 CZ2 25.1267 5.5795 16.9113 C.ar 81 TRP81 -0.0430 1305 HZ2 25.1277 6.1551 17.8244 H 81 TRP81 0.0633 1306 CZ3 23.9959 4.1273 15.3519 C.ar 81 TRP81 -0.0611 1307 HZ3 23.1289 3.5586 15.0585 H 81 TRP81 0.0618 1308 CH2 23.9808 4.8841 16.5224 C.ar 81 TRP81 -0.0602 1309 HH2 23.0882 4.9194 17.1291 H 81 TRP81 0.0618 1310 N 26.7390 1.3260 13.6380 N.am 82 GLN82 -0.2456 1311 H 26.7670 1.4310 12.6240 H 82 GLN82 0.1312 1312 CA 25.6410 0.5930 14.2630 C.3 82 GLN82 0.0882 1313 HA 25.3226 1.1839 15.1244 H 82 GLN82 0.0557 1314 C 26.1350 -0.7290 14.8190 C.2 82 GLN82 0.2187 1315 O 25.6180 -1.2060 15.8290 O.2 82 GLN82 -0.2778 1316 CB 24.4363 0.4723 13.3125 C.3 82 GLN82 -0.0210 1317 HB1 23.5683 0.0907 13.8527 H 82 GLN82 0.0289 1318 HB2 24.1584 1.4811 13.0103 H 82 GLN82 0.0289 1319 CG 24.6908 -0.3462 12.0378 C.3 82 GLN82 0.0225 1320 HG1 25.7067 -0.1852 11.6972 H 82 GLN82 0.0356 1321 HG2 24.0274 -0.0130 11.2403 H 82 GLN82 0.0356 1322 CD 24.4501 -1.8480 12.2366 C.2 82 GLN82 0.1981 1323 OE1 23.5030 -2.2622 12.8870 O.2 82 GLN82 -0.2798 1324 NE2 25.3547 -2.6327 11.6357 N.am 82 GLN82 -0.2724 1325 HE21 25.2371 -3.6240 11.6971 H 82 GLN82 0.1266 1326 HE22 26.1392 -2.2715 11.1346 H 82 GLN82 0.1266 1327 N 27.1400 -1.3300 14.1830 N.am 83 HIS83 -0.2453 1328 H 27.4970 -0.9420 13.3100 H 83 HIS83 0.1312 1329 CA 27.7280 -2.5450 14.7380 C.3 83 HIS83 0.0932 1330 HA 26.8984 -3.2249 14.9422 H 83 HIS83 0.0561 1331 C 28.4620 -2.2750 16.0560 C.2 83 HIS83 0.2190 1332 O 28.2920 -3.0170 17.0210 O.2 83 HIS83 -0.2778 1333 CB 28.6566 -3.1525 13.6779 C.3 83 HIS83 0.0146 1334 HB1 28.1445 -3.1929 12.7168 H 83 HIS83 0.0348 1335 HB2 29.5474 -2.5399 13.5349 H 83 HIS83 0.0348 1336 CG 29.0518 -4.5628 14.0529 C.ar 83 HIS83 0.0551 1337 ND1 30.3269 -5.0045 14.0819 N.ar 83 HIS83 -0.2469 1338 CD2 28.2019 -5.6501 14.3167 C.ar 83 HIS83 0.0047 1339 HD2 27.1217 -5.6285 14.3223 H 83 HIS83 0.0764 1340 CE1 30.2553 -6.3171 14.3635 C.ar 83 HIS83 0.0737 1341 HE1 31.1167 -6.9664 14.4303 H 83 HIS83 0.0963 1342 NE2 28.9853 -6.7337 14.5143 N.ar 83 HIS83 -0.2539 1343 HE2 28.6871 -7.6510 14.6872 H 83 HIS83 0.1339 1344 N 29.2400 -1.1940 16.1000 N.am 84 GLN84 -0.2456 1345 H 29.3320 -0.6150 15.2660 H 84 GLN84 0.1312 1346 CA 29.9680 -0.8140 17.3170 C.3 84 GLN84 0.0882 1347 HA 30.6143 -1.6533 17.5767 H 84 GLN84 0.0557 1348 C 29.0180 -0.5360 18.4890 C.2 84 GLN84 0.2187 1349 O 29.3730 -0.7760 19.6460 O.2 84 GLN84 -0.2778 1350 CB 30.7860 0.4483 16.9873 C.3 84 GLN84 -0.0210 1351 HB1 30.1045 1.2407 16.6750 H 84 GLN84 0.0289 1352 HB2 31.4168 0.2485 16.1200 H 84 GLN84 0.0289 1353 CG 31.6554 0.9787 18.1409 C.3 84 GLN84 0.0225 1354 HG1 31.0582 1.1946 19.0270 H 84 GLN84 0.0356 1355 HG2 32.1241 1.9171 17.8464 H 84 GLN84 0.0356 1356 CD 32.7751 -0.0048 18.5013 C.2 84 GLN84 0.1981 1357 OE1 33.8505 0.0107 17.9189 O.2 84 GLN84 -0.2798 1358 NE2 32.4612 -0.8523 19.4921 N.am 84 GLN84 -0.2724 1359 HE21 33.1373 -1.5182 19.8037 H 84 GLN84 0.1266 1360 HE22 31.5579 -0.8310 19.9220 H 84 GLN84 0.1266 1361 N 27.8170 -0.0610 18.1820 N.am 85 HIS85 -0.2453 1362 H 27.5780 0.0760 17.2000 H 85 HIS85 0.1312 1363 CA 26.8250 0.2720 19.2030 C.3 85 HIS85 0.0929 1364 HA 27.3522 0.4702 20.1383 H 85 HIS85 0.0561 1365 C 25.8150 -0.8190 19.5200 C.2 85 HIS85 0.2190 1366 O 24.9820 -0.6520 20.4280 O.2 85 HIS85 -0.2778 1367 CB 26.1039 1.5546 18.7583 C.3 85 HIS85 0.0152 1368 HB1 25.7942 1.4849 17.7144 H 85 HIS85 0.0346 1369 HB2 25.2064 1.7368 19.3499 H 85 HIS85 0.0346 1370 CG 27.0310 2.7362 18.9420 C.ar 85 HIS85 0.0954 1371 ND1 27.9949 3.0941 18.0684 N.ar 85 HIS85 -0.0318 1372 CD2 27.1025 3.6000 20.0473 C.ar 85 HIS85 0.0831 1373 HD2 26.4790 3.5565 20.9276 H 85 HIS85 0.0839 1374 CE1 28.6263 4.1440 18.6175 C.ar 85 HIS85 0.1815 1375 HE1 29.4484 4.6619 18.1440 H 85 HIS85 0.1035 1376 NE2 28.1023 4.4799 19.8099 N.ar 85 HIS85 -0.0346 1377 HE2 28.4019 5.2069 20.3944 H 85 HIS85 0.2290 1378 HD1 28.2002 2.6596 17.1801 H 85 HIS85 0.2293 1379 N 25.8810 -1.9360 18.7960 N.am 86 ASN86 -0.2452 1380 H 26.5900 -2.0290 18.0690 H 86 ASN86 0.1312 1381 CA 24.9430 -3.0260 19.0400 C.3 86 ASN86 0.0957 1382 HA 23.9689 -2.5772 19.2373 H 86 ASN86 0.0562 1383 C 25.3820 -3.7880 20.2790 C.2 86 ASN86 0.2191 1384 O 26.5680 -3.8220 20.6180 O.2 86 ASN86 -0.2778 1385 CB 24.8714 -3.9354 17.7983 C.3 86 ASN86 0.0446 1386 HB1 24.8133 -3.3257 16.8979 H 86 ASN86 0.0375 1387 HB2 25.7668 -4.5512 17.7057 H 86 ASN86 0.0375 1388 CG 23.6218 -4.8344 17.8138 C.2 86 ASN86 0.2000 1389 OD1 22.7225 -4.6760 18.6280 O.2 86 ASN86 -0.2797 1390 ND2 23.6167 -5.7796 16.8631 N.am 86 ASN86 -0.2723 1391 HD21 22.8253 -6.3884 16.7931 H 86 ASN86 0.1266 1392 HD22 24.3734 -5.8865 16.2200 H 86 ASN86 0.1266 1393 N 24.4240 -4.4010 20.9590 N.am 87 GLN87 -0.2456 1394 H 23.4500 -4.2130 20.7200 H 87 GLN87 0.1312 1395 CA 24.7210 -5.3440 22.0470 C.3 87 GLN87 0.0882 1396 HA 25.6995 -5.1345 22.4832 H 87 GLN87 0.0557 1397 C 24.7020 -6.6940 21.3470 C.2 87 GLN87 0.2187 1398 O 23.6650 -7.0990 20.8360 O.2 87 GLN87 -0.2778 1399 CB 23.5776 -5.2828 23.0756 C.3 87 GLN87 -0.0210 1400 HB1 23.7337 -6.0459 23.8376 H 87 GLN87 0.0289 1401 HB2 22.6365 -5.5391 22.5855 H 87 GLN87 0.0289 1402 CG 23.3955 -3.9063 23.7348 C.3 87 GLN87 0.0225 1403 HG1 22.4606 -3.8894 24.2919 H 87 GLN87 0.0356 1404 HG2 23.3262 -3.1155 22.9880 H 87 GLN87 0.0356 1405 CD 24.5299 -3.5748 24.7126 C.2 87 GLN87 0.1981 1406 OE1 25.4467 -4.3528 24.9377 O.2 87 GLN87 -0.2798 1407 NE2 24.4042 -2.3668 25.2808 N.am 87 GLN87 -0.2724 1408 HE21 25.1020 -2.0590 25.9257 H 87 GLN87 0.1266 1409 HE22 23.6265 -1.7752 25.0712 H 87 GLN87 0.1266 1410 N 25.8380 -7.3720 21.2520 N.am 88 LEU88 -0.2456 1411 H 26.6890 -7.0070 21.6790 H 88 LEU88 0.1312 1412 CA 25.8660 -8.6430 20.5340 C.3 88 LEU88 0.0880 1413 HA 25.2841 -8.5149 19.6188 H 88 LEU88 0.0557 1414 C 25.1770 -9.7160 21.3700 C.2 88 LEU88 0.2185 1415 O 25.1840 -9.6540 22.6010 O.2 88 LEU88 -0.2778 1416 CB 27.3141 -9.0083 20.1725 C.3 88 LEU88 -0.0266 1417 HB1 27.3217 -9.9467 19.6165 H 88 LEU88 0.0287 1418 HB2 27.8770 -9.1914 21.0888 H 88 LEU88 0.0287 1419 CG 28.0398 -7.9251 19.3454 C.3 88 LEU88 -0.0449 1420 HG 28.0969 -7.0130 19.9413 H 88 LEU88 0.0296 1421 CD1 29.4805 -8.3551 19.0427 C.3 88 LEU88 -0.0626 1422 HD11 30.0323 -8.5547 19.9616 H 88 LEU88 0.0232 1423 HD12 30.0153 -7.5757 18.4989 H 88 LEU88 0.0232 1424 HD13 29.5023 -9.2599 18.4347 H 88 LEU88 0.0232 1425 CD2 27.3007 -7.5791 18.0421 C.3 88 LEU88 -0.0626 1426 HD21 26.3266 -7.1305 18.2378 H 88 LEU88 0.0232 1427 HD22 27.1479 -8.4645 17.4245 H 88 LEU88 0.0232 1428 HD23 27.8672 -6.8575 17.4523 H 88 LEU88 0.0232 1429 N 24.5630 -10.6750 20.6970 N.am 89 GLY89 -0.2485 1430 H 24.6310 -10.6990 19.6800 H 89 GLY89 0.1309 1431 CA 23.7870 -11.7020 21.3950 C.3 89 GLY89 0.0765 1432 HA1 23.9345 -12.6375 20.8558 H 89 GLY89 0.0521 1433 HA2 24.1468 -11.8273 22.4178 H 89 GLY89 0.0521 1434 C 22.3230 -11.3080 21.4000 C.2 89 GLY89 0.2155 1435 O 21.9380 -10.3000 22.0020 O.2 89 GLY89 -0.2781 1436 N 21.5230 -12.1280 20.7270 N.am 90 ASP90 -0.2454 1437 H 21.8980 -13.0170 20.3950 H 90 ASP90 0.1312 1438 CA 20.1230 -11.8040 20.4440 C.3 90 ASP90 0.0974 1439 HA 20.0920 -10.7870 19.9870 H 90 ASP90 0.0563 1440 C 19.2460 -11.7800 21.7110 C.2 90 ASP90 0.2192 1441 O 18.1320 -11.2520 21.6920 O.2 90 ASP90 -0.2778 1442 CB 19.5860 -12.7980 19.4160 C.3 90 ASP90 0.0576 1443 HB1 20.4210 -13.3270 18.9010 H 90 ASP90 0.0394 1444 HB2 19.0030 -13.5670 19.9740 H 90 ASP90 0.0394 1445 CG 18.6430 -12.1630 18.4070 C.2 90 ASP90 0.1780 1446 OD1 18.0990 -11.0750 18.6750 O.co2 90 ASP90 -0.6478 1447 OD2 18.4040 -12.7930 17.3580 O.co2 90 ASP90 -0.6478 1448 N 19.7480 -12.3360 22.8160 N.am 91 ASP91 -0.2451 1449 H 20.6520 -12.8070 22.7710 H 91 ASP91 0.1312 1450 CA 19.0320 -12.2860 24.0910 C.3 91 ASP91 0.0974 1451 HA 17.9971 -12.5266 23.8373 H 91 ASP91 0.0563 1452 C 18.9920 -10.9030 24.7420 C.2 91 ASP91 0.2192 1453 O 18.0990 -10.6100 25.5330 O.2 91 ASP91 -0.2778 1454 CB 19.4961 -13.3483 25.1054 C.3 91 ASP91 0.0576 1455 HB1 20.5074 -13.1496 25.4593 H 91 ASP91 0.0394 1456 HB2 19.4877 -14.3420 24.6602 H 91 ASP91 0.0394 1457 CG 18.5187 -13.3519 26.3005 C.2 91 ASP91 0.1780 1458 OD1 18.9534 -13.2627 27.4455 O.co2 91 ASP91 -0.6478 1459 OD2 17.3109 -13.4128 26.0724 O.co2 91 ASP91 -0.6478 1460 N 19.9490 -10.0410 24.4140 N.am 92 HIS92 -0.2453 1461 H 20.6700 -10.3110 23.7450 H 92 HIS92 0.1312 1462 CA 19.9690 -8.7170 25.0070 C.3 92 HIS92 0.0932 1463 HA 19.9297 -8.8663 26.0886 H 92 HIS92 0.0561 1464 C 18.7740 -7.8600 24.5780 C.2 92 HIS92 0.2190 1465 O 18.4430 -7.8190 23.3990 O.2 92 HIS92 -0.2778 1466 CB 21.3002 -8.0390 24.6340 C.3 92 HIS92 0.0146 1467 HB1 21.2878 -7.6615 23.6123 H 92 HIS92 0.0348 1468 HB2 22.1147 -8.7621 24.6874 H 92 HIS92 0.0348 1469 CG 21.6163 -6.9054 25.5863 C.ar 92 HIS92 0.0551 1470 ND1 20.8366 -5.8176 25.7619 N.ar 92 HIS92 -0.2469 1471 CD2 22.7533 -6.7620 26.3984 C.ar 92 HIS92 0.0047 1472 HD2 23.5798 -7.4544 26.4669 H 92 HIS92 0.0764 1473 CE1 21.4691 -5.0429 26.6591 C.ar 92 HIS92 0.0737 1474 HE1 21.0984 -4.0853 26.9989 H 92 HIS92 0.0963 1475 NE2 22.6339 -5.5851 27.0545 N.ar 92 HIS92 -0.2539 1476 HE2 23.2783 -5.1956 27.6820 H 92 HIS92 0.1339 1477 N 18.1500 -7.1550 25.5180 N.am 93 GLU93 -0.2456 1478 H 18.4780 -7.2240 26.4810 H 93 GLU93 0.1312 1479 CA 17.0080 -6.2820 25.2230 C.3 93 GLU93 0.0883 1480 HA 16.2128 -6.9437 24.8855 H 93 GLU93 0.0557 1481 C 17.2620 -5.2970 24.0890 C.2 93 GLU93 0.2187 1482 O 16.3640 -4.9940 23.2920 O.2 93 GLU93 -0.2778 1483 CB 16.5616 -5.5305 26.4778 C.3 93 GLU93 -0.0193 1484 HB1 15.7145 -4.8940 26.2122 H 93 GLU93 0.0290 1485 HB2 17.3504 -4.8637 26.8300 H 93 GLU93 0.0290 1486 CG 16.1498 -6.4860 27.6027 C.3 93 GLU93 0.0356 1487 HG1 17.0173 -6.9175 28.1016 H 93 GLU93 0.0374 1488 HG2 15.5578 -7.3027 27.2019 H 93 GLU93 0.0374 1489 CD 15.2917 -5.7387 28.6196 C.2 93 GLU93 0.1760 1490 OE1 15.8304 -5.0646 29.4860 O.co2 93 GLU93 -0.6478 1491 OE2 14.0712 -5.8070 28.5450 O.co2 93 GLU93 -0.6478 1492 N 18.4850 -4.7690 24.0450 N.am 94 GLU94 -0.2456 1493 H 19.1870 -5.0790 24.7170 H 94 GLU94 0.1312 1494 CA 18.8380 -3.7590 23.0570 C.3 94 GLU94 0.0883 1495 HA 17.9356 -3.4164 22.5466 H 94 GLU94 0.0557 1496 C 19.7430 -4.3150 21.9690 C.2 94 GLU94 0.2187 1497 O 20.4870 -3.5670 21.3370 O.2 94 GLU94 -0.2778 1498 CB 19.4993 -2.5412 23.7246 C.3 94 GLU94 -0.0193 1499 HB1 19.9104 -1.9017 22.9406 H 94 GLU94 0.0290 1500 HB2 20.3502 -2.8474 24.3337 H 94 GLU94 0.0290 1501 CG 18.5278 -1.6938 24.5659 C.3 94 GLU94 0.0356 1502 HG1 18.4561 -2.0670 25.5866 H 94 GLU94 0.0374 1503 HG2 17.5251 -1.7174 24.1376 H 94 GLU94 0.0374 1504 CD 19.0037 -0.2310 24.5869 C.2 94 GLU94 0.1760 1505 OE1 18.2684 0.6561 24.1642 O.co2 94 GLU94 -0.6478 1506 OE2 20.1275 0.0410 25.0012 O.co2 94 GLU94 -0.6478 1507 N 19.6960 -5.6210 21.7490 N.am 95 HIS95 -0.2453 1508 H 19.2850 -6.2430 22.4450 H 95 HIS95 0.1312 1509 CA 20.2350 -6.1670 20.5060 C.3 95 HIS95 0.0929 1510 HA 21.1737 -5.6574 20.2801 H 95 HIS95 0.0561 1511 C 19.2400 -5.9410 19.3730 C.2 95 HIS95 0.2190 1512 O 18.0630 -6.3030 19.4970 O.2 95 HIS95 -0.2778 1513 CB 20.5057 -7.6799 20.6531 C.3 95 HIS95 0.0152 1514 HB1 21.2758 -7.8467 21.4042 H 95 HIS95 0.0346 1515 HB2 19.6122 -8.1978 20.9997 H 95 HIS95 0.0346 1516 CG 20.9581 -8.3126 19.3439 C.ar 95 HIS95 0.0954 1517 ND1 22.2190 -8.7302 19.0945 N.ar 95 HIS95 -0.0318 1518 CD2 20.1665 -8.6692 18.2353 C.ar 95 HIS95 0.0831 1519 HD2 19.1063 -8.5052 18.1102 H 95 HIS95 0.0839 1520 CE1 22.2070 -9.2492 17.8549 C.ar 95 HIS95 0.1815 1521 HE1 23.0825 -9.6298 17.3489 H 95 HIS95 0.1035 1522 NE2 20.9751 -9.2439 17.3206 N.ar 95 HIS95 -0.0346 1523 HE2 20.7040 -9.5701 16.4350 H 95 HIS95 0.2290 1524 HD1 23.0124 -8.6652 19.7160 H 95 HIS95 0.2293 1525 N 19.7160 -5.3600 18.2720 N.am 96 TYR96 -0.2453 1526 H 20.6750 -5.0130 18.2590 H 96 TYR96 0.1312 1527 CA 18.8820 -5.2140 17.0860 C.3 96 TYR96 0.0917 1528 HA 17.8669 -5.5467 17.3119 H 96 TYR96 0.0560 1529 C 19.3770 -6.1330 15.9840 C.2 96 TYR96 0.2190 1530 O 20.5830 -6.3930 15.8650 O.2 96 TYR96 -0.2778 1531 CB 18.7883 -3.7424 16.6392 C.3 96 TYR96 -0.0036 1532 HB1 17.9921 -3.2567 17.2042 H 96 TYR96 0.0333 1533 HB2 18.4868 -3.6633 15.5930 H 96 TYR96 0.0333 1534 CG 20.0515 -2.9562 16.8729 C.ar 96 TYR96 -0.0453 1535 CD1 20.9832 -2.7769 15.8546 C.ar 96 TYR96 -0.0561 1536 HD1 20.8251 -3.2341 14.8877 H 96 TYR96 0.0621 1537 CD2 20.2782 -2.3599 18.1116 C.ar 96 TYR96 -0.0561 1538 HD2 19.5683 -2.4966 18.9148 H 96 TYR96 0.0621 1539 CE1 22.1113 -1.9934 16.0672 C.ar 96 TYR96 -0.0317 1540 HE1 22.8289 -1.8431 15.2753 H 96 TYR96 0.0643 1541 CE2 21.4112 -1.5915 18.3291 C.ar 96 TYR96 -0.0317 1542 HE2 21.5774 -1.1334 19.2921 H 96 TYR96 0.0643 1543 CZ 22.3190 -1.3943 17.3008 C.ar 96 TYR96 0.0726 1544 OH 23.4067 -0.5705 17.5002 O.3 96 TYR96 -0.3598 1545 HH 23.6620 -0.6033 18.4129 H 96 TYR96 0.2173 1546 N 18.4470 -6.6090 15.1620 N.am 97 ASP97 -0.2451 1547 H 17.4700 -6.3960 15.3640 H 97 ASP97 0.1312 1548 CA 18.7500 -7.4270 13.9750 C.3 97 ASP97 0.0974 1549 HA 19.6280 -8.0770 14.1990 H 97 ASP97 0.0563 1550 C 19.0720 -6.5630 12.7590 C.2 97 ASP97 0.2192 1551 O 19.7430 -7.0330 11.8570 O.2 97 ASP97 -0.2778 1552 CB 17.5540 -8.3160 13.6080 C.3 97 ASP97 0.0576 1553 HB1 17.7330 -8.8470 12.6440 H 97 ASP97 0.0394 1554 HB2 16.6770 -7.6440 13.4570 H 97 ASP97 0.0394 1555 CG 17.1860 -9.2970 14.7080 C.2 97 ASP97 0.1780 1556 OD1 18.0640 -9.9400 15.3440 O.co2 97 ASP97 -0.6478 1557 OD2 15.9790 -9.4330 14.9420 O.co2 97 ASP97 -0.6478 1558 N 18.5530 -5.3400 12.7270 N.am 98 ALA98 -0.2459 1559 H 17.9760 -5.0270 13.5080 H 98 ALA98 0.1312 1560 CA 18.7840 -4.4300 11.6070 C.3 98 ALA98 0.0850 1561 HA 19.7931 -4.6257 11.2393 H 98 ALA98 0.0554 1562 C 18.7710 -3.0110 12.1070 C.2 98 ALA98 0.2184 1563 O 18.0290 -2.6740 13.0270 O.2 98 ALA98 -0.2778 1564 CB 17.7744 -4.6770 10.4783 C.3 98 ALA98 -0.0411 1565 HB1 17.9422 -4.0000 9.6400 H 98 ALA98 0.0249 1566 HB2 16.7508 -4.5523 10.8165 H 98 ALA98 0.0249 1567 HB3 17.8590 -5.6943 10.0983 H 98 ALA98 0.0249 1568 N 19.5790 -2.1580 11.4790 N.am 99 ALA99 -0.2459 1569 H 20.1810 -2.5010 10.7300 H 99 ALA99 0.1312 1570 CA 19.6230 -0.7440 11.8390 C.3 99 ALA99 0.0850 1571 HA 18.8579 -0.5374 12.5881 H 99 ALA99 0.0554 1572 C 19.3390 0.1230 10.6290 C.2 99 ALA99 0.2184 1573 O 19.8630 -0.1440 9.5480 O.2 99 ALA99 -0.2778 1574 CB 21.0000 -0.4305 12.4301 C.3 99 ALA99 -0.0411 1575 HB1 21.2116 -1.0879 13.2729 H 99 ALA99 0.0249 1576 HB2 21.0547 0.5932 12.7988 H 99 ALA99 0.0249 1577 HB3 21.7880 -0.5734 11.6909 H 99 ALA99 0.0249 1578 N 18.4970 1.1440 10.8140 N.am 100 ILE100 -0.2454 1579 H 18.1470 1.3240 11.7550 H 100 ILE100 0.1312 1580 CA 18.0560 2.0160 9.7220 C.3 100 ILE100 0.0903 1581 HA 18.5714 1.7285 8.8042 H 100 ILE100 0.0560 1582 C 18.4090 3.4500 10.0630 C.2 100 ILE100 0.2189 1583 O 17.9740 3.9570 11.1010 O.2 100 ILE100 -0.2778 1584 CB 16.5227 1.8792 9.5356 C.3 100 ILE100 -0.0201 1585 HB 16.0421 2.3505 10.3954 H 100 ILE100 0.0318 1586 CG1 16.0172 0.4188 9.5405 C.3 100 ILE100 -0.0514 1587 HG11 16.2748 -0.0658 10.4830 H 100 ILE100 0.0266 1588 HG12 14.9269 0.4230 9.5138 H 100 ILE100 0.0266 1589 CG2 16.0382 2.6271 8.2812 C.3 100 ILE100 -0.0605 1590 HG21 16.2691 3.6915 8.3344 H 100 ILE100 0.0233 1591 HG22 14.9591 2.5330 8.1579 H 100 ILE100 0.0233 1592 HG23 16.5120 2.2369 7.3801 H 100 ILE100 0.0233 1593 CD1 16.5270 -0.4389 8.3756 C.3 100 ILE100 -0.0650 1594 HD11 16.1813 -1.4679 8.4765 H 100 ILE100 0.0230 1595 HD12 17.6153 -0.4618 8.3371 H 100 ILE100 0.0230 1596 HD13 16.1611 -0.0656 7.4194 H 100 ILE100 0.0230 1597 N 19.1880 4.0980 9.1870 N.am 101 LEU101 -0.2456 1598 H 19.5630 3.5830 8.3910 H 101 LEU101 0.1312 1599 CA 19.5220 5.5180 9.3280 C.3 101 LEU101 0.0880 1600 HA 19.3674 5.8000 10.3683 H 101 LEU101 0.0557 1601 C 18.6310 6.3710 8.4430 C.2 101 LEU101 0.2187 1602 O 18.4870 6.0830 7.2450 O.2 101 LEU101 -0.2778 1603 CB 20.9914 5.7539 8.9465 C.3 101 LEU101 -0.0266 1604 HB1 21.1517 5.3924 7.9318 H 101 LEU101 0.0287 1605 HB2 21.6124 5.1389 9.5853 H 101 LEU101 0.0287 1606 CG 21.4856 7.2128 9.0597 C.3 101 LEU101 -0.0449 1607 HG 20.8795 7.8429 8.4072 H 101 LEU101 0.0296 1608 CD1 21.3648 7.7609 10.4903 C.3 101 LEU101 -0.0626 1609 HD11 21.7633 8.7741 10.5557 H 101 LEU101 0.0232 1610 HD12 21.9139 7.1410 11.1996 H 101 LEU101 0.0232 1611 HD13 20.3270 7.8072 10.8158 H 101 LEU101 0.0232 1612 CD2 22.9358 7.3277 8.5718 C.3 101 LEU101 -0.0626 1613 HD21 23.2703 8.3645 8.5903 H 101 LEU101 0.0232 1614 HD22 23.0405 6.9668 7.5484 H 101 LEU101 0.0232 1615 HD23 23.6115 6.7513 9.2035 H 101 LEU101 0.0232 1616 N 18.0460 7.4130 9.0310 N.am 102 PHE102 -0.2453 1617 H 18.1440 7.5180 10.0410 H 102 PHE102 0.1312 1618 CA 17.2710 8.4130 8.3000 C.3 102 PHE102 0.0917 1619 HA 17.0893 8.0561 7.2857 H 102 PHE102 0.0560 1620 C 18.0170 9.7380 8.2370 C.2 102 PHE102 0.2191 1621 O 18.5200 10.2220 9.2570 O.2 102 PHE102 -0.2778 1622 CB 15.9316 8.6358 9.0197 C.3 102 PHE102 -0.0036 1623 HB1 16.0994 8.9511 10.0510 H 102 PHE102 0.0333 1624 HB2 15.3816 9.4428 8.5341 H 102 PHE102 0.0333 1625 CG 15.0648 7.4047 9.0158 C.ar 102 PHE102 -0.0454 1626 CD1 15.1872 6.4443 10.0161 C.ar 102 PHE102 -0.0585 1627 HD1 15.9158 6.5710 10.8016 H 102 PHE102 0.0620 1628 CD2 14.1153 7.2193 8.0162 C.ar 102 PHE102 -0.0585 1629 HD2 14.0066 7.9527 7.2292 H 102 PHE102 0.0620 1630 CE1 14.3789 5.3170 10.0186 C.ar 102 PHE102 -0.0615 1631 HE1 14.4964 4.5779 10.7965 H 102 PHE102 0.0618 1632 CE2 13.2983 6.0974 8.0211 C.ar 102 PHE102 -0.0615 1633 HE2 12.5622 5.9729 7.2409 H 102 PHE102 0.0618 1634 CZ 13.4286 5.1445 9.0226 C.ar 102 PHE102 -0.0617 1635 HZ 12.7964 4.2692 9.0250 H 102 PHE102 0.0618 1636 N 18.0460 10.3330 7.0430 N.am 103 THR103 -0.2434 1637 H 17.6430 9.8440 6.2440 H 103 THR103 0.1313 1638 CA 18.6310 11.6540 6.8330 C.3 103 THR103 0.1135 1639 HA 18.5918 12.1706 7.7917 H 103 THR103 0.0583 1640 C 17.7460 12.4510 5.8820 C.2 103 THR103 0.2212 1641 O 17.0210 11.8760 5.0670 O.2 103 THR103 -0.2777 1642 CB 20.0861 11.5873 6.3349 C.3 103 THR103 0.0763 1643 HB 20.6715 10.9893 7.0435 H 103 THR103 0.0611 1644 OG1 20.6453 12.8904 6.2432 O.3 103 THR103 -0.3900 1645 HG1 20.6779 13.3047 7.1091 H 103 THR103 0.2098 1646 CG2 20.2149 10.9305 4.9531 C.3 103 THR103 -0.0370 1647 HG21 21.2615 10.8655 4.6596 H 103 THR103 0.0255 1648 HG22 19.6976 11.5076 4.1864 H 103 THR103 0.0255 1649 HG23 19.8034 9.9216 4.9493 H 103 THR103 0.0255 1650 N 17.8170 13.7780 5.9780 N.am 104 ARG104 -0.2456 1651 H 18.3100 14.1940 6.7680 H 104 ARG104 0.1312 1652 CA 17.2040 14.6550 4.9760 C.3 104 ARG104 0.0879 1653 HA 16.3345 14.1300 4.5760 H 104 ARG104 0.0557 1654 C 18.1270 14.8740 3.7740 C.2 104 ARG104 0.2187 1655 O 17.6940 15.4010 2.7370 O.2 104 ARG104 -0.2778 1656 CB 16.7206 15.9975 5.5516 C.3 104 ARG104 -0.0258 1657 HB1 17.5671 16.5380 5.9708 H 104 ARG104 0.0286 1658 HB2 16.3597 16.6275 4.7384 H 104 ARG104 0.0286 1659 CG 15.6061 15.8729 6.6075 C.3 104 ARG104 -0.0154 1660 HG1 15.3899 16.8644 7.0046 H 104 ARG104 0.0299 1661 HG2 15.9779 15.2930 7.4533 H 104 ARG104 0.0299 1662 CD 14.2913 15.2439 6.1027 C.3 104 ARG104 0.1045 1663 HD1 13.5429 15.2759 6.8949 H 104 ARG104 0.0711 1664 HD2 14.4480 14.1973 5.8293 H 104 ARG104 0.0711 1665 NE 13.7581 15.9348 4.9192 N.pl3 104 ARG104 -0.4450 1666 HE 14.3330 16.5938 4.4447 H 104 ARG104 0.3153 1667 CZ 12.5574 15.6662 4.3895 C.cat 104 ARG104 0.5062 1668 NH1 11.7227 14.8340 4.9403 N.pl3 104 ARG104 -0.4573 1669 HH11 10.8317 14.6142 4.5564 H 104 ARG104 0.3114 1670 HH12 11.9880 14.3258 5.7679 H 104 ARG104 0.3114 1671 NH2 12.2033 16.2241 3.2637 N.pl3 104 ARG104 -0.4573 1672 HH21 12.8084 16.8625 2.8007 H 104 ARG104 0.3114 1673 HH22 11.3249 15.9695 2.8615 H 104 ARG104 0.3114 1674 N 19.3970 14.5120 3.9220 N.am 105 GLU105 -0.2456 1675 H 19.6940 14.1210 4.8160 H 105 GLU105 0.1312 1676 CA 20.3920 14.6530 2.8480 C.3 105 GLU105 0.0883 1677 HA 20.4420 15.7199 2.6274 H 105 GLU105 0.0557 1678 C 19.9810 13.9430 1.5690 C.2 105 GLU105 0.2187 1679 O 19.4250 12.8470 1.6130 O.2 105 GLU105 -0.2778 1680 CB 21.7675 14.1425 3.3267 C.3 105 GLU105 -0.0193 1681 HB1 22.3590 13.7555 2.4941 H 105 GLU105 0.0290 1682 HB2 21.6226 13.2908 3.9901 H 105 GLU105 0.0290 1683 CG 22.5993 15.2216 4.0409 C.3 105 GLU105 0.0356 1684 HG1 23.4303 14.7596 4.5741 H 105 GLU105 0.0374 1685 HG2 22.0017 15.7523 4.7816 H 105 GLU105 0.0374 1686 CD 23.1799 16.2267 3.0236 C.2 105 GLU105 0.1760 1687 OE1 24.2871 16.0192 2.5338 O.co2 105 GLU105 -0.6478 1688 OE2 22.5346 17.2232 2.7011 O.co2 105 GLU105 -0.6478 1689 N 20.2630 14.5790 0.4330 N.am 106 ASP106 -0.2451 1690 H 20.6640 15.5150 0.4840 H 106 ASP106 0.1312 1691 CA 20.0220 13.9930 -0.8800 C.3 106 ASP106 0.0974 1692 HA 19.0210 13.5010 -0.8740 H 106 ASP106 0.0563 1693 C 21.0810 12.9430 -1.1820 C.2 106 ASP106 0.2192 1694 O 22.2040 13.2630 -1.5780 O.2 106 ASP106 -0.2778 1695 CB 20.0280 15.0850 -1.9580 C.3 106 ASP106 0.0576 1696 HB1 20.9810 15.6640 -1.9340 H 106 ASP106 0.0394 1697 HB2 19.2040 15.7950 -1.7140 H 106 ASP106 0.0394 1698 CG 19.7580 14.5440 -3.3500 C.2 106 ASP106 0.1780 1699 OD1 19.3970 13.3460 -3.5120 O.co2 106 ASP106 -0.6478 1700 OD2 19.8870 15.3360 -4.3050 O.co2 106 ASP106 -0.6478 1701 N 20.7170 11.6780 -0.9970 N.am 107 LEU107 -0.2456 1702 H 19.7700 11.4780 -0.6740 H 107 LEU107 0.1312 1703 CA 21.6260 10.5700 -1.2410 C.3 107 LEU107 0.0880 1704 HA 22.6190 10.8260 -0.8030 H 107 LEU107 0.0557 1705 C 21.8150 10.2950 -2.7400 C.2 107 LEU107 0.2187 1706 O 20.8690 10.3750 -3.5210 O.2 107 LEU107 -0.2778 1707 CB 21.1030 9.3150 -0.5480 C.3 107 LEU107 -0.0266 1708 HB1 21.7470 8.4450 -0.8140 H 107 LEU107 0.0287 1709 HB2 20.0920 9.1100 -0.9710 H 107 LEU107 0.0287 1710 CG 20.9400 9.3890 0.9710 C.3 107 LEU107 -0.0449 1711 HG 20.2340 10.2170 1.2130 H 107 LEU107 0.0296 1712 CD1 20.3290 8.0720 1.4500 C.3 107 LEU107 -0.0626 1713 HD11 20.2100 8.1260 2.5580 H 107 LEU107 0.0232 1714 HD12 20.9150 7.1820 1.1230 H 107 LEU107 0.0232 1715 HD13 19.3100 7.9890 1.0040 H 107 LEU107 0.0232 1716 CD2 22.2770 9.6680 1.6660 C.3 107 LEU107 -0.0626 1717 HD21 22.7230 10.6290 1.3170 H 107 LEU107 0.0232 1718 HD22 22.9880 8.8180 1.5420 H 107 LEU107 0.0232 1719 HD23 22.0700 9.7730 2.7570 H 107 LEU107 0.0232 1720 N 23.0400 9.9600 -3.1230 N.am 108 CYS108 -0.2448 1721 H 23.7830 9.9190 -2.4250 H 108 CYS108 0.1312 1722 CA 23.3570 9.6480 -4.5140 C.3 108 CYS108 0.0975 1723 HA 22.4319 9.5515 -5.0499 H 108 CYS108 0.0566 1724 C 23.9790 8.2680 -4.6230 C.2 108 CYS108 0.2193 1725 O 24.8620 7.9030 -3.8410 O.2 108 CYS108 -0.2778 1726 CB 24.2850 10.7179 -5.0989 C.3 108 CYS108 0.0279 1727 HB1 25.2639 10.6542 -4.6218 H 108 CYS108 0.0405 1728 HB2 24.4452 10.5433 -6.1639 H 108 CYS108 0.0405 1729 SG 23.6708 12.4042 -4.8663 S.3 108 CYS108 -0.0910 1730 N 23.5080 7.4990 -5.6020 N.am 109 GLY109 -0.2484 1731 H 22.7800 7.8670 -6.2150 H 109 GLY109 0.1309 1732 CA 24.0030 6.1460 -5.8230 C.3 109 GLY109 0.0765 1733 HA1 23.2108 5.4354 -6.0070 H 109 GLY109 0.0521 1734 HA2 24.5280 5.7991 -4.9313 H 109 GLY109 0.0521 1735 C 24.9550 6.0560 -6.9970 C.2 109 GLY109 0.2155 1736 O 25.5160 7.0630 -7.4360 O.2 109 GLY109 -0.2781 1737 N 25.1250 4.8400 -7.5080 N.am 110 HIS110 -0.2455 1738 H 24.5630 4.0740 -7.1360 H 110 HIS110 0.1312 1739 CA 26.0790 4.5470 -8.5790 C.3 110 HIS110 0.0932 1740 HA 27.0616 4.8088 -8.1833 H 110 HIS110 0.0561 1741 C 25.8710 5.3780 -9.8470 C.2 110 HIS110 0.2191 1742 O 26.8420 5.7600 -10.5100 O.2 110 HIS110 -0.2778 1743 CB 26.0426 3.0376 -8.8843 C.3 110 HIS110 0.0146 1744 HB1 26.8266 2.7734 -9.5946 H 110 HIS110 0.0348 1745 HB2 26.2344 2.4660 -7.9764 H 110 HIS110 0.0348 1746 CG 24.6990 2.6204 -9.4487 C.ar 110 HIS110 0.0551 1747 ND1 23.5253 2.7114 -8.7809 N.ar 110 HIS110 -0.2469 1748 CD2 24.4293 2.1651 -10.7496 C.ar 110 HIS110 0.0047 1749 HD2 25.1564 2.0114 -11.5337 H 110 HIS110 0.0764 1750 CE1 22.5731 2.3512 -9.6597 C.ar 110 HIS110 0.0737 1751 HE1 21.5142 2.3531 -9.4440 H 110 HIS110 0.0963 1752 NE2 23.0906 2.0037 -10.8508 N.ar 110 HIS110 -0.2539 1753 HE2 22.5925 1.7197 -11.6466 H 110 HIS110 0.1339 1754 N 24.6110 5.6560 -10.1740 N.am 111 HIS111 -0.2453 1755 H 23.8610 5.3960 -9.5330 H 111 HIS111 0.1312 1756 CA 24.2770 6.3260 -11.4310 C.3 111 HIS111 0.0932 1757 HA 25.1684 6.3937 -12.0571 H 111 HIS111 0.0561 1758 C 23.7460 7.7470 -11.2600 C.2 111 HIS111 0.2191 1759 O 24.0260 8.6200 -12.0900 O.2 111 HIS111 -0.2778 1760 CB 23.2342 5.4342 -12.1312 C.3 111 HIS111 0.0146 1761 HB1 23.6677 4.4645 -12.3711 H 111 HIS111 0.0348 1762 HB2 22.3927 5.2459 -11.4631 H 111 HIS111 0.0348 1763 CG 22.7068 6.0538 -13.4070 C.ar 111 HIS111 0.0551 1764 ND1 21.3920 6.2113 -13.6577 N.ar 111 HIS111 -0.2469 1765 CD2 23.4295 6.5953 -14.4835 C.ar 111 HIS111 0.0047 1766 HD2 24.5048 6.6422 -14.5695 H 111 HIS111 0.0764 1767 CE1 21.3119 6.8683 -14.8256 C.ar 111 HIS111 0.0737 1768 HE1 20.3768 7.1861 -15.2661 H 111 HIS111 0.0963 1769 NE2 22.5269 7.0934 -15.3604 N.ar 111 HIS111 -0.2539 1770 HE2 22.7164 7.5673 -16.1962 H 111 HIS111 0.1339 1771 N 22.9890 7.9770 -10.1880 N.am 112 SER112 -0.2436 1772 H 22.9770 7.2930 -9.4310 H 112 SER112 0.1312 1773 CA 22.1750 9.1850 -10.0700 C.3 112 SER112 0.1109 1774 HA 22.7926 10.0114 -10.4268 H 112 SER112 0.0580 1775 C 21.8030 9.5160 -8.6140 C.2 112 SER112 0.2209 1776 O 21.8680 8.6490 -7.7340 O.2 112 SER112 -0.2777 1777 CB 20.9023 9.1230 -10.9251 C.3 112 SER112 0.0681 1778 HB1 21.1405 8.8258 -11.9500 H 112 SER112 0.0577 1779 HB2 20.2044 8.3819 -10.5157 H 112 SER112 0.0577 1780 OG 20.3450 10.4314 -10.9462 O.3 112 SER112 -0.3930 1781 HG 19.4186 10.4107 -11.2149 H 112 SER112 0.2095 1782 N 21.4170 10.7660 -8.3640 N.am 113 CYS113 -0.2448 1783 H 21.4760 11.4640 -9.1050 H 113 CYS113 0.1312 1784 CA 20.9070 11.1610 -7.0430 C.3 113 CYS113 0.0975 1785 HA 21.4210 10.5230 -6.2870 H 113 CYS113 0.0566 1786 C 19.3990 10.9260 -6.8840 C.2 113 CYS113 0.2195 1787 O 18.8130 11.2790 -5.8570 O.2 113 CYS113 -0.2778 1788 CB 21.2670 12.6160 -6.7260 C.3 113 CYS113 0.0279 1789 HB1 20.7350 13.3090 -7.4190 H 113 CYS113 0.0405 1790 HB2 20.8930 12.8300 -5.6980 H 113 CYS113 0.0405 1791 SG 23.0570 12.9650 -6.7280 S.3 113 CYS113 -0.0910 1792 N 18.7670 10.3090 -7.8860 N.am 114 ASP114 -0.2451 1793 H 19.2740 10.1050 -8.7470 H 114 ASP114 0.1312 1794 CA 17.3600 9.9200 -7.7730 C.3 114 ASP114 0.0974 1795 HA 16.7786 10.8322 -7.6295 H 114 ASP114 0.0563 1796 C 17.1360 8.9480 -6.6100 C.2 114 ASP114 0.2193 1797 O 16.0330 8.8840 -6.0560 O.2 114 ASP114 -0.2778 1798 CB 16.8933 9.1775 -9.0378 C.3 114 ASP114 0.0576 1799 HB1 17.2592 8.1502 -9.0432 H 114 ASP114 0.0394 1800 HB2 15.8061 9.1365 -9.0803 H 114 ASP114 0.0394 1801 CG 17.3898 9.8282 -10.3207 C.2 114 ASP114 0.1780 1802 OD1 17.3501 11.0481 -10.4174 O.co2 114 ASP114 -0.6478 1803 OD2 17.8223 9.1010 -11.2083 O.co2 114 ASP114 -0.6478 1804 N 18.1910 8.2210 -6.2490 N.am 115 THR115 -0.2434 1805 H 19.0570 8.3190 -6.7790 H 115 THR115 0.1313 1806 CA 18.1580 7.2860 -5.1210 C.3 115 THR115 0.1135 1807 HA 17.4950 6.4360 -5.4050 H 115 THR115 0.0583 1808 C 17.6030 7.8970 -3.8370 C.2 115 THR115 0.2212 1809 O 17.9030 9.0400 -3.4850 O.2 115 THR115 -0.2777 1810 CB 19.5410 6.7100 -4.8020 C.3 115 THR115 0.0763 1811 HB 20.0910 7.4240 -4.1460 H 115 THR115 0.0611 1812 OG1 20.2820 6.5190 -6.0120 O.3 115 THR115 -0.3900 1813 HG1 21.1400 6.1620 -5.8140 H 115 THR115 0.2098 1814 CG2 19.3730 5.3710 -4.0600 C.3 115 THR115 -0.0370 1815 HG21 20.3800 4.9520 -3.8280 H 115 THR115 0.0255 1816 HG22 18.7350 4.6520 -4.6240 H 115 THR115 0.0255 1817 HG23 18.8650 5.5840 -3.0910 H 115 THR115 0.0255 1818 N 16.7850 7.1080 -3.1470 N.am 116 LEU116 -0.2456 1819 H 16.5170 6.2070 -3.5440 H 116 LEU116 0.1312 1820 CA 16.2540 7.4900 -1.8320 C.3 116 LEU116 0.0880 1821 HA 16.5786 8.5005 -1.5884 H 116 LEU116 0.0557 1822 C 16.7550 6.5690 -0.7240 C.2 116 LEU116 0.2185 1823 O 16.4500 6.7900 0.4410 O.2 116 LEU116 -0.2778 1824 CB 14.7143 7.4213 -1.8550 C.3 116 LEU116 -0.0266 1825 HB1 14.3224 7.6799 -0.8690 H 116 LEU116 0.0287 1826 HB2 14.4020 6.3923 -2.0415 H 116 LEU116 0.0287 1827 CG 14.0445 8.3373 -2.8931 C.3 116 LEU116 -0.0449 1828 HG 14.4217 8.0852 -3.8847 H 116 LEU116 0.0296 1829 CD1 12.5272 8.1022 -2.9040 C.3 116 LEU116 -0.0626 1830 HD11 12.0426 8.6956 -3.6796 H 116 LEU116 0.0232 1831 HD12 12.0784 8.3813 -1.9492 H 116 LEU116 0.0232 1832 HD13 12.2877 7.0546 -3.0886 H 116 LEU116 0.0232 1833 CD2 14.3496 9.8174 -2.6222 C.3 116 LEU116 -0.0626 1834 HD21 15.4151 10.0282 -2.6884 H 116 LEU116 0.0232 1835 HD22 14.0144 10.1148 -1.6273 H 116 LEU116 0.0232 1836 HD23 13.8460 10.4600 -3.3447 H 116 LEU116 0.0232 1837 N 17.5120 5.5330 -1.0630 N.am 117 GLY117 -0.2485 1838 H 17.7910 5.3920 -2.0340 H 117 GLY117 0.1309 1839 CA 17.9400 4.5990 -0.0290 C.3 117 GLY117 0.0765 1840 HA1 17.0549 4.1060 0.3789 H 117 GLY117 0.0521 1841 HA2 18.4281 5.1761 0.7571 H 117 GLY117 0.0521 1842 C 18.8980 3.5570 -0.5480 C.2 117 GLY117 0.2155 1843 O 19.0150 3.3580 -1.7630 O.2 117 GLY117 -0.2781 1844 N 19.5910 2.8860 0.3680 N.am 118 MET118 -0.2459 1845 H 19.4780 3.1230 1.3540 H 118 MET118 0.1312 1846 CA 20.5100 1.8170 -0.0090 C.3 118 MET118 0.0885 1847 HA 20.0789 1.3038 -0.8708 H 118 MET118 0.0557 1848 C 20.6460 0.7980 1.1100 C.2 118 MET118 0.2187 1849 O 20.6180 1.1570 2.2890 O.2 118 MET118 -0.2778 1850 CB 21.8724 2.4464 -0.3571 C.3 118 MET118 -0.0199 1851 HB1 21.7074 3.3104 -1.0005 H 118 MET118 0.0293 1852 HB2 22.3463 2.8370 0.5444 H 118 MET118 0.0293 1853 CG 22.8375 1.4940 -1.0735 C.3 118 MET118 -0.0047 1854 HG1 23.0773 0.6283 -0.4564 H 118 MET118 0.0377 1855 HG2 22.3839 1.0959 -1.9808 H 118 MET118 0.0377 1856 SD 24.3747 2.3343 -1.4992 S.3 118 MET118 -0.1641 1857 CE 23.8966 3.0508 -3.0804 C.3 118 MET118 -0.0181 1858 HE1 24.6956 3.6860 -3.4634 H 118 MET118 0.0340 1859 HE2 22.9950 3.6516 -2.9637 H 118 MET118 0.0340 1860 HE3 23.6835 2.2616 -3.8011 H 118 MET118 0.0340 1861 N 20.8210 -0.4620 0.7210 N.am 119 ALA119 -0.2459 1862 H 20.7630 -0.6660 -0.2770 H 119 ALA119 0.1312 1863 CA 21.0940 -1.5840 1.6430 C.3 119 ALA119 0.0850 1864 HA 21.8373 -1.2405 2.3648 H 119 ALA119 0.0554 1865 C 21.6740 -2.7720 0.8780 C.2 119 ALA119 0.2184 1866 O 21.3490 -2.9760 -0.2990 O.2 119 ALA119 -0.2778 1867 CB 19.7998 -1.9955 2.3573 C.3 119 ALA119 -0.0411 1868 HB1 19.9671 -2.8274 3.0423 H 119 ALA119 0.0249 1869 HB2 19.0264 -2.2909 1.6475 H 119 ALA119 0.0249 1870 HB3 19.4102 -1.1651 2.9422 H 119 ALA119 0.0249 1871 N 22.4870 -3.5820 1.5550 N.am 120 ASP120 -0.2451 1872 H 22.7770 -3.3270 2.4990 H 120 ASP120 0.1312 1873 CA 22.9710 -4.8330 0.9660 C.3 120 ASP120 0.0974 1874 HA 23.3452 -4.5849 -0.0294 H 120 ASP120 0.0563 1875 C 21.8530 -5.8430 0.7890 C.2 120 ASP120 0.2192 1876 O 20.8010 -5.7170 1.4090 O.2 120 ASP120 -0.2778 1877 CB 24.1201 -5.4410 1.7851 C.3 120 ASP120 0.0576 1878 HB1 24.3573 -6.4479 1.4414 H 120 ASP120 0.0394 1879 HB2 23.8342 -5.5148 2.8279 H 120 ASP120 0.0394 1880 CG 25.4200 -4.6262 1.7152 C.2 120 ASP120 0.1780 1881 OD1 25.4149 -3.4729 1.2958 O.co2 120 ASP120 -0.6478 1882 OD2 26.4665 -5.1373 2.1013 O.co2 120 ASP120 -0.6478 1883 N 22.0800 -6.8530 -0.0500 N.am 121 VAL121 -0.2454 1884 H 22.9580 -6.8820 -0.5680 H 121 VAL121 0.1312 1885 CA 21.1100 -7.9110 -0.2450 C.3 121 VAL121 0.0901 1886 HA 20.1501 -7.5272 0.0730 H 121 VAL121 0.0560 1887 C 21.4740 -9.1300 0.5910 C.2 121 VAL121 0.2187 1888 O 22.5790 -9.6900 0.4750 O.2 121 VAL121 -0.2778 1889 CB 20.9731 -8.2616 -1.7413 C.3 121 VAL121 -0.0227 1890 HB 21.9187 -8.6810 -2.0886 H 121 VAL121 0.0315 1891 CG1 19.8667 -9.3069 -1.9745 C.3 121 VAL121 -0.0608 1892 HG11 20.0860 -10.2475 -1.4691 H 121 VAL121 0.0233 1893 HG12 19.7509 -9.5301 -3.0353 H 121 VAL121 0.0233 1894 HG13 18.9044 -8.9486 -1.6059 H 121 VAL121 0.0233 1895 CG2 20.6771 -7.0099 -2.5832 C.3 121 VAL121 -0.0608 1896 HG21 21.4841 -6.2796 -2.5224 H 121 VAL121 0.0233 1897 HG22 19.7598 -6.5251 -2.2490 H 121 VAL121 0.0233 1898 HG23 20.5522 -7.2686 -3.6347 H 121 VAL121 0.0233 1899 N 20.5400 -9.5240 1.4480 N.am 122 GLY122 -0.2485 1900 H 19.7460 -8.9090 1.6280 H 122 GLY122 0.1309 1901 CA 20.6080 -10.8030 2.1400 C.3 122 GLY122 0.0765 1902 HA1 21.0437 -11.5458 1.4701 H 122 GLY122 0.0521 1903 HA2 19.5747 -11.0883 2.3272 H 122 GLY122 0.0521 1904 C 21.3390 -10.8250 3.4590 C.2 122 GLY122 0.2156 1905 O 21.5510 -11.8980 4.0100 O.2 122 GLY122 -0.2781 1906 N 21.7250 -9.6530 3.9620 N.am 123 THR123 -0.2436 1907 H 21.4200 -8.7950 3.5030 H 123 THR123 0.1312 1908 CA 22.5690 -9.5560 5.1470 C.3 123 THR123 0.1135 1909 HA 23.1635 -10.4661 5.2420 H 123 THR123 0.0583 1910 C 21.8060 -9.3380 6.4490 C.2 123 THR123 0.2212 1911 O 22.4270 -8.9660 7.4390 O.2 123 THR123 -0.2777 1912 CB 23.4944 -8.3402 4.9582 C.3 123 THR123 0.0763 1913 HB 24.1435 -8.2666 5.8406 H 123 THR123 0.0611 1914 OG1 22.6628 -7.1941 4.8443 O.3 123 THR123 -0.3900 1915 HG1 23.1711 -6.3983 4.9624 H 123 THR123 0.2098 1916 CG2 24.3860 -8.4559 3.7134 C.3 123 THR123 -0.0370 1917 HG21 25.0869 -7.6232 3.6489 H 123 THR123 0.0255 1918 HG22 23.7957 -8.4585 2.7967 H 123 THR123 0.0255 1919 HG23 24.9712 -9.3748 3.7389 H 123 THR123 0.0255 1920 N 20.4970 -9.5810 6.4780 N.am 124 ILE124 -0.2453 1921 H 20.0310 -9.9870 5.6670 H 124 ILE124 0.1312 1922 CA 19.7280 -9.2580 7.6940 C.3 124 ILE124 0.0903 1923 HA 19.8863 -8.1888 7.8108 H 124 ILE124 0.0560 1924 C 20.2410 -9.9570 8.9650 C.2 124 ILE124 0.2190 1925 O 20.0850 -9.4270 10.0730 O.2 124 ILE124 -0.2778 1926 CB 18.2173 -9.4926 7.4971 C.3 124 ILE124 -0.0201 1927 HB 17.9584 -9.0905 6.5218 H 124 ILE124 0.0318 1928 CG1 17.4010 -8.6865 8.5272 C.3 124 ILE124 -0.0514 1929 HG11 17.5646 -9.0768 9.5318 H 124 ILE124 0.0266 1930 HG12 17.7641 -7.6581 8.5418 H 124 ILE124 0.0266 1931 CG2 17.8487 -10.9860 7.4969 C.3 124 ILE124 -0.0605 1932 HG21 16.8254 -11.1396 7.1620 H 124 ILE124 0.0233 1933 HG22 17.9379 -11.4206 8.4927 H 124 ILE124 0.0233 1934 HG23 18.4987 -11.5501 6.8292 H 124 ILE124 0.0233 1935 CD1 15.9020 -8.6508 8.2226 C.3 124 ILE124 -0.0650 1936 HD11 15.3802 -7.9906 8.9131 H 124 ILE124 0.0230 1937 HD12 15.4585 -9.6392 8.3174 H 124 ILE124 0.0230 1938 HD13 15.7191 -8.2839 7.2132 H 124 ILE124 0.0230 1939 N 20.9160 -11.0950 8.8170 N.am 125 CYS125 -0.2448 1940 H 21.0710 -11.4770 7.8840 H 125 CYS125 0.1312 1941 CA 21.4360 -11.7990 9.9910 C.3 125 CYS125 0.0975 1942 HA 21.1330 -11.2736 10.8973 H 125 CYS125 0.0566 1943 C 22.9530 -11.7890 10.0510 C.2 125 CYS125 0.2196 1944 O 23.5650 -12.5930 10.7500 O.2 125 CYS125 -0.2778 1945 CB 20.8431 -13.2136 10.0796 C.3 125 CYS125 0.0279 1946 HB1 20.9925 -13.7394 9.1362 H 125 CYS125 0.0405 1947 HB2 21.3666 -13.7911 10.8422 H 125 CYS125 0.0405 1948 SG 19.0726 -13.2458 10.5039 S.3 125 CYS125 -0.0910 1949 N 23.5410 -10.8230 9.3590 N.am 126 SER126 -0.2436 1950 H 22.9780 -10.2690 8.7140 H 126 SER126 0.1312 1951 CA 24.9610 -10.5230 9.4840 C.3 126 SER126 0.1111 1952 HA 25.4621 -11.3081 10.0481 H 126 SER126 0.0580 1953 C 25.0760 -9.1860 10.1750 C.2 126 SER126 0.2236 1954 O 24.9890 -8.1600 9.5210 O.2 126 SER126 -0.2775 1955 CB 25.5936 -10.4853 8.0822 C.3 126 SER126 0.0681 1956 HB1 25.3184 -9.5643 7.5572 H 126 SER126 0.0577 1957 HB2 26.6817 -10.4928 8.2021 H 126 SER126 0.0577 1958 OG 25.1739 -11.6110 7.3115 O.3 126 SER126 -0.3930 1959 HG 25.6414 -11.6407 6.4804 H 126 SER126 0.2095 1960 N 25.2350 -9.1770 11.5060 N.am 127 PRO127 -0.2315 1961 CA 25.1650 -7.9210 12.2530 C.3 127 PRO127 0.0907 1962 HA 24.1136 -7.6309 12.2658 H 127 PRO127 0.0559 1963 C 26.0010 -6.7660 11.6900 C.2 127 PRO127 0.2189 1964 O 25.5610 -5.6170 11.7480 O.2 127 PRO127 -0.2778 1965 CB 25.6475 -8.3214 13.6530 C.3 127 PRO127 -0.0276 1966 HB1 25.1877 -7.7259 14.4420 H 127 PRO127 0.0285 1967 HB2 26.7291 -8.2045 13.7350 H 127 PRO127 0.0285 1968 CG 25.3207 -9.8065 13.7644 C.3 127 PRO127 -0.0379 1969 HG1 24.2839 -9.9241 14.0815 H 127 PRO127 0.0278 1970 HG2 25.9528 -10.3261 14.4843 H 127 PRO127 0.0278 1971 CD 25.4800 -10.3466 12.3430 C.3 127 PRO127 0.0071 1972 HD1 26.4961 -10.6860 12.1317 H 127 PRO127 0.0431 1973 HD2 24.7560 -11.1277 12.1316 H 127 PRO127 0.0431 1974 N 27.1760 -7.0410 11.1280 N.am 128 GLU128 -0.2456 1975 H 27.4970 -8.0050 11.0370 H 128 GLU128 0.1312 1976 CA 28.0010 -5.9260 10.6420 C.3 128 GLU128 0.0883 1977 HA 27.9663 -5.1645 11.4206 H 128 GLU128 0.0557 1978 C 27.4390 -5.2550 9.3740 C.2 128 GLU128 0.2187 1979 O 27.7680 -4.0950 9.0850 O.2 128 GLU128 -0.2778 1980 CB 29.4720 -6.3732 10.5365 C.3 128 GLU128 -0.0193 1981 HB1 30.1080 -5.4902 10.4797 H 128 GLU128 0.0290 1982 HB2 29.7436 -6.8698 11.4685 H 128 GLU128 0.0290 1983 CG 29.8306 -7.3044 9.3664 C.3 128 GLU128 0.0356 1984 HG1 29.7839 -6.7574 8.4286 H 128 GLU128 0.0374 1985 HG2 30.8566 -7.6550 9.4681 H 128 GLU128 0.0374 1986 CD 28.9253 -8.5384 9.2850 C.2 128 GLU128 0.1760 1987 OE1 28.2275 -8.6870 8.2893 O.co2 128 GLU128 -0.6478 1988 OE2 28.9217 -9.3329 10.2209 O.co2 128 GLU128 -0.6478 1989 N 26.5950 -5.9650 8.6300 N.am 129 ARG129 -0.2457 1990 H 26.3310 -6.9040 8.9300 H 129 ARG129 0.1312 1991 CA 26.0370 -5.4250 7.3880 C.3 129 ARG129 0.0879 1992 HA 26.3800 -4.4071 7.2184 H 129 ARG129 0.0557 1993 C 24.5190 -5.4190 7.3210 C.2 129 ARG129 0.2187 1994 O 23.9540 -5.2130 6.2450 O.2 129 ARG129 -0.2778 1995 CB 26.4611 -6.3698 6.2310 C.3 129 ARG129 -0.0258 1996 HB1 26.1112 -7.3771 6.4633 H 129 ARG129 0.0286 1997 HB2 25.9634 -6.0959 5.2991 H 129 ARG129 0.0286 1998 CG 27.9584 -6.4799 5.9220 C.3 129 ARG129 -0.0154 1999 HG1 28.0862 -7.1969 5.1102 H 129 ARG129 0.0299 2000 HG2 28.4885 -6.8987 6.7672 H 129 ARG129 0.0299 2001 CD 28.6271 -5.1672 5.5316 C.3 129 ARG129 0.1045 2002 HD1 29.6245 -5.3558 5.1311 H 129 ARG129 0.0711 2003 HD2 28.7391 -4.5391 6.4155 H 129 ARG129 0.0711 2004 NE 27.8557 -4.4959 4.4833 N.pl3 129 ARG129 -0.4450 2005 HE 27.6194 -4.9532 3.6162 H 129 ARG129 0.3153 2006 CZ 27.3582 -3.2720 4.5467 C.cat 129 ARG129 0.5062 2007 NH1 27.5043 -2.5509 5.6119 N.pl3 129 ARG129 -0.4573 2008 HH11 27.9823 -2.9397 6.3928 H 129 ARG129 0.3114 2009 HH12 27.1176 -1.6352 5.6272 H 129 ARG129 0.3114 2010 NH2 26.7101 -2.7657 3.5473 N.pl3 129 ARG129 -0.4573 2011 HH21 26.3175 -1.8560 3.5306 H 129 ARG129 0.3114 2012 HH22 26.5724 -3.3464 2.7278 H 129 ARG129 0.3114 2013 N 23.8560 -5.5920 8.4650 N.am 130 SER130 -0.2436 2014 H 24.3710 -5.7850 9.3240 H 130 SER130 0.1312 2015 CA 22.4000 -5.5070 8.4970 C.3 130 SER130 0.1109 2016 HA 22.0074 -5.8027 7.5230 H 130 SER130 0.0580 2017 C 21.9850 -4.0720 8.7960 C.2 130 SER130 0.2209 2018 O 21.7180 -3.6710 9.9500 O.2 130 SER130 -0.2777 2019 CB 21.8380 -6.4708 9.5417 C.3 130 SER130 0.0681 2020 HB1 22.2628 -7.4674 9.3790 H 130 SER130 0.0577 2021 HB2 22.1200 -6.1544 10.5529 H 130 SER130 0.0577 2022 OG 20.4239 -6.5040 9.3936 O.3 130 SER130 -0.3930 2023 HG 20.0469 -7.1199 10.0213 H 130 SER130 0.2095 2024 N 21.9660 -3.2720 7.7370 N.am 131 CYS131 -0.2448 2025 H 22.0190 -3.6800 6.8040 H 131 CYS131 0.1312 2026 CA 21.8710 -1.8270 7.8750 C.3 131 CYS131 0.0975 2027 HA 21.1652 -1.6403 8.6706 H 131 CYS131 0.0566 2028 C 21.3630 -1.2360 6.5810 C.2 131 CYS131 0.2195 2029 O 21.5950 -1.7930 5.5050 O.2 131 CYS131 -0.2778 2030 CB 23.2726 -1.2835 8.2032 C.3 131 CYS131 0.0279 2031 HB1 23.2928 -0.1951 8.1451 H 131 CYS131 0.0405 2032 HB2 23.5355 -1.5454 9.2284 H 131 CYS131 0.0405 2033 SG 24.5384 -1.9751 7.0990 S.3 131 CYS131 -0.0910 2034 N 20.6640 -0.1170 6.7000 N.am 132 ALA132 -0.2459 2035 H 20.5010 0.2700 7.6300 H 132 ALA132 0.1312 2036 CA 20.1220 0.5750 5.5380 C.3 132 ALA132 0.0850 2037 HA 20.7529 0.3599 4.6732 H 132 ALA132 0.0554 2038 C 20.1650 2.0640 5.8110 C.2 132 ALA132 0.2184 2039 O 20.1170 2.5020 6.9770 O.2 132 ALA132 -0.2778 2040 CB 18.6780 0.1247 5.2914 C.3 132 ALA132 -0.0411 2041 HB1 18.2619 0.6123 4.4094 H 132 ALA132 0.0249 2042 HB2 18.0383 0.3684 6.1385 H 132 ALA132 0.0249 2043 HB3 18.6256 -0.9529 5.1343 H 132 ALA132 0.0249 2044 N 20.2880 2.8510 4.7410 N.am 133 VAL133 -0.2454 2045 H 20.4450 2.4210 3.8290 H 133 VAL133 0.1312 2046 CA 20.2060 4.3030 4.8300 C.3 133 VAL133 0.0901 2047 HA 20.0290 4.5955 5.8665 H 133 VAL133 0.0560 2048 C 19.0070 4.7720 3.9970 C.2 133 VAL133 0.2189 2049 O 18.7320 4.2220 2.9310 O.2 133 VAL133 -0.2778 2050 CB 21.5273 4.9313 4.3255 C.3 133 VAL133 -0.0227 2051 HB 21.4050 6.0158 4.3342 H 133 VAL133 0.0315 2052 CG1 22.6960 4.6076 5.2682 C.3 133 VAL133 -0.0608 2053 HG11 22.5086 4.9727 6.2758 H 133 VAL133 0.0233 2054 HG12 23.6183 5.0712 4.9188 H 133 VAL133 0.0233 2055 HG13 22.8695 3.5345 5.3340 H 133 VAL133 0.0233 2056 CG2 21.8860 4.5194 2.8855 C.3 133 VAL133 -0.0608 2057 HG21 22.8093 5.0010 2.5614 H 133 VAL133 0.0233 2058 HG22 21.1088 4.8028 2.1762 H 133 VAL133 0.0233 2059 HG23 22.0366 3.4428 2.8041 H 133 VAL133 0.0233 2060 N 18.3110 5.7760 4.5150 N.am 134 ILE134 -0.2454 2061 H 18.6800 6.2380 5.3460 H 134 ILE134 0.1312 2062 CA 17.0480 6.2570 3.9650 C.3 134 ILE134 0.0903 2063 HA 16.9126 5.8495 2.9612 H 134 ILE134 0.0560 2064 C 17.0980 7.7760 3.8860 C.2 134 ILE134 0.2189 2065 O 17.3690 8.4430 4.8830 O.2 134 ILE134 -0.2778 2066 CB 15.8838 5.8302 4.8983 C.3 134 ILE134 -0.0201 2067 HB 16.0278 6.3461 5.8495 H 134 ILE134 0.0318 2068 CG1 15.8826 4.3273 5.2504 C.3 134 ILE134 -0.0514 2069 HG11 16.8360 4.0409 5.6943 H 134 ILE134 0.0266 2070 HG12 15.1422 4.1532 6.0310 H 134 ILE134 0.0266 2071 CG2 14.5112 6.2703 4.3552 C.3 134 ILE134 -0.0605 2072 HG21 14.4332 7.3560 4.2896 H 134 ILE134 0.0233 2073 HG22 13.7028 5.9284 5.0007 H 134 ILE134 0.0233 2074 HG23 14.3314 5.8689 3.3586 H 134 ILE134 0.0233 2075 CD1 15.5685 3.4000 4.0717 C.3 134 ILE134 -0.0650 2076 HD11 15.6791 2.3548 4.3607 H 134 ILE134 0.0230 2077 HD12 16.2324 3.5832 3.2277 H 134 ILE134 0.0230 2078 HD13 14.5421 3.5372 3.7341 H 134 ILE134 0.0230 2079 N 16.8420 8.3050 2.6880 N.am 135 GLU135 -0.2456 2080 H 16.8110 7.6840 1.8790 H 135 GLU135 0.1312 2081 CA 16.6050 9.7230 2.4800 C.3 135 GLU135 0.0883 2082 HA 17.2410 10.3250 3.1700 H 135 GLU135 0.0557 2083 C 15.1400 9.9720 2.7690 C.2 135 GLU135 0.2187 2084 O 14.2760 9.5120 2.0290 O.2 135 GLU135 -0.2778 2085 CB 16.9110 10.0890 1.0250 C.3 135 GLU135 -0.0193 2086 HB1 16.4070 9.3790 0.3290 H 135 GLU135 0.0290 2087 HB2 18.0100 9.9670 0.8800 H 135 GLU135 0.0290 2088 CG 16.5650 11.5410 0.6580 C.3 135 GLU135 0.0356 2089 HG1 17.0450 12.2560 1.3670 H 135 GLU135 0.0374 2090 HG2 15.4610 11.6560 0.7700 H 135 GLU135 0.0374 2091 CD 16.9100 11.8880 -0.7780 C.2 135 GLU135 0.1760 2092 OE1 17.8200 11.2510 -1.3610 O.co2 135 GLU135 -0.6478 2093 OE2 16.2630 12.8180 -1.3160 O.co2 135 GLU135 -0.6478 2094 N 14.8530 10.6940 3.8470 N.am 136 ASP136 -0.2451 2095 H 15.6030 10.9840 4.4750 H 136 ASP136 0.1312 2096 CA 13.4880 11.0720 4.1380 C.3 136 ASP136 0.0974 2097 HA 12.8358 10.2198 3.9328 H 136 ASP136 0.0563 2098 C 13.0470 12.2360 3.2580 C.2 136 ASP136 0.2192 2099 O 13.4790 13.3780 3.4490 O.2 136 ASP136 -0.2778 2100 CB 13.4353 11.3837 5.6511 C.3 136 ASP136 0.0576 2101 HB1 13.4301 10.4524 6.2150 H 136 ASP136 0.0394 2102 HB2 14.3518 11.8997 5.9373 H 136 ASP136 0.0394 2103 CG 12.2552 12.2444 6.1511 C.2 136 ASP136 0.1780 2104 OD1 11.1228 12.0882 5.7243 O.co2 136 ASP136 -0.6478 2105 OD2 12.4693 13.1123 6.9827 O.co2 136 ASP136 -0.6478 2106 N 12.1640 11.9400 2.3100 N.am 137 ASP137 -0.2451 2107 H 11.8860 10.9690 2.1670 H 137 ASP137 0.1312 2108 CA 11.5860 12.9850 1.4710 C.3 137 ASP137 0.0974 2109 HA 12.2862 13.8172 1.4031 H 137 ASP137 0.0563 2110 C 10.2540 13.4970 2.0300 C.2 137 ASP137 0.2190 2111 O 9.6830 14.4560 1.5030 O.2 137 ASP137 -0.2778 2112 CB 11.3801 12.3909 0.0601 C.3 137 ASP137 0.0576 2113 HB1 11.0596 13.1713 -0.6297 H 137 ASP137 0.0394 2114 HB2 12.3263 12.0089 -0.3211 H 137 ASP137 0.0394 2115 CG 10.3567 11.2342 -0.0116 C.2 137 ASP137 0.1780 2116 OD1 10.3153 10.3971 0.8866 O.co2 137 ASP137 -0.6478 2117 OD2 9.6008 11.1815 -0.9754 O.co2 137 ASP137 -0.6478 2118 N 9.7580 12.8660 3.0940 N.am 138 GLY138 -0.2485 2119 H 10.2800 12.0860 3.4930 H 138 GLY138 0.1309 2120 CA 8.4840 13.2570 3.7100 C.3 138 GLY138 0.0765 2121 HA1 8.4662 12.7925 4.6945 H 138 GLY138 0.0521 2122 HA2 8.4782 14.3382 3.8391 H 138 GLY138 0.0521 2123 C 7.2450 12.8290 2.9430 C.2 138 GLY138 0.2155 2124 O 6.1220 13.1750 3.3270 O.2 138 GLY138 -0.2781 2125 N 7.4400 12.0870 1.8550 N.am 139 LEU139 -0.2459 2126 H 8.3920 11.8730 1.5580 H 139 LEU139 0.1312 2127 CA 6.3090 11.5730 1.0760 C.3 139 LEU139 0.0880 2128 HA 5.3778 11.7944 1.5965 H 139 LEU139 0.0557 2129 C 6.3070 10.0600 0.8700 C.2 139 LEU139 0.2187 2130 O 5.2410 9.4360 0.8600 O.2 139 LEU139 -0.2778 2131 CB 6.3078 12.2681 -0.2984 C.3 139 LEU139 -0.0266 2132 HB1 7.2421 12.0281 -0.8044 H 139 LEU139 0.0287 2133 HB2 5.5128 11.8591 -0.9235 H 139 LEU139 0.0287 2134 CG 6.1652 13.8011 -0.2490 C.3 139 LEU139 -0.0449 2135 HG 6.9343 14.2043 0.4105 H 139 LEU139 0.0296 2136 CD1 6.4104 14.4012 -1.6390 C.3 139 LEU139 -0.0626 2137 HD11 6.3488 15.4891 -1.6150 H 139 LEU139 0.0232 2138 HD12 5.6780 14.0370 -2.3597 H 139 LEU139 0.0232 2139 HD13 7.4016 14.1333 -2.0071 H 139 LEU139 0.0232 2140 CD2 4.7938 14.2340 0.2873 C.3 139 LEU139 -0.0626 2141 HD21 4.6357 13.8899 1.3085 H 139 LEU139 0.0232 2142 HD22 3.9880 13.8345 -0.3286 H 139 LEU139 0.0232 2143 HD23 4.7031 15.3201 0.2935 H 139 LEU139 0.0232 2144 N 7.4860 9.4690 0.7170 N.am 140 HIS140 -0.2453 2145 H 8.3410 10.0140 0.8260 H 140 HIS140 0.1312 2146 CA 7.5730 8.0440 0.3930 C.3 140 HIS140 0.0932 2147 HA 6.5856 7.5892 0.4717 H 140 HIS140 0.0561 2148 C 8.4640 7.2430 1.3360 C.2 140 HIS140 0.2190 2149 O 8.7930 6.0900 1.0410 O.2 140 HIS140 -0.2778 2150 CB 8.0743 7.9147 -1.0548 C.3 140 HIS140 0.0146 2151 HB1 9.0077 8.4644 -1.1893 H 140 HIS140 0.0348 2152 HB2 8.2642 6.8762 -1.3267 H 140 HIS140 0.0348 2153 CG 7.0203 8.4652 -1.9886 C.ar 140 HIS140 0.0551 2154 ND1 5.8647 7.8264 -2.2835 N.ar 140 HIS140 -0.2469 2155 CD2 6.9925 9.7287 -2.5987 C.ar 140 HIS140 0.0047 2156 HD2 7.7661 10.4792 -2.5213 H 140 HIS140 0.0764 2157 CE1 5.1528 8.6824 -3.0349 C.ar 140 HIS140 0.0737 2158 HE1 4.1683 8.4631 -3.4203 H 140 HIS140 0.0963 2159 NE2 5.8106 9.8360 -3.2504 N.ar 140 HIS140 -0.2539 2160 HE2 5.4981 10.6123 -3.7576 H 140 HIS140 0.1339 2161 N 8.8590 7.8300 2.4620 N.am 141 ALA141 -0.2459 2162 H 8.4510 8.7250 2.7340 H 141 ALA141 0.1312 2163 CA 9.8740 7.2060 3.3180 C.3 141 ALA141 0.0850 2164 HA 10.7686 7.1126 2.6992 H 141 ALA141 0.0554 2165 C 9.5070 5.8090 3.8240 C.2 141 ALA141 0.2184 2166 O 10.3760 4.9480 3.9360 O.2 141 ALA141 -0.2778 2167 CB 10.1739 8.1518 4.4885 C.3 141 ALA141 -0.0411 2168 HB1 10.9775 7.7681 5.1178 H 141 ALA141 0.0249 2169 HB2 9.2954 8.3054 5.1151 H 141 ALA141 0.0249 2170 HB3 10.4860 9.1304 4.1199 H 141 ALA141 0.0249 2171 N 8.2330 5.5780 4.1240 N.am 142 ALA142 -0.2459 2172 H 7.5400 6.3200 4.0270 H 142 ALA142 0.1312 2173 CA 7.8340 4.2590 4.5910 C.3 142 ALA142 0.0850 2174 HA 8.4898 4.0000 5.4246 H 142 ALA142 0.0554 2175 C 8.0060 3.2030 3.5040 C.2 142 ALA142 0.2184 2176 O 8.3590 2.0680 3.8110 O.2 142 ALA142 -0.2778 2177 CB 6.3827 4.3070 5.0785 C.3 142 ALA142 -0.0411 2178 HB1 6.2647 5.0410 5.8761 H 142 ALA142 0.0249 2179 HB2 6.0746 3.3388 5.4735 H 142 ALA142 0.0249 2180 HB3 5.7000 4.5787 4.2725 H 142 ALA142 0.0249 2181 N 7.7280 3.5650 2.2480 N.am 143 PHE143 -0.2453 2182 H 7.3340 4.4880 2.0680 H 143 PHE143 0.1312 2183 CA 7.9790 2.6610 1.1260 C.3 143 PHE143 0.0917 2184 HA 7.4879 1.7152 1.3579 H 143 PHE143 0.0560 2185 C 9.4670 2.3840 0.9960 C.2 143 PHE143 0.2191 2186 O 9.8800 1.2420 0.7990 O.2 143 PHE143 -0.2778 2187 CB 7.4299 3.2513 -0.1830 C.3 143 PHE143 -0.0036 2188 HB1 7.5752 2.5474 -1.0036 H 143 PHE143 0.0333 2189 HB2 7.9863 4.1514 -0.4500 H 143 PHE143 0.0333 2190 CG 5.9619 3.5831 -0.1019 C.ar 143 PHE143 -0.0454 2191 CD1 5.5130 4.8527 -0.4498 C.ar 143 PHE143 -0.0585 2192 HD1 6.2178 5.6055 -0.7711 H 143 PHE143 0.0620 2193 CD2 5.0307 2.6275 0.2964 C.ar 143 PHE143 -0.0585 2194 HD2 5.3563 1.6363 0.5698 H 143 PHE143 0.0620 2195 CE1 4.1621 5.1665 -0.3951 C.ar 143 PHE143 -0.0615 2196 HE1 3.8340 6.1597 -0.6675 H 143 PHE143 0.0618 2197 CE2 3.6774 2.9343 0.3468 C.ar 143 PHE143 -0.0615 2198 HE2 2.9651 2.1819 0.6517 H 143 PHE143 0.0618 2199 CZ 3.2418 4.2061 0.0014 C.ar 143 PHE143 -0.0617 2200 HZ 2.1902 4.4495 0.0371 H 143 PHE143 0.0618 2201 N 10.2830 3.4210 1.1200 N.am 144 THR144 -0.2434 2202 H 9.8940 4.3520 1.2680 H 144 THR144 0.1313 2203 CA 11.7340 3.2480 1.0480 C.3 144 THR144 0.1135 2204 HA 11.9411 2.7787 0.0857 H 144 THR144 0.0583 2205 C 12.2320 2.3130 2.1440 C.2 144 THR144 0.2212 2206 O 13.0620 1.4330 1.8900 O.2 144 THR144 -0.2777 2207 CB 12.4102 4.6307 1.0865 C.3 144 THR144 0.0763 2208 HB 12.2058 5.0854 2.0642 H 144 THR144 0.0611 2209 OG1 11.8221 5.4052 0.0523 O.3 144 THR144 -0.3900 2210 HG1 12.0573 6.3278 0.1307 H 144 THR144 0.2098 2211 CG2 13.9266 4.5609 0.8430 C.3 144 THR144 -0.0370 2212 HG21 14.3808 5.5459 0.9374 H 144 THR144 0.0255 2213 HG22 14.1501 4.1836 -0.1545 H 144 THR144 0.0255 2214 HG23 14.4222 3.9055 1.5554 H 144 THR144 0.0255 2215 N 11.7240 2.4900 3.3590 N.am 145 VAL145 -0.2453 2216 H 11.0700 3.2560 3.5230 H 145 VAL145 0.1312 2217 CA 12.0870 1.6040 4.4670 C.3 145 VAL145 0.0901 2218 HA 13.1710 1.6589 4.5801 H 145 VAL145 0.0560 2219 C 11.7350 0.1530 4.1330 C.2 145 VAL145 0.2189 2220 O 12.5710 -0.7440 4.2760 O.2 145 VAL145 -0.2778 2221 CB 11.3927 2.0966 5.7566 C.3 145 VAL145 -0.0227 2222 HB 10.3442 2.2839 5.5210 H 145 VAL145 0.0315 2223 CG1 11.4332 1.0742 6.9061 C.3 145 VAL145 -0.0608 2224 HG11 10.9893 1.4874 7.8122 H 145 VAL145 0.0233 2225 HG12 12.4594 0.7870 7.1380 H 145 VAL145 0.0233 2226 HG13 10.8758 0.1700 6.6621 H 145 VAL145 0.0233 2227 CG2 12.0102 3.4174 6.2338 C.3 145 VAL145 -0.0608 2228 HG21 11.4233 3.8461 7.0460 H 145 VAL145 0.0233 2229 HG22 12.0648 4.1594 5.4397 H 145 VAL145 0.0233 2230 HG23 13.0261 3.2621 6.5971 H 145 VAL145 0.0233 2231 N 10.5090 -0.0620 3.6550 N.am 146 ALA146 -0.2459 2232 H 9.8680 0.7200 3.5230 H 146 ALA146 0.1312 2233 CA 10.0890 -1.4120 3.3230 C.3 146 ALA146 0.0850 2234 HA 10.1976 -2.0026 4.2311 H 146 ALA146 0.0554 2235 C 10.9680 -2.0360 2.2390 C.2 146 ALA146 0.2184 2236 O 11.3580 -3.2080 2.3370 O.2 146 ALA146 -0.2778 2237 CB 8.6188 -1.3811 2.8845 C.3 146 ALA146 -0.0411 2238 HB1 7.9914 -0.9564 3.6685 H 146 ALA146 0.0249 2239 HB2 8.2464 -2.3836 2.6705 H 146 ALA146 0.0249 2240 HB3 8.4813 -0.7731 1.9892 H 146 ALA146 0.0249 2241 N 11.2880 -1.2320 1.2240 N.am 147 HIS147 -0.2453 2242 H 10.9240 -0.2790 1.2210 H 147 HIS147 0.1312 2243 CA 12.1360 -1.6600 0.1210 C.3 147 HIS147 0.0927 2244 HA 11.6730 -2.5600 -0.3470 H 147 HIS147 0.0561 2245 C 13.5380 -2.0300 0.5830 C.2 147 HIS147 0.2190 2246 O 14.0560 -3.0820 0.2040 O.2 147 HIS147 -0.2778 2247 CB 12.1880 -0.5440 -0.9300 C.3 147 HIS147 0.0081 2248 HB1 11.1570 -0.2750 -1.2590 H 147 HIS147 0.0343 2249 HB2 12.6170 0.3560 -0.4300 H 147 HIS147 0.0343 2250 CG 13.0510 -0.8410 -2.1160 C.ar 147 HIS147 0.0177 2251 ND1 12.5250 -1.1620 -3.3510 N.ar 147 HIS147 -0.2513 2252 CD2 14.3990 -0.8390 -2.2670 C.ar 147 HIS147 0.0428 2253 HD2 15.1450 -0.6170 -1.4860 H 147 HIS147 0.0843 2254 CE1 13.5170 -1.3360 -4.2080 C.ar 147 HIS147 0.0735 2255 HE1 13.4060 -1.5830 -5.2770 H 147 HIS147 0.0963 2256 NE2 14.6600 -1.1650 -3.5740 N.ar 147 HIS147 -0.2501 2257 HD1 11.5419 -1.2498 -3.5654 H 147 HIS147 0.1342 2258 N 14.1660 -1.1830 1.4040 N.am 148 GLU148 -0.2456 2259 H 13.7050 -0.3310 1.7240 H 148 GLU148 0.1312 2260 CA 15.5310 -1.5030 1.8360 C.3 148 GLU148 0.0883 2261 HA 16.0795 -1.8068 0.9447 H 148 GLU148 0.0557 2262 C 15.5980 -2.7010 2.7910 C.2 148 GLU148 0.2187 2263 O 16.5230 -3.5300 2.6900 O.2 148 GLU148 -0.2778 2264 CB 16.2297 -0.2679 2.4424 C.3 148 GLU148 -0.0193 2265 HB1 17.2495 -0.5507 2.6999 H 148 GLU148 0.0290 2266 HB2 15.7471 0.0059 3.3812 H 148 GLU148 0.0290 2267 CG 16.3028 0.9856 1.5383 C.3 148 GLU148 0.0356 2268 HG1 17.0106 1.7003 1.9570 H 148 GLU148 0.0374 2269 HG2 15.3441 1.4931 1.5068 H 148 GLU148 0.0374 2270 CD 16.7350 0.6997 0.0897 C.2 148 GLU148 0.1760 2271 OE1 17.5689 -0.1692 -0.1313 O.co2 148 GLU148 -0.6478 2272 OE2 16.2329 1.3391 -0.8331 O.co2 148 GLU148 -0.6478 2273 N 14.6270 -2.7940 3.6910 N.am 149 ILE149 -0.2454 2274 H 13.9540 -2.0360 3.8010 H 149 ILE149 0.1312 2275 CA 14.5310 -3.9890 4.5210 C.3 149 ILE149 0.0903 2276 HA 15.4916 -4.1087 5.0240 H 149 ILE149 0.0560 2277 C 14.3260 -5.2140 3.6250 C.2 149 ILE149 0.2187 2278 O 14.8650 -6.2910 3.9150 O.2 149 ILE149 -0.2778 2279 CB 13.4074 -3.8306 5.5744 C.3 149 ILE149 -0.0201 2280 HB 12.4882 -3.5834 5.0405 H 149 ILE149 0.0318 2281 CG1 13.7213 -2.6761 6.5505 C.3 149 ILE149 -0.0514 2282 HG11 14.0157 -1.7845 5.9981 H 149 ILE149 0.0266 2283 HG12 14.5846 -2.9389 7.1631 H 149 ILE149 0.0266 2284 CG2 13.1672 -5.1353 6.3621 C.3 149 ILE149 -0.0605 2285 HG21 12.3494 -5.0325 7.0738 H 149 ILE149 0.0233 2286 HG22 14.0591 -5.4295 6.9160 H 149 ILE149 0.0233 2287 HG23 12.9002 -5.9633 5.7073 H 149 ILE149 0.0233 2288 CD1 12.5414 -2.3025 7.4585 C.3 149 ILE149 -0.0650 2289 HD11 12.7847 -1.4309 8.0661 H 149 ILE149 0.0230 2290 HD12 12.2829 -3.1103 8.1426 H 149 ILE149 0.0230 2291 HD13 11.6563 -2.0633 6.8685 H 149 ILE149 0.0230 2292 N 13.5710 -5.0450 2.5360 N.am 150 GLY150 -0.2485 2293 H 13.1070 -4.1490 2.3870 H 150 GLY150 0.1309 2294 CA 13.3930 -6.1180 1.5480 C.3 150 GLY150 0.0765 2295 HA1 12.8050 -5.7018 0.7310 H 150 GLY150 0.0521 2296 HA2 12.8367 -6.9281 2.0207 H 150 GLY150 0.0521 2297 C 14.7190 -6.6230 1.0260 C.2 150 GLY150 0.2155 2298 O 14.9590 -7.8380 0.9840 O.2 150 GLY150 -0.2781 2299 N 15.6100 -5.7150 0.6300 N.am 151 HIS151 -0.2455 2300 H 15.3600 -4.7270 0.5900 H 151 HIS151 0.1312 2301 CA 16.9560 -6.1590 0.2520 C.3 151 HIS151 0.0927 2302 HA 16.8560 -6.8350 -0.6290 H 151 HIS151 0.0561 2303 C 17.6570 -6.9400 1.3600 C.2 151 HIS151 0.2190 2304 O 18.2640 -7.9960 1.1160 O.2 151 HIS151 -0.2778 2305 CB 17.8390 -4.9920 -0.1590 C.3 151 HIS151 0.0081 2306 HB1 17.8450 -4.2080 0.6330 H 151 HIS151 0.0343 2307 HB2 18.8800 -5.3820 -0.2430 H 151 HIS151 0.0343 2308 CG 17.4850 -4.3990 -1.4790 C.ar 151 HIS151 0.0177 2309 ND1 17.2680 -5.1610 -2.6090 N.ar 151 HIS151 -0.2513 2310 CD2 17.3820 -3.1060 -1.8600 C.ar 151 HIS151 0.0428 2311 HD2 17.5100 -2.2210 -1.2140 H 151 HIS151 0.0843 2312 CE1 17.0390 -4.3490 -3.6310 C.ar 151 HIS151 0.0735 2313 HE1 16.8400 -4.6640 -4.6690 H 151 HIS151 0.0963 2314 NE2 17.0880 -3.1000 -3.2010 N.ar 151 HIS151 -0.2501 2315 HD1 17.2815 -6.1701 -2.6502 H 151 HIS151 0.1342 2316 N 17.5850 -6.4290 2.5890 N.am 152 LEU152 -0.2456 2317 H 17.0970 -5.5480 2.7510 H 152 LEU152 0.1312 2318 CA 18.2100 -7.1400 3.7040 C.3 152 LEU152 0.0880 2319 HA 19.2710 -7.2219 3.4637 H 152 LEU152 0.0557 2320 C 17.6820 -8.5620 3.8210 C.2 152 LEU152 0.2187 2321 O 18.4310 -9.4710 4.2180 O.2 152 LEU152 -0.2778 2322 CB 18.0304 -6.3674 5.0264 C.3 152 LEU152 -0.0266 2323 HB1 18.4262 -6.9615 5.8510 H 152 LEU152 0.0287 2324 HB2 16.9672 -6.2442 5.2312 H 152 LEU152 0.0287 2325 CG 18.7205 -4.9890 5.0608 C.3 152 LEU152 -0.0449 2326 HG 18.3567 -4.3917 4.2248 H 152 LEU152 0.0296 2327 CD1 18.3716 -4.2390 6.3548 C.3 152 LEU152 -0.0626 2328 HD11 18.8255 -3.2473 6.3668 H 152 LEU152 0.0232 2329 HD12 18.7329 -4.7795 7.2309 H 152 LEU152 0.0232 2330 HD13 17.2948 -4.1113 6.4628 H 152 LEU152 0.0232 2331 CD2 20.2450 -5.1134 4.9322 C.3 152 LEU152 -0.0626 2332 HD21 20.7304 -4.1431 5.0295 H 152 LEU152 0.0232 2333 HD22 20.5412 -5.5218 3.9673 H 152 LEU152 0.0232 2334 HD23 20.6437 -5.7640 5.7096 H 152 LEU152 0.0232 2335 N 16.3980 -8.7340 3.5110 N.am 153 LEU153 -0.2456 2336 H 15.8410 -7.9190 3.2520 H 153 LEU153 0.1312 2337 CA 15.7520 -10.0570 3.5290 C.3 153 LEU153 0.0880 2338 HA 16.1554 -10.6233 4.3682 H 153 LEU153 0.0557 2339 C 15.9820 -10.8650 2.2460 C.2 153 LEU153 0.2185 2340 O 15.2860 -11.8520 1.9990 O.2 153 LEU153 -0.2778 2341 CB 14.2305 -9.8410 3.6884 C.3 153 LEU153 -0.0266 2342 HB1 13.6811 -10.7661 3.5054 H 153 LEU153 0.0287 2343 HB2 13.9024 -9.1494 2.9110 H 153 LEU153 0.0287 2344 CG 13.7966 -9.3002 5.0611 C.3 153 LEU153 -0.0449 2345 HG 14.4709 -8.4944 5.3510 H 153 LEU153 0.0296 2346 CD1 12.3871 -8.7045 4.9800 C.3 153 LEU153 -0.0626 2347 HD11 12.0747 -8.2942 5.9406 H 153 LEU153 0.0232 2348 HD12 11.6567 -9.4566 4.6809 H 153 LEU153 0.0232 2349 HD13 12.3531 -7.8970 4.2487 H 153 LEU153 0.0232 2350 CD2 13.8412 -10.3980 6.1324 C.3 153 LEU153 -0.0626 2351 HD21 14.8448 -10.8041 6.2410 H 153 LEU153 0.0232 2352 HD22 13.1759 -11.2232 5.8769 H 153 LEU153 0.0232 2353 HD23 13.5292 -10.0108 7.1025 H 153 LEU153 0.0232 2354 N 16.9520 -10.4610 1.4410 N.am 154 GLY154 -0.2485 2355 H 17.4400 -9.5860 1.6350 H 154 GLY154 0.1309 2356 CA 17.3310 -11.2640 0.2700 C.3 154 GLY154 0.0765 2357 HA1 18.4065 -11.1377 0.1569 H 154 GLY154 0.0521 2358 HA2 17.1539 -12.3195 0.4793 H 154 GLY154 0.0521 2359 C 16.6800 -10.9150 -1.0590 C.2 154 GLY154 0.2155 2360 O 16.9030 -11.6050 -2.0620 O.2 154 GLY154 -0.2781 2361 N 15.8960 -9.8440 -1.0820 N.am 155 LEU155 -0.2459 2362 H 15.8430 -9.2420 -0.2600 H 155 LEU155 0.1312 2363 CA 15.1060 -9.5150 -2.2720 C.3 155 LEU155 0.0880 2364 HA 14.7743 -10.4584 -2.7075 H 155 LEU155 0.0557 2365 C 15.8820 -8.7850 -3.3380 C.2 155 LEU155 0.2187 2366 O 16.6560 -7.8720 -3.0290 O.2 155 LEU155 -0.2778 2367 CB 13.8812 -8.6735 -1.8917 C.3 155 LEU155 -0.0266 2368 HB1 13.3432 -8.3919 -2.7986 H 155 LEU155 0.0287 2369 HB2 14.2001 -7.7428 -1.4259 H 155 LEU155 0.0287 2370 CG 12.8929 -9.4083 -0.9809 C.3 155 LEU155 -0.0449 2371 HG 13.3787 -9.6416 -0.0324 H 155 LEU155 0.0296 2372 CD1 11.6895 -8.5100 -0.6768 C.3 155 LEU155 -0.0626 2373 HD11 12.0029 -7.5323 -0.3177 H 155 LEU155 0.0232 2374 HD12 11.0545 -8.9511 0.0876 H 155 LEU155 0.0232 2375 HD13 11.0804 -8.3552 -1.5656 H 155 LEU155 0.0232 2376 CD2 12.4542 -10.7211 -1.6396 C.3 155 LEU155 -0.0626 2377 HD21 11.5163 -11.0812 -1.2397 H 155 LEU155 0.0232 2378 HD22 13.1968 -11.5035 -1.4878 H 155 LEU155 0.0232 2379 HD23 12.3139 -10.5938 -2.7126 H 155 LEU155 0.0232 2380 N 15.6550 -9.1840 -4.5920 N.am 156 SER156 -0.2436 2381 H 15.1530 -10.0600 -4.7390 H 156 SER156 0.1312 2382 CA 16.0940 -8.4220 -5.7720 C.3 156 SER156 0.1109 2383 HA 16.9937 -7.8607 -5.5189 H 156 SER156 0.0580 2384 C 14.9920 -7.4680 -6.1970 C.2 156 SER156 0.2209 2385 O 13.8670 -7.5050 -5.6770 O.2 156 SER156 -0.2777 2386 CB 16.3704 -9.4170 -6.9153 C.3 156 SER156 0.0681 2387 HB1 16.5167 -8.8946 -7.8666 H 156 SER156 0.0577 2388 HB2 15.5007 -10.0765 -7.0357 H 156 SER156 0.0577 2389 OG 17.5462 -10.1592 -6.6167 O.3 156 SER156 -0.3930 2390 HG 17.6399 -10.9126 -7.1979 H 156 SER156 0.2095 2391 N 15.3030 -6.6030 -7.1550 N.am 157 HIS157 -0.2452 2392 H 16.2610 -6.5640 -7.5040 H 157 HIS157 0.1312 2393 CA 14.3020 -5.7120 -7.7130 C.3 157 HIS157 0.0927 2394 HA 13.7470 -5.2400 -6.8690 H 157 HIS157 0.0561 2395 C 13.3090 -6.5070 -8.5490 C.2 157 HIS157 0.2190 2396 O 13.6590 -7.4820 -9.1930 O.2 157 HIS157 -0.2778 2397 CB 14.9340 -4.6040 -8.5430 C.3 157 HIS157 0.0081 2398 HB1 14.1730 -4.1080 -9.1900 H 157 HIS157 0.0343 2399 HB2 15.6810 -5.0830 -9.2190 H 157 HIS157 0.0343 2400 CG 15.6670 -3.5970 -7.7150 C.ar 157 HIS157 0.0177 2401 ND1 16.7880 -2.9350 -8.1660 N.ar 157 HIS157 -0.2513 2402 CD2 15.4630 -3.1670 -6.4440 C.ar 157 HIS157 0.0428 2403 HD2 14.6600 -3.4970 -5.7630 H 157 HIS157 0.0843 2404 CE1 17.2230 -2.1150 -7.2220 C.ar 157 HIS157 0.0735 2405 HE1 18.0900 -1.4380 -7.3050 H 157 HIS157 0.0963 2406 NE2 16.4430 -2.2440 -6.1630 N.ar 157 HIS157 -0.2501 2407 HD1 17.2117 -3.0563 -9.0748 H 157 HIS157 0.1342 2408 N 12.0610 -6.0800 -8.5560 N.am 158 ASP158 -0.2451 2409 H 11.8000 -5.2680 -7.9970 H 158 ASP158 0.1312 2410 CA 11.0520 -6.7620 -9.3590 C.3 158 ASP158 0.0974 2411 HA 11.1496 -7.8264 -9.1357 H 158 ASP158 0.0563 2412 C 11.3310 -6.6590 -10.8440 C.2 158 ASP158 0.2192 2413 O 10.9710 -7.5490 -11.6110 O.2 158 ASP158 -0.2778 2414 CB 9.6417 -6.3093 -8.9417 C.3 158 ASP158 0.0576 2415 HB1 8.8872 -6.7196 -9.6116 H 158 ASP158 0.0394 2416 HB2 9.5549 -5.2237 -8.9747 H 158 ASP158 0.0394 2417 CG 9.3054 -6.8005 -7.5155 C.2 158 ASP158 0.1780 2418 OD1 9.9659 -7.7080 -7.0141 O.co2 158 ASP158 -0.6478 2419 OD2 8.3799 -6.2809 -6.8994 O.co2 158 ASP158 -0.6478 2420 N 11.9770 -5.5660 -11.2390 N.am 159 ASP159 -0.2451 2421 H 12.2360 -4.8730 -10.5370 H 159 ASP159 0.1312 2422 CA 12.3330 -5.3130 -12.6390 C.3 159 ASP159 0.0974 2423 HA 11.5964 -5.7918 -13.2838 H 159 ASP159 0.0563 2424 C 13.7270 -5.8170 -13.0120 C.2 159 ASP159 0.2193 2425 O 14.3010 -5.3620 -14.0090 O.2 159 ASP159 -0.2778 2426 CB 12.3219 -3.7837 -12.8598 C.3 159 ASP159 0.0576 2427 HB1 11.3249 -3.3883 -12.6701 H 159 ASP159 0.0394 2428 HB2 12.5725 -3.5196 -13.8871 H 159 ASP159 0.0394 2429 CG 13.2999 -3.0719 -11.9022 C.2 159 ASP159 0.1780 2430 OD1 12.9901 -2.9768 -10.7290 O.co2 159 ASP159 -0.6478 2431 OD2 14.3619 -2.6206 -12.3131 O.co2 159 ASP159 -0.6478 2432 N 14.2540 -6.7500 -12.2260 N.am 160 SER160 -0.2436 2433 H 13.7140 -7.0710 -11.4220 H 160 SER160 0.1312 2434 CA 15.5720 -7.3370 -12.4610 C.3 160 SER160 0.1109 2435 HA 16.1879 -6.5496 -12.9000 H 160 SER160 0.0580 2436 C 15.5380 -8.5000 -13.4360 C.2 160 SER160 0.2209 2437 O 14.5130 -9.1480 -13.6280 O.2 160 SER160 -0.2777 2438 CB 16.2080 -7.7664 -11.1277 C.3 160 SER160 0.0681 2439 HB1 16.2124 -6.9281 -10.4252 H 160 SER160 0.0577 2440 HB2 17.2559 -8.0204 -11.2928 H 160 SER160 0.0577 2441 OG 15.6043 -8.8960 -10.5219 O.3 160 SER160 -0.3930 2442 HG 14.6736 -8.7223 -10.3896 H 160 SER160 0.2095 2443 N 16.6820 -8.7630 -14.0420 N.am 161 LYS161 -0.2456 2444 H 17.4480 -8.0920 -13.9760 H 161 LYS161 0.1312 2445 CA 16.8730 -9.9820 -14.7980 C.3 161 LYS161 0.0878 2446 HA 16.1072 -9.9776 -15.5726 H 161 LYS161 0.0557 2447 C 16.6190 -11.2140 -13.9310 C.2 161 LYS161 0.2187 2448 O 16.0340 -12.1880 -14.4020 O.2 161 LYS161 -0.2778 2449 CB 18.2524 -9.9793 -15.4788 C.3 161 LYS161 -0.0289 2450 HB1 19.0252 -9.7028 -14.7612 H 161 LYS161 0.0285 2451 HB2 18.2530 -9.1977 -16.2389 H 161 LYS161 0.0285 2452 CG 18.6155 -11.3320 -16.1148 C.3 161 LYS161 -0.0496 2453 HG1 19.2694 -11.8761 -15.4319 H 161 LYS161 0.0266 2454 HG2 17.7250 -11.9478 -16.2018 H 161 LYS161 0.0266 2455 CD 19.2747 -11.2527 -17.4989 C.3 161 LYS161 -0.0278 2456 HD1 20.0506 -10.4876 -17.5051 H 161 LYS161 0.0282 2457 HD2 19.7841 -12.1982 -17.6901 H 161 LYS161 0.0282 2458 CE 18.2667 -11.0103 -18.6340 C.3 161 LYS161 0.1103 2459 HE1 17.8313 -10.0130 -18.5565 H 161 LYS161 0.0559 2460 HE2 18.7675 -11.0765 -19.6000 H 161 LYS161 0.0559 2461 NZ 17.1681 -11.9676 -18.6398 N.4 161 LYS161 -0.0749 2462 HZ1 16.5164 -11.8008 -19.4349 H 161 LYS161 0.2742 2463 HZ2 16.5575 -11.8016 -17.8137 H 161 LYS161 0.2742 2464 HZ3 17.5153 -12.9462 -18.6344 H 161 LYS161 0.2742 2465 N 17.0050 -11.1780 -12.6560 N.am 162 PHE162 -0.2453 2466 H 17.4980 -10.3560 -12.3070 H 162 PHE162 0.1312 2467 CA 16.7380 -12.2860 -11.7520 C.3 162 PHE162 0.0917 2468 HA 17.2756 -13.1502 -12.1474 H 162 PHE162 0.0560 2469 C 15.2520 -12.6460 -11.6990 C.2 162 PHE162 0.2190 2470 O 14.8710 -13.8160 -11.8240 O.2 162 PHE162 -0.2778 2471 CB 17.2629 -11.9206 -10.3519 C.3 162 PHE162 -0.0036 2472 HB1 16.8115 -10.9899 -10.0093 H 162 PHE162 0.0333 2473 HB2 18.3363 -11.7374 -10.4004 H 162 PHE162 0.0333 2474 CG 16.9988 -12.9990 -9.3329 C.ar 162 PHE162 -0.0454 2475 CD1 17.8109 -14.1271 -9.2739 C.ar 162 PHE162 -0.0585 2476 HD1 18.6441 -14.2292 -9.9538 H 162 PHE162 0.0620 2477 CD2 15.9104 -12.9039 -8.4690 C.ar 162 PHE162 -0.0585 2478 HD2 15.2492 -12.0507 -8.5192 H 162 PHE162 0.0620 2479 CE1 17.5414 -15.1437 -8.3663 C.ar 162 PHE162 -0.0615 2480 HE1 18.1655 -16.0247 -8.3366 H 162 PHE162 0.0618 2481 CE2 15.6385 -13.9202 -7.5630 C.ar 162 PHE162 -0.0615 2482 HE2 14.7821 -13.8531 -6.9089 H 162 PHE162 0.0618 2483 CZ 16.4542 -15.0407 -7.5099 C.ar 162 PHE162 -0.0617 2484 HZ 16.2309 -15.8368 -6.8128 H 162 PHE162 0.0618 2485 N 14.4020 -11.6430 -11.4930 N.am 163 CYS163 -0.2448 2486 H 14.7470 -10.6940 -11.3500 H 163 CYS163 0.1312 2487 CA 12.9810 -11.9160 -11.4750 C.3 163 CYS163 0.0975 2488 HA 12.8187 -12.7503 -10.7895 H 163 CYS163 0.0566 2489 C 12.4650 -12.3490 -12.8460 C.2 163 CYS163 0.2195 2490 O 11.6610 -13.2830 -12.9290 O.2 163 CYS163 -0.2778 2491 CB 12.2002 -10.6962 -10.9646 C.3 163 CYS163 0.0279 2492 HB1 12.4968 -9.7990 -11.5097 H 163 CYS163 0.0405 2493 HB2 11.1328 -10.8257 -11.1482 H 163 CYS163 0.0405 2494 SG 12.4120 -10.4136 -9.1868 S.3 163 CYS163 -0.0910 2495 N 12.9030 -11.6730 -13.9090 N.am 164 GLU164 -0.2456 2496 H 13.5680 -10.9090 -13.7880 H 164 GLU164 0.1312 2497 CA 12.4350 -12.0230 -15.2400 C.3 164 GLU164 0.0883 2498 HA 11.3568 -11.8724 -15.2985 H 164 GLU164 0.0557 2499 C 12.8040 -13.4580 -15.5980 C.2 164 GLU164 0.2187 2500 O 11.9970 -14.1760 -16.1870 O.2 164 GLU164 -0.2778 2501 CB 13.2289 -11.0737 -16.1657 C.3 164 GLU164 -0.0193 2502 HB1 12.9684 -10.0375 -15.9499 H 164 GLU164 0.0290 2503 HB2 14.2693 -11.1627 -15.8566 H 164 GLU164 0.0290 2504 CG 13.1424 -11.3136 -17.6943 C.3 164 GLU164 0.0356 2505 HG1 12.8404 -12.3336 -17.9268 H 164 GLU164 0.0374 2506 HG2 12.3947 -10.6608 -18.1423 H 164 GLU164 0.0374 2507 CD 14.4978 -11.0699 -18.4029 C.2 164 GLU164 0.1760 2508 OE1 14.7365 -11.6299 -19.4672 O.co2 164 GLU164 -0.6478 2509 OE2 15.3421 -10.3349 -17.8989 O.co2 164 GLU164 -0.6478 2510 N 14.0130 -13.8830 -15.2510 N.am 165 GLU165 -0.2456 2511 H 14.6510 -13.2550 -14.7620 H 165 GLU165 0.1312 2512 CA 14.4360 -15.2550 -15.5690 C.3 165 GLU165 0.0883 2513 HA 14.0616 -15.4694 -16.5721 H 165 GLU165 0.0557 2514 C 13.7930 -16.3100 -14.6850 C.2 165 GLU165 0.2188 2515 O 13.7140 -17.4790 -15.0660 O.2 165 GLU165 -0.2778 2516 CB 15.9699 -15.3088 -15.6473 C.3 165 GLU165 -0.0193 2517 HB1 16.3114 -16.3379 -15.7635 H 165 GLU165 0.0290 2518 HB2 16.4104 -14.9285 -14.7246 H 165 GLU165 0.0290 2519 CG 16.4382 -14.4792 -16.8583 C.3 165 GLU165 0.0356 2520 HG1 16.0960 -13.4514 -16.7557 H 165 GLU165 0.0374 2521 HG2 15.9766 -14.8678 -17.7660 H 165 GLU165 0.0374 2522 CD 17.9575 -14.4305 -17.0879 C.2 165 GLU165 0.1760 2523 OE1 18.7166 -14.4360 -16.1287 O.co2 165 GLU165 -0.6478 2524 OE2 18.3704 -14.3630 -18.2452 O.co2 165 GLU165 -0.6478 2525 N 13.3180 -15.9270 -13.5090 N.am 166 THR166 -0.2434 2526 H 13.3870 -14.9500 -13.2240 H 166 THR166 0.1313 2527 CA 12.6980 -16.9010 -12.6240 C.3 166 THR166 0.1135 2528 HA 13.2414 -17.8423 -12.7265 H 166 THR166 0.0583 2529 C 11.2570 -17.1560 -13.0340 C.2 166 THR166 0.2212 2530 O 10.7930 -18.3000 -12.9890 O.2 166 THR166 -0.2777 2531 CB 12.8325 -16.4492 -11.1568 C.3 166 THR166 0.0763 2532 HB 12.3371 -15.4781 -11.0511 H 166 THR166 0.0611 2533 OG1 14.2172 -16.3078 -10.8850 O.3 166 THR166 -0.3900 2534 HG1 14.3635 -15.9657 -10.0076 H 166 THR166 0.2098 2535 CG2 12.2400 -17.4722 -10.1691 C.3 166 THR166 -0.0370 2536 HG21 12.2973 -17.1216 -9.1381 H 166 THR166 0.0255 2537 HG22 12.7769 -18.4192 -10.2258 H 166 THR166 0.0255 2538 HG23 11.1917 -17.6788 -10.3799 H 166 THR166 0.0255 2539 N 10.5600 -16.0970 -13.4390 N.am 167 PHE167 -0.2453 2540 H 11.0410 -15.2050 -13.5560 H 167 PHE167 0.1312 2541 CA 9.1240 -16.1690 -13.7220 C.3 167 PHE167 0.0917 2542 HA 8.7590 -17.1640 -13.4617 H 167 PHE167 0.0560 2543 C 8.7440 -15.9490 -15.1820 C.2 167 PHE167 0.2188 2544 O 7.6170 -16.2490 -15.5880 O.2 167 PHE167 -0.2778 2545 CB 8.4028 -15.1230 -12.8546 C.3 167 PHE167 -0.0036 2546 HB1 7.3494 -15.0463 -13.1288 H 167 PHE167 0.0333 2547 HB2 8.8374 -14.1332 -13.0078 H 167 PHE167 0.0333 2548 CG 8.4873 -15.5001 -11.4022 C.ar 167 PHE167 -0.0454 2549 CD1 9.5300 -15.0313 -10.6114 C.ar 167 PHE167 -0.0585 2550 HD1 10.2542 -14.3426 -11.0218 H 167 PHE167 0.0620 2551 CD2 7.5781 -16.4044 -10.8615 C.ar 167 PHE167 -0.0585 2552 HD2 6.7747 -16.7902 -11.4717 H 167 PHE167 0.0620 2553 CE1 9.6962 -15.5057 -9.3195 C.ar 167 PHE167 -0.0615 2554 HE1 10.5439 -15.1835 -8.7311 H 167 PHE167 0.0618 2555 CE2 7.7255 -16.8572 -9.5580 C.ar 167 PHE167 -0.0615 2556 HE2 7.0329 -17.5793 -9.1521 H 167 PHE167 0.0618 2557 CZ 8.7940 -16.4171 -8.7917 C.ar 167 PHE167 -0.0617 2558 HZ 8.9415 -16.8016 -7.7954 H 167 PHE167 0.0618 2559 N 9.6720 -15.4090 -15.9590 N.am 168 GLY168 -0.2485 2560 H 10.5710 -15.1550 -15.5480 H 168 GLY168 0.1309 2561 CA 9.4530 -15.1640 -17.3860 C.3 168 GLY168 0.0765 2562 HA1 8.8048 -15.9411 -17.7927 H 168 GLY168 0.0521 2563 HA2 10.4241 -15.2401 -17.8744 H 168 GLY168 0.0521 2564 C 8.8640 -13.8010 -17.6690 C.2 168 GLY168 0.2156 2565 O 8.6470 -13.4410 -18.8270 O.2 168 GLY168 -0.2781 2566 N 8.6140 -13.0300 -16.6130 N.am 169 SER169 -0.2439 2567 H 8.8370 -13.3850 -15.6830 H 169 SER169 0.1312 2568 CA 8.0350 -11.7010 -16.7310 C.3 169 SER169 0.1109 2569 HA 8.5374 -11.1934 -17.5559 H 169 SER169 0.0580 2570 C 8.3390 -10.9370 -15.4510 C.2 169 SER169 0.2210 2571 O 8.9010 -11.4960 -14.5060 O.2 169 SER169 -0.2777 2572 CB 6.5184 -11.7933 -16.9750 C.3 169 SER169 0.0681 2573 HB1 6.3451 -12.3601 -17.8961 H 169 SER169 0.0577 2574 HB2 6.1097 -10.7880 -17.1263 H 169 SER169 0.0577 2575 OG 5.8644 -12.4281 -15.8810 O.3 169 SER169 -0.3930 2576 HG 4.9248 -12.4966 -16.0301 H 169 SER169 0.2095 2577 N 7.9940 -9.6550 -15.4370 N.am 170 THR170 -0.2433 2578 H 7.5740 -9.2480 -16.2730 H 170 THR170 0.1313 2579 CA 8.1970 -8.8070 -14.2590 C.3 170 THR170 0.1135 2580 HA 8.4522 -9.4426 -13.4090 H 170 THR170 0.0583 2581 C 6.8940 -8.1080 -13.8880 C.2 170 THR170 0.2212 2582 O 6.0420 -7.8720 -14.7540 O.2 170 THR170 -0.2777 2583 CB 9.3497 -7.8103 -14.4938 C.3 170 THR170 0.0763 2584 HB 9.3841 -7.1279 -13.6348 H 170 THR170 0.0611 2585 OG1 9.0965 -7.0759 -15.6820 O.3 170 THR170 -0.3900 2586 HG1 9.7692 -6.4143 -15.8142 H 170 THR170 0.2098 2587 CG2 10.7039 -8.5370 -14.5946 C.3 170 THR170 -0.0370 2588 HG21 11.5389 -7.8370 -14.6373 H 170 THR170 0.0255 2589 HG22 10.7509 -9.1651 -15.4841 H 170 THR170 0.0255 2590 HG23 10.8698 -9.1792 -13.7291 H 170 THR170 0.0255 2591 N 6.7350 -7.8070 -12.6020 N.am 171 GLU171 -0.2456 2592 H 7.4790 -8.0560 -11.9500 H 171 GLU171 0.1312 2593 CA 5.5440 -7.1360 -12.0770 C.3 171 GLU171 0.0883 2594 HA 4.7686 -7.1160 -12.8460 H 171 GLU171 0.0557 2595 C 5.8860 -5.7030 -11.7150 C.2 171 GLU171 0.2187 2596 O 6.8660 -5.4480 -11.0000 O.2 171 GLU171 -0.2778 2597 CB 4.9987 -7.8061 -10.7769 C.3 171 GLU171 -0.0193 2598 HB1 5.8234 -8.2156 -10.1917 H 171 GLU171 0.0290 2599 HB2 4.5534 -7.0393 -10.1385 H 171 GLU171 0.0290 2600 CG 3.8986 -8.8731 -10.9754 C.3 171 GLU171 0.0356 2601 HG1 3.1746 -8.5297 -11.7144 H 171 GLU171 0.0374 2602 HG2 4.3265 -9.7998 -11.3563 H 171 GLU171 0.0374 2603 CD 3.1288 -9.1686 -9.6532 C.2 171 GLU171 0.1760 2604 OE1 3.6122 -9.9119 -8.8074 O.co2 171 GLU171 -0.6478 2605 OE2 2.0297 -8.6556 -9.4384 O.co2 171 GLU171 -0.6478 2606 N 5.0620 -4.7640 -12.1660 N.am 172 ASP172 -0.2451 2607 H 4.3060 -5.0210 -12.8010 H 172 ASP172 0.1312 2608 CA 5.2230 -3.3730 -11.7660 C.3 172 ASP172 0.0974 2609 HA 6.2664 -3.1205 -11.5706 H 172 ASP172 0.0563 2610 C 4.2910 -3.0340 -10.6010 C.2 172 ASP172 0.2192 2611 O 3.4500 -3.8460 -10.2090 O.2 172 ASP172 -0.2778 2612 CB 4.5702 -2.5515 -12.9218 C.3 172 ASP172 0.0576 2613 HB1 4.6755 -1.4799 -12.7528 H 172 ASP172 0.0394 2614 HB2 5.0862 -2.7626 -13.8577 H 172 ASP172 0.0394 2615 CG 3.0397 -2.8646 -13.1287 C.2 172 ASP172 0.1780 2616 OD1 2.7198 -3.7105 -13.9514 O.co2 172 ASP172 -0.6478 2617 OD2 2.1790 -2.2728 -12.4618 O.co2 172 ASP172 -0.6478 2618 N 4.4840 -1.8430 -10.0280 N.am 173 LYS173 -0.2456 2619 H 5.2680 -1.2770 -10.3510 H 173 LYS173 0.1312 2620 CA 3.6280 -1.2960 -8.9530 C.3 173 LYS173 0.0878 2621 HA 4.0971 -0.3375 -8.7422 H 173 LYS173 0.0557 2622 C 3.7460 -2.0420 -7.6190 C.2 173 LYS173 0.2187 2623 O 2.8350 -2.0150 -6.7860 O.2 173 LYS173 -0.2778 2624 CB 2.2236 -1.0097 -9.4650 C.3 173 LYS173 -0.0289 2625 HB1 1.5525 -0.8197 -8.6307 H 173 LYS173 0.0285 2626 HB2 1.9025 -1.9200 -9.9534 H 173 LYS173 0.0285 2627 CG 2.2190 0.2249 -10.3944 C.3 173 LYS173 -0.0496 2628 HG1 2.2285 1.1095 -9.7610 H 173 LYS173 0.0266 2629 HG2 3.1613 0.2709 -10.9416 H 173 LYS173 0.0266 2630 CD 1.0946 0.3534 -11.4435 C.3 173 LYS173 -0.0278 2631 HD1 0.9156 1.4132 -11.6245 H 173 LYS173 0.0282 2632 HD2 1.4576 -0.0150 -12.4011 H 173 LYS173 0.0282 2633 CE -0.2459 -0.3283 -11.1399 C.3 173 LYS173 0.1103 2634 HE1 -0.9021 -0.2023 -12.0016 H 173 LYS173 0.0559 2635 HE2 -0.7438 0.1444 -10.2937 H 173 LYS173 0.0559 2636 NZ -0.1403 -1.7613 -10.8860 N.4 173 LYS173 -0.0749 2637 HZ1 -1.0203 -2.2485 -11.1249 H 173 LYS173 0.2742 2638 HZ2 -0.0061 -1.9100 -9.8583 H 173 LYS173 0.2742 2639 HZ3 0.6663 -2.1578 -11.4291 H 173 LYS173 0.2742 2640 N 4.8870 -2.7040 -7.4190 N.am 174 ARG174 -0.2457 2641 H 5.5760 -2.7450 -8.1700 H 174 ARG174 0.1312 2642 CA 5.1770 -3.3750 -6.1470 C.3 174 ARG174 0.0879 2643 HA 4.3110 -3.3814 -5.4839 H 174 ARG174 0.0557 2644 C 6.3910 -2.7260 -5.4740 C.2 174 ARG174 0.2187 2645 O 7.1480 -1.9800 -6.0910 O.2 174 ARG174 -0.2778 2646 CB 5.6783 -4.7843 -6.5259 C.3 174 ARG174 -0.0258 2647 HB1 6.6506 -4.6765 -7.0069 H 174 ARG174 0.0286 2648 HB2 5.8355 -5.4054 -5.6424 H 174 ARG174 0.0286 2649 CG 4.8130 -5.5136 -7.5480 C.3 174 ARG174 -0.0154 2650 HG1 4.6513 -4.8948 -8.4259 H 174 ARG174 0.0299 2651 HG2 5.3404 -6.3713 -7.9512 H 174 ARG174 0.0299 2652 CD 3.4891 -5.9699 -6.9658 C.3 174 ARG174 0.1045 2653 HD1 3.0435 -5.2301 -6.2973 H 174 ARG174 0.0711 2654 HD2 3.6057 -6.8891 -6.3993 H 174 ARG174 0.0711 2655 NE 2.6152 -6.2560 -8.0875 N.pl3 174 ARG174 -0.4450 2656 HE 2.7018 -7.0859 -8.6380 H 174 ARG174 0.3153 2657 CZ 1.6770 -5.4374 -8.5219 C.cat 174 ARG174 0.5062 2658 NH1 1.5306 -4.2577 -8.0035 N.pl3 174 ARG174 -0.4573 2659 HH11 2.1679 -3.9022 -7.3276 H 174 ARG174 0.3114 2660 HH12 0.7624 -3.6917 -8.3022 H 174 ARG174 0.3114 2661 NH2 0.8955 -5.8251 -9.4845 N.pl3 174 ARG174 -0.4573 2662 HH21 1.0422 -6.7258 -9.8980 H 174 ARG174 0.3114 2663 HH22 0.1735 -5.2082 -9.7934 H 174 ARG174 0.3114 2664 N 6.5680 -3.0340 -4.1960 N.am 175 LEU175 -0.2456 2665 H 6.0070 -3.7770 -3.7800 H 175 LEU175 0.1312 2666 CA 7.5460 -2.3350 -3.3730 C.3 175 LEU175 0.0880 2667 HA 7.3472 -1.2713 -3.5036 H 175 LEU175 0.0557 2668 C 8.9920 -2.5290 -3.8150 C.2 175 LEU175 0.2187 2669 O 9.8190 -1.6340 -3.6150 O.2 175 LEU175 -0.2778 2670 CB 7.3428 -2.7158 -1.8987 C.3 175 LEU175 -0.0266 2671 HB1 8.1952 -2.3984 -1.2954 H 175 LEU175 0.0287 2672 HB2 7.3142 -3.8019 -1.8387 H 175 LEU175 0.0287 2673 CG 6.0550 -2.1310 -1.2853 C.3 175 LEU175 -0.0449 2674 HG 5.2273 -2.3045 -1.9741 H 175 LEU175 0.0296 2675 CD1 5.7095 -2.8369 0.0298 C.3 175 LEU175 -0.0626 2676 HD11 4.8079 -2.4190 0.4755 H 175 LEU175 0.0232 2677 HD12 6.5166 -2.7402 0.7564 H 175 LEU175 0.0232 2678 HD13 5.5294 -3.8969 -0.1398 H 175 LEU175 0.0232 2679 CD2 6.1655 -0.6186 -1.0482 C.3 175 LEU175 -0.0626 2680 HD21 5.2286 -0.2309 -0.6504 H 175 LEU175 0.0232 2681 HD22 6.3770 -0.0718 -1.9654 H 175 LEU175 0.0232 2682 HD23 6.9556 -0.3857 -0.3333 H 175 LEU175 0.0232 2683 N 9.2950 -3.6650 -4.4400 N.am 176 MET176 -0.2456 2684 H 8.5610 -4.3470 -4.6310 H 176 MET176 0.1312 2685 CA 10.6640 -3.9440 -4.8530 C.3 176 MET176 0.0886 2686 HA 11.3319 -3.3922 -4.1948 H 176 MET176 0.0557 2687 C 10.9840 -3.4460 -6.2700 C.2 176 MET176 0.2188 2688 O 12.0340 -3.7560 -6.7970 O.2 176 MET176 -0.2778 2689 CB 10.9794 -5.4362 -4.6789 C.3 176 MET176 -0.0199 2690 HB1 11.9387 -5.6805 -5.1356 H 176 MET176 0.0293 2691 HB2 10.2368 -6.0258 -5.2040 H 176 MET176 0.0293 2692 CG 10.9968 -5.8927 -3.2156 C.3 176 MET176 -0.0047 2693 HG1 11.3215 -6.9319 -3.1930 H 176 MET176 0.0377 2694 HG2 9.9930 -5.8727 -2.7920 H 176 MET176 0.0377 2695 SD 12.1067 -4.9119 -2.1764 S.3 176 MET176 -0.1641 2696 CE 13.6837 -5.3488 -2.9273 C.3 176 MET176 -0.0181 2697 HE1 14.4374 -5.4678 -2.1490 H 176 MET176 0.0340 2698 HE2 14.0040 -4.5663 -3.6124 H 176 MET176 0.0340 2699 HE3 13.6132 -6.2925 -3.4649 H 176 MET176 0.0340 2700 N 10.1080 -2.6410 -6.8580 N.am 177 SER177 -0.2436 2701 H 9.1820 -2.5080 -6.4510 H 177 SER177 0.1312 2702 CA 10.4710 -1.9510 -8.0810 C.3 177 SER177 0.1109 2703 HA 10.7012 -2.6977 -8.8450 H 177 SER177 0.0580 2704 C 11.6900 -1.0640 -7.8330 C.2 177 SER177 0.2210 2705 O 11.8110 -0.4300 -6.7840 O.2 177 SER177 -0.2777 2706 CB 9.2868 -1.0731 -8.5056 C.3 177 SER177 0.0681 2707 HB1 8.4268 -1.7121 -8.7305 H 177 SER177 0.0577 2708 HB2 9.0061 -0.4195 -7.6703 H 177 SER177 0.0577 2709 OG 9.6317 -0.3058 -9.6515 O.3 177 SER177 -0.3930 2710 HG 8.9535 0.3302 -9.8631 H 177 SER177 0.2095 2711 N 12.6110 -1.0100 -8.7840 N.am 178 SER178 -0.2435 2712 H 12.5050 -1.5890 -9.6170 H 178 SER178 0.1312 2713 CA 13.7880 -0.1270 -8.6590 C.3 178 SER178 0.1109 2714 HA 14.2660 -0.3684 -7.7125 H 178 SER178 0.0580 2715 C 13.3800 1.3530 -8.6390 C.2 178 SER178 0.2209 2716 O 14.1040 2.2060 -8.1080 O.2 178 SER178 -0.2777 2717 CB 14.7574 -0.3974 -9.8207 C.3 178 SER178 0.0681 2718 HB1 15.6648 0.1914 -9.6888 H 178 SER178 0.0577 2719 HB2 15.0822 -1.4476 -9.8189 H 178 SER178 0.0577 2720 OG 14.2069 -0.0150 -11.0702 O.3 178 SER178 -0.3930 2721 HG 13.7664 -0.7642 -11.4856 H 178 SER178 0.2095 2722 N 12.2240 1.6390 -9.2220 N.am 179 ILE179 -0.2453 2723 H 11.6360 0.8750 -9.5560 H 179 ILE179 0.1312 2724 CA 11.7670 3.0140 -9.4000 C.3 179 ILE179 0.0903 2725 HA 12.3904 3.6568 -8.7745 H 179 ILE179 0.0560 2726 C 10.3390 3.2040 -8.9130 C.2 179 ILE179 0.2189 2727 O 9.4360 2.4450 -9.2880 O.2 179 ILE179 -0.2778 2728 CB 11.9502 3.4887 -10.8630 C.3 179 ILE179 -0.0201 2729 HB 11.6902 4.5489 -10.8610 H 179 ILE179 0.0318 2730 CG1 11.0214 2.8336 -11.9129 C.3 179 ILE179 -0.0514 2731 HG11 11.1021 3.4052 -12.8378 H 179 ILE179 0.0266 2732 HG12 9.9790 2.9300 -11.6129 H 179 ILE179 0.0266 2733 CG2 13.4222 3.4273 -11.2966 C.3 179 ILE179 -0.0605 2734 HG21 13.5688 3.9145 -12.2606 H 179 ILE179 0.0233 2735 HG22 13.7786 2.4032 -11.3866 H 179 ILE179 0.0233 2736 HG23 14.0624 3.9253 -10.5714 H 179 ILE179 0.0233 2737 CD1 11.3210 1.3651 -12.2478 C.3 179 ILE179 -0.0650 2738 HD11 10.6275 0.9979 -13.0040 H 179 ILE179 0.0230 2739 HD12 11.2215 0.7110 -11.3851 H 179 ILE179 0.0230 2740 HD13 12.3263 1.2429 -12.6489 H 179 ILE179 0.0230 2741 N 10.1960 4.2130 -8.0480 N.am 180 LEU180 -0.2456 2742 H 11.0520 4.6750 -7.7410 H 180 LEU180 0.1312 2743 CA 8.9420 4.7240 -7.4960 C.3 180 LEU180 0.0880 2744 HA 8.6545 3.9667 -6.7659 H 180 LEU180 0.0557 2745 C 7.8510 4.8370 -8.5370 C.2 180 LEU180 0.2187 2746 O 7.7890 5.7750 -9.3290 O.2 180 LEU180 -0.2778 2747 CB 9.0743 6.0750 -6.7708 C.3 180 LEU180 -0.0266 2748 HB1 9.2991 6.8409 -7.5095 H 180 LEU180 0.0287 2749 HB2 9.8952 6.0564 -6.0604 H 180 LEU180 0.0287 2750 CG 7.8140 6.5189 -6.0035 C.3 180 LEU180 -0.0449 2751 HG 6.9602 6.5030 -6.6812 H 180 LEU180 0.0296 2752 CD1 7.4967 5.5950 -4.8179 C.3 180 LEU180 -0.0626 2753 HD11 7.2782 4.5790 -5.1454 H 180 LEU180 0.0232 2754 HD12 6.6237 5.9513 -4.2708 H 180 LEU180 0.0232 2755 HD13 8.3306 5.5524 -4.1163 H 180 LEU180 0.0232 2756 CD2 7.9754 7.9661 -5.5275 C.3 180 LEU180 -0.0626 2757 HD21 7.0469 8.3313 -5.0951 H 180 LEU180 0.0232 2758 HD22 8.2309 8.6297 -6.3537 H 180 LEU180 0.0232 2759 HD23 8.7584 8.0528 -4.7730 H 180 LEU180 0.0232 2760 N 7.0200 3.8170 -8.4980 N.am 181 THR181 -0.2434 2761 H 7.2690 3.0530 -7.8700 H 181 THR181 0.1313 2762 CA 5.8120 3.6640 -9.2360 C.3 181 THR181 0.1135 2763 HA 5.8038 4.3771 -10.0613 H 181 THR181 0.0583 2764 C 4.7290 4.0620 -8.2470 C.2 181 THR181 0.2213 2765 O 5.0310 4.6020 -7.1760 O.2 181 THR181 -0.2777 2766 CB 5.6842 2.2105 -9.7518 C.3 181 THR181 0.0763 2767 HB 4.6447 2.0009 -10.0094 H 181 THR181 0.0611 2768 OG1 6.0423 1.2618 -8.7679 O.3 181 THR181 -0.3900 2769 HG1 6.9548 1.3899 -8.5313 H 181 THR181 0.2098 2770 CG2 6.5023 1.9794 -11.0308 C.3 181 THR181 -0.0370 2771 HG21 6.4751 0.9303 -11.3267 H 181 THR181 0.0255 2772 HG22 7.5444 2.2719 -10.9101 H 181 THR181 0.0255 2773 HG23 6.0994 2.5657 -11.8562 H 181 THR181 0.0255 2774 N 3.4750 3.7920 -8.5760 N.am 182 SER182 -0.2435 2775 H 3.2190 3.6430 -9.5520 H 182 SER182 0.1312 2776 CA 2.4680 3.7100 -7.5340 C.3 182 SER182 0.1109 2777 HA 2.6490 4.4987 -6.8014 H 182 SER182 0.0580 2778 C 2.6570 2.3500 -6.8480 C.2 182 SER182 0.2209 2779 O 3.3010 1.4560 -7.4040 O.2 182 SER182 -0.2777 2780 CB 1.0549 3.8652 -8.1182 C.3 182 SER182 0.0681 2781 HB1 0.3150 3.6822 -7.3290 H 182 SER182 0.0577 2782 HB2 0.9294 4.8996 -8.4518 H 182 SER182 0.0577 2783 OG 0.8465 2.9954 -9.2240 O.3 182 SER182 -0.3930 2784 HG -0.0673 2.9920 -9.4987 H 182 SER182 0.2095 2785 N 2.1270 2.2010 -5.6410 N.am 183 ILE183 -0.2453 2786 H 1.7350 3.0130 -5.1640 H 183 ILE183 0.1312 2787 CA 2.0930 0.9000 -4.9830 C.3 183 ILE183 0.0903 2788 HA 2.6489 0.1763 -5.5802 H 183 ILE183 0.0560 2789 C 0.6490 0.4320 -4.9380 C.2 183 ILE183 0.2189 2790 O -0.2310 1.1610 -4.4830 O.2 183 ILE183 -0.2778 2791 CB 2.7318 0.9716 -3.5778 C.3 183 ILE183 -0.0201 2792 HB 2.1681 1.7016 -2.9947 H 183 ILE183 0.0318 2793 CG1 4.1910 1.4729 -3.6263 C.3 183 ILE183 -0.0514 2794 HG11 4.5716 1.5566 -2.6078 H 183 ILE183 0.0266 2795 HG12 4.2249 2.4842 -4.0328 H 183 ILE183 0.0266 2796 CG2 2.6436 -0.3729 -2.8278 C.3 183 ILE183 -0.0605 2797 HG21 3.1421 -0.3162 -1.8600 H 183 ILE183 0.0233 2798 HG22 3.1096 -1.1789 -3.3952 H 183 ILE183 0.0233 2799 HG23 1.6090 -0.6614 -2.6403 H 183 ILE183 0.0233 2800 CD1 5.1404 0.5775 -4.4374 C.3 183 ILE183 -0.0650 2801 HD11 6.1622 0.9543 -4.3871 H 183 ILE183 0.0230 2802 HD12 4.8638 0.5392 -5.4907 H 183 ILE183 0.0230 2803 HD13 5.1503 -0.4430 -4.0573 H 183 ILE183 0.0230 2804 N 0.4150 -0.7790 -5.4320 N.am 184 ASP184 -0.2451 2805 H 1.1880 -1.2910 -5.8570 H 184 ASP184 0.1312 2806 CA -0.8970 -1.4060 -5.3920 C.3 184 ASP184 0.0974 2807 HA -1.6204 -0.6557 -5.7182 H 184 ASP184 0.0563 2808 C -1.2080 -1.7980 -3.9500 C.2 184 ASP184 0.2192 2809 O -0.6300 -2.7490 -3.4340 O.2 184 ASP184 -0.2778 2810 CB -0.9704 -2.6281 -6.3512 C.3 184 ASP184 0.0576 2811 HB1 -0.1816 -3.3359 -6.1032 H 184 ASP184 0.0394 2812 HB2 -1.9130 -3.1540 -6.2051 H 184 ASP184 0.0394 2813 CG -0.8747 -2.3091 -7.8762 C.2 184 ASP184 0.1780 2814 OD1 -0.8091 -1.1600 -8.2702 O.co2 184 ASP184 -0.6478 2815 OD2 -0.8572 -3.2186 -8.7059 O.co2 184 ASP184 -0.6478 2816 N -2.1220 -1.0690 -3.3070 N.am 185 ALA185 -0.2459 2817 H -2.5930 -0.3130 -3.8040 H 185 ALA185 0.1312 2818 CA -2.4680 -1.3260 -1.9030 C.3 185 ALA185 0.0850 2819 HA -1.5490 -1.1897 -1.3305 H 185 ALA185 0.0554 2820 C -2.9790 -2.7430 -1.6350 C.2 185 ALA185 0.2185 2821 O -2.7260 -3.3040 -0.5650 O.2 185 ALA185 -0.2778 2822 CB -3.5109 -0.2942 -1.4602 C.3 185 ALA185 -0.0411 2823 HB1 -3.7542 -0.4036 -0.4028 H 185 ALA185 0.0249 2824 HB2 -4.4350 -0.3930 -2.0308 H 185 ALA185 0.0249 2825 HB3 -3.1374 0.7191 -1.6091 H 185 ALA185 0.0249 2826 N -3.6750 -3.3190 -2.6150 N.am 186 SER186 -0.2436 2827 H -3.8290 -2.7940 -3.4760 H 186 SER186 0.1312 2828 CA -4.2280 -4.6710 -2.5120 C.3 186 SER186 0.1109 2829 HA -4.6061 -4.7975 -1.4963 H 186 SER186 0.0580 2830 C -3.1930 -5.7680 -2.7760 C.2 186 SER186 0.2209 2831 O -3.4410 -6.9390 -2.4790 O.2 186 SER186 -0.2777 2832 CB -5.3812 -4.8159 -3.5175 C.3 186 SER186 0.0681 2833 HB1 -5.8590 -5.7904 -3.3975 H 186 SER186 0.0577 2834 HB2 -6.1635 -4.0745 -3.3245 H 186 SER186 0.0577 2835 OG -4.9482 -4.7230 -4.8649 O.3 186 SER186 -0.3930 2836 HG -4.5032 -3.8941 -5.0108 H 186 SER186 0.2095 2837 N -2.0510 -5.3890 -3.3540 N.am 187 LYS187 -0.2456 2838 H -1.9400 -4.4140 -3.6320 H 187 LYS187 0.1312 2839 CA -0.9540 -6.3220 -3.6020 C.3 187 LYS187 0.0880 2840 HA -0.9292 -7.0405 -2.7822 H 187 LYS187 0.0557 2841 C 0.3800 -5.5570 -3.6420 C.2 187 LYS187 0.2213 2842 O 0.9210 -5.3040 -4.7180 O.2 187 LYS187 -0.2776 2843 CB -1.1866 -7.0711 -4.9296 C.3 187 LYS187 -0.0289 2844 HB1 -2.1844 -7.5113 -4.9156 H 187 LYS187 0.0285 2845 HB2 -1.1893 -6.3598 -5.7576 H 187 LYS187 0.0285 2846 CG -0.1566 -8.1880 -5.1979 C.3 187 LYS187 -0.0496 2847 HG1 -0.2135 -8.9271 -4.3980 H 187 LYS187 0.0266 2848 HG2 0.8550 -7.7828 -5.1698 H 187 LYS187 0.0266 2849 CD -0.3833 -8.8712 -6.5550 C.3 187 LYS187 -0.0278 2850 HD1 -0.2904 -8.1351 -7.3554 H 187 LYS187 0.0282 2851 HD2 -1.4101 -9.2367 -6.5990 H 187 LYS187 0.0282 2852 CE 0.5697 -10.0453 -6.8271 C.3 187 LYS187 0.1103 2853 HE1 0.2855 -10.5330 -7.7621 H 187 LYS187 0.0559 2854 HE2 0.5097 -10.7959 -6.0370 H 187 LYS187 0.0559 2855 NZ 1.9608 -9.6351 -6.9679 N.4 187 LYS187 -0.0749 2856 HZ1 2.5436 -10.4055 -7.3618 H 187 LYS187 0.2742 2857 HZ2 2.3611 -9.2879 -6.0749 H 187 LYS187 0.2742 2858 HZ3 2.0433 -8.9148 -7.7162 H 187 LYS187 0.2742 2859 N 0.8910 -5.1370 -2.4650 N.am 188 PRO188 -0.2316 2860 CA 2.1440 -4.3750 -2.4620 C.3 188 PRO188 0.0907 2861 HA 2.0602 -3.5617 -3.1859 H 188 PRO188 0.0559 2862 C 3.4130 -5.1750 -2.7650 C.2 188 PRO188 0.2189 2863 O 4.4360 -4.5630 -3.0470 O.2 188 PRO188 -0.2778 2864 CB 2.1787 -3.8229 -1.0299 C.3 188 PRO188 -0.0276 2865 HB1 1.6813 -2.8523 -1.0123 H 188 PRO188 0.0285 2866 HB2 3.1834 -3.6756 -0.6357 H 188 PRO188 0.0285 2867 CG 1.3630 -4.8138 -0.2000 C.3 188 PRO188 -0.0379 2868 HG1 1.9960 -5.6515 0.0934 H 188 PRO188 0.0278 2869 HG2 0.9588 -4.3691 0.7094 H 188 PRO188 0.0278 2870 CD 0.2744 -5.3039 -1.1538 C.3 188 PRO188 0.0071 2871 HD1 -0.0235 -6.3338 -0.9785 H 188 PRO188 0.0431 2872 HD2 -0.6016 -4.6549 -1.1286 H 188 PRO188 0.0431 2873 N 3.3410 -6.5000 -2.7360 N.am 189 TRP189 -0.2453 2874 H 2.4440 -6.9390 -2.5270 H 189 TRP189 0.1312 2875 CA 4.5050 -7.3580 -2.9940 C.3 189 TRP189 0.0918 2876 HA 5.3722 -6.7246 -3.1964 H 189 TRP189 0.0560 2877 C 4.2950 -8.2610 -4.2070 C.2 189 TRP189 0.2191 2878 O 3.2160 -8.8260 -4.4020 O.2 189 TRP189 -0.2778 2879 CB 4.8289 -8.2658 -1.7903 C.3 189 TRP189 -0.0021 2880 HB1 5.7318 -8.8451 -1.9922 H 189 TRP189 0.0334 2881 HB2 4.0385 -8.9979 -1.6231 H 189 TRP189 0.0334 2882 CG 5.0498 -7.4882 -0.5080 C.ar 189 TRP189 -0.0260 2883 CD1 4.1985 -7.5020 0.5995 C.ar 189 TRP189 -0.0136 2884 HD1 3.2565 -8.0265 0.6643 H 189 TRP189 0.0748 2885 CD2 6.2117 -6.7228 -0.1162 C.ar 189 TRP189 -0.0028 2886 NE1 4.7758 -6.8255 1.6186 N.ar 189 TRP189 -0.2641 2887 HE1 4.3897 -6.7222 2.5123 H 189 TRP189 0.1331 2888 CE2 6.0167 -6.3434 1.2339 C.ar 189 TRP189 0.0269 2889 CE3 7.3689 -6.3698 -0.7581 C.ar 189 TRP189 -0.0528 2890 HE3 7.5209 -6.6474 -1.7914 H 189 TRP189 0.0624 2891 CZ2 6.9840 -5.6418 1.9011 C.ar 189 TRP189 -0.0430 2892 HZ2 6.8283 -5.3635 2.9328 H 189 TRP189 0.0633 2893 CZ3 8.3644 -5.6662 -0.0773 C.ar 189 TRP189 -0.0611 2894 HZ3 9.2820 -5.4005 -0.5820 H 189 TRP189 0.0618 2895 CH2 8.1722 -5.3005 1.2547 C.ar 189 TRP189 -0.0602 2896 HH2 8.9425 -4.7557 1.7818 H 189 TRP189 0.0618 2897 N 5.3530 -8.4100 -4.9910 N.am 190 SER190 -0.2436 2898 H 6.2100 -7.9110 -4.7550 H 190 SER190 0.1312 2899 CA 5.3420 -9.2570 -6.1770 C.3 190 SER190 0.1109 2900 HA 4.4364 -9.0500 -6.7351 H 190 SER190 0.0580 2901 C 5.4500 -10.7380 -5.8120 C.2 190 SER190 0.2209 2902 O 5.8650 -11.1090 -4.7080 O.2 190 SER190 -0.2777 2903 CB 6.5815 -8.8977 -6.9962 C.3 190 SER190 0.0681 2904 HB1 6.5360 -7.8475 -7.2875 H 190 SER190 0.0577 2905 HB2 6.6529 -9.4863 -7.9145 H 190 SER190 0.0577 2906 OG 7.7028 -9.1688 -6.1743 O.3 190 SER190 -0.3930 2907 HG 8.4491 -8.6132 -6.4121 H 190 SER190 0.2095 2908 N 5.1220 -11.5840 -6.7860 N.am 191 LYS191 -0.2456 2909 H 4.6920 -11.2130 -7.6330 H 191 LYS191 0.1312 2910 CA 5.3530 -13.0190 -6.6900 C.3 191 LYS191 0.0878 2911 HA 4.9362 -13.2972 -5.7255 H 191 LYS191 0.0557 2912 C 6.8590 -13.3130 -6.5980 C.2 191 LYS191 0.2187 2913 O 7.2880 -14.2110 -5.8650 O.2 191 LYS191 -0.2778 2914 CB 4.6475 -13.8403 -7.7800 C.3 191 LYS191 -0.0289 2915 HB1 5.0597 -13.5788 -8.7556 H 191 LYS191 0.0285 2916 HB2 3.5939 -13.5624 -7.8112 H 191 LYS191 0.0285 2917 CG 4.7647 -15.3685 -7.5591 C.3 191 LYS191 -0.0496 2918 HG1 4.2845 -15.8764 -8.3961 H 191 LYS191 0.0266 2919 HG2 5.8135 -15.6618 -7.6174 H 191 LYS191 0.0266 2920 CD 4.1405 -15.8828 -6.2373 C.3 191 LYS191 -0.0278 2921 HD1 3.6912 -15.0556 -5.6924 H 191 LYS191 0.0282 2922 HD2 3.3034 -16.5446 -6.4623 H 191 LYS191 0.0282 2923 CE 5.1389 -16.6349 -5.3317 C.3 191 LYS191 0.1103 2924 HE1 6.0901 -16.1105 -5.3051 H 191 LYS191 0.0559 2925 HE2 5.3406 -17.6309 -5.7288 H 191 LYS191 0.0559 2926 NZ 4.7146 -16.7727 -3.9414 N.4 191 LYS191 -0.0749 2927 HZ1 5.3915 -17.2926 -3.3546 H 191 LYS191 0.2742 2928 HZ2 3.7751 -17.2171 -3.8316 H 191 LYS191 0.2742 2929 HZ3 4.5466 -15.8424 -3.5032 H 191 LYS191 0.2742 2930 N 7.6870 -12.5390 -7.3120 N.am 192 CYS192 -0.2448 2931 H 7.3070 -11.8280 -7.9370 H 192 CYS192 0.1312 2932 CA 9.1260 -12.7100 -7.1980 C.3 192 CYS192 0.0975 2933 HA 9.3508 -13.7409 -7.4516 H 192 CYS192 0.0566 2934 C 9.5660 -12.4850 -5.7440 C.2 192 CYS192 0.2196 2935 O 10.3580 -13.2490 -5.2080 O.2 192 CYS192 -0.2778 2936 CB 9.8596 -11.7346 -8.1374 C.3 192 CYS192 0.0279 2937 HB1 9.4085 -11.7743 -9.1286 H 192 CYS192 0.0405 2938 HB2 9.7423 -10.7056 -7.7909 H 192 CYS192 0.0405 2939 SG 11.6308 -12.0948 -8.3188 S.3 192 CYS192 -0.0910 2940 N 9.0150 -11.4550 -5.1060 N.am 193 THR193 -0.2434 2941 H 8.3730 -10.8410 -5.6070 H 193 THR193 0.1313 2942 CA 9.3150 -11.1880 -3.6930 C.3 193 THR193 0.1135 2943 HA 10.3984 -11.1148 -3.6144 H 193 THR193 0.0583 2944 C 8.8700 -12.3330 -2.7870 C.2 193 THR193 0.2213 2945 O 9.6710 -12.8480 -1.9970 O.2 193 THR193 -0.2777 2946 CB 8.6753 -9.8525 -3.2432 C.3 193 THR193 0.0763 2947 HB 7.6544 -9.7758 -3.6307 H 193 THR193 0.0611 2948 OG1 9.4291 -8.7399 -3.6949 O.3 193 THR193 -0.3900 2949 HG1 9.4733 -8.7236 -4.6530 H 193 THR193 0.2098 2950 CG2 8.5866 -9.7193 -1.7144 C.3 193 THR193 -0.0370 2951 HG21 7.7902 -10.3384 -1.3011 H 193 THR193 0.0255 2952 HG22 8.3865 -8.6948 -1.4225 H 193 THR193 0.0255 2953 HG23 9.5166 -10.0186 -1.2375 H 193 THR193 0.0255 2954 N 7.6160 -12.7590 -2.9170 N.am 194 SER194 -0.2435 2955 H 7.0030 -12.3650 -3.6310 H 194 SER194 0.1312 2956 CA 7.1340 -13.8080 -2.0100 C.3 194 SER194 0.1109 2957 HA 7.3587 -13.4548 -1.0008 H 194 SER194 0.0580 2958 C 7.9240 -15.1080 -2.1660 C.2 194 SER194 0.2209 2959 O 8.2950 -15.7160 -1.1750 O.2 194 SER194 -0.2777 2960 CB 5.6182 -13.9655 -2.0877 C.3 194 SER194 0.0681 2961 HB1 5.1832 -13.0518 -1.6682 H 194 SER194 0.0577 2962 HB2 5.3066 -14.7944 -1.4461 H 194 SER194 0.0577 2963 OG 5.1573 -14.1701 -3.4166 O.3 194 SER194 -0.3930 2964 HG 4.1973 -14.1272 -3.4198 H 194 SER194 0.2095 2965 N 8.2030 -15.5180 -3.4020 N.am 195 ALA195 -0.2459 2966 H 7.8450 -14.9870 -4.1950 H 195 ALA195 0.1312 2967 CA 9.0130 -16.7150 -3.6500 C.3 195 ALA195 0.0850 2968 HA 8.5279 -17.5533 -3.1483 H 195 ALA195 0.0554 2969 C 10.4380 -16.5940 -3.0970 C.2 195 ALA195 0.2185 2970 O 10.9740 -17.5370 -2.5050 O.2 195 ALA195 -0.2778 2971 CB 9.0868 -16.9612 -5.1583 C.3 195 ALA195 -0.0411 2972 HB1 9.6926 -17.8402 -5.3872 H 195 ALA195 0.0249 2973 HB2 9.5319 -16.1066 -5.6705 H 195 ALA195 0.0249 2974 HB3 8.0967 -17.1250 -5.5790 H 195 ALA195 0.0249 2975 N 11.0370 -15.4160 -3.2680 N.am 196 THR196 -0.2434 2976 H 10.5240 -14.6500 -3.7040 H 196 THR196 0.1313 2977 CA 12.4150 -15.2060 -2.8410 C.3 196 THR196 0.1135 2978 HA 13.0069 -16.0383 -3.2318 H 196 THR196 0.0583 2979 C 12.5270 -15.1990 -1.3070 C.2 196 THR196 0.2212 2980 O 13.4640 -15.8030 -0.7550 O.2 196 THR196 -0.2777 2981 CB 12.9328 -13.8723 -3.4189 C.3 196 THR196 0.0763 2982 HB 12.2651 -13.0827 -3.0517 H 196 THR196 0.0611 2983 OG1 12.8817 -13.9366 -4.8359 O.3 196 THR196 -0.3900 2984 HG1 12.9401 -13.0700 -5.2249 H 196 THR196 0.2098 2985 CG2 14.3851 -13.5647 -3.0121 C.3 196 THR196 -0.0370 2986 HG21 14.4922 -13.4603 -1.9326 H 196 THR196 0.0255 2987 HG22 14.7398 -12.6376 -3.4609 H 196 THR196 0.0255 2988 HG23 15.0522 -14.3639 -3.3359 H 196 THR196 0.0255 2989 N 11.5860 -14.5220 -0.6370 N.am 197 ILE197 -0.2453 2990 H 10.8880 -13.9970 -1.1640 H 197 ILE197 0.1312 2991 CA 11.5250 -14.5100 0.8380 C.3 197 ILE197 0.0903 2992 HA 12.4948 -14.1313 1.1651 H 197 ILE197 0.0560 2993 C 11.4230 -15.9390 1.3700 C.2 197 ILE197 0.2190 2994 O 12.1310 -16.3180 2.3280 O.2 197 ILE197 -0.2778 2995 CB 10.4145 -13.6117 1.4367 C.3 197 ILE197 -0.0201 2996 HB 9.4602 -13.9184 1.0048 H 197 ILE197 0.0318 2997 CG1 10.6456 -12.1307 1.0777 C.3 197 ILE197 -0.0514 2998 HG11 10.2578 -11.9739 0.0788 H 197 ILE197 0.0266 2999 HG12 11.7121 -11.9033 1.0495 H 197 ILE197 0.0266 3000 CG2 10.3016 -13.7867 2.9679 C.3 197 ILE197 -0.0605 3001 HG21 9.4443 -13.2404 3.3571 H 197 ILE197 0.0233 3002 HG22 11.1993 -13.4337 3.4760 H 197 ILE197 0.0233 3003 HG23 10.1407 -14.8226 3.2609 H 197 ILE197 0.0233 3004 CD1 9.9515 -11.1207 1.9967 C.3 197 ILE197 -0.0650 3005 HD11 10.0138 -10.1099 1.5982 H 197 ILE197 0.0230 3006 HD12 10.3965 -11.1068 2.9916 H 197 ILE197 0.0230 3007 HD13 8.9002 -11.3698 2.0964 H 197 ILE197 0.0230 3008 N 10.5250 -16.7210 0.7710 N.am 198 THR198 -0.2434 3009 H 10.0050 -16.3690 -0.0330 H 198 THR198 0.1313 3010 CA 10.2790 -18.0750 1.2530 C.3 198 THR198 0.1135 3011 HA 9.9786 -17.9974 2.2982 H 198 THR198 0.0583 3012 C 11.5770 -18.8810 1.1850 C.2 198 THR198 0.2212 3013 O 11.9390 -19.5650 2.1460 O.2 198 THR198 -0.2777 3014 CB 9.1521 -18.7183 0.4229 C.3 198 THR198 0.0763 3015 HB 9.4232 -18.7169 -0.6404 H 198 THR198 0.0611 3016 OG1 7.9398 -18.0047 0.6058 O.3 198 THR198 -0.3900 3017 HG1 8.0595 -17.0899 0.3582 H 198 THR198 0.2098 3018 CG2 8.8670 -20.1664 0.8383 C.3 198 THR198 -0.0370 3019 HG21 9.7258 -20.8127 0.6557 H 198 THR198 0.0255 3020 HG22 8.0266 -20.5701 0.2741 H 198 THR198 0.0255 3021 HG23 8.6193 -20.2271 1.8979 H 198 THR198 0.0255 3022 N 12.2870 -18.7920 0.0560 N.am 199 GLU199 -0.2456 3023 H 11.9400 -18.2070 -0.7050 H 199 GLU199 0.1312 3024 CA 13.5470 -19.5100 -0.1170 C.3 199 GLU199 0.0883 3025 HA 13.3548 -20.5633 0.0927 H 199 GLU199 0.0557 3026 C 14.6270 -19.0360 0.8440 C.2 199 GLU199 0.2187 3027 O 15.3810 -19.8360 1.3840 O.2 199 GLU199 -0.2778 3028 CB 13.9221 -19.3296 -1.6046 C.3 199 GLU199 -0.0193 3029 HB1 13.9591 -18.2620 -1.8278 H 199 GLU199 0.0290 3030 HB2 14.9206 -19.7189 -1.8057 H 199 GLU199 0.0290 3031 CG 12.9041 -20.0280 -2.5435 C.3 199 GLU199 0.0356 3032 HG1 11.8899 -19.9263 -2.1617 H 199 GLU199 0.0374 3033 HG2 13.1079 -21.0968 -2.5770 H 199 GLU199 0.0374 3034 CD 12.8599 -19.5083 -3.9960 C.2 199 GLU199 0.1760 3035 OE1 13.7071 -18.7077 -4.3859 O.co2 199 GLU199 -0.6478 3036 OE2 11.9576 -19.9183 -4.7297 O.co2 199 GLU199 -0.6478 3037 N 14.6990 -17.7230 1.0490 N.am 200 PHE200 -0.2453 3038 H 14.0390 -17.1180 0.5610 H 200 PHE200 0.1312 3039 CA 15.6820 -17.1070 1.9430 C.3 200 PHE200 0.0917 3040 HA 16.6725 -17.3796 1.5735 H 200 PHE200 0.0560 3041 C 15.5240 -17.6340 3.3690 C.2 200 PHE200 0.2190 3042 O 16.5020 -18.0060 4.0220 O.2 200 PHE200 -0.2778 3043 CB 15.4535 -15.5868 1.8673 C.3 200 PHE200 -0.0036 3044 HB1 14.4283 -15.3442 2.1449 H 200 PHE200 0.0333 3045 HB2 15.5601 -15.2618 0.8316 H 200 PHE200 0.0333 3046 CG 16.3970 -14.7759 2.7161 C.ar 200 PHE200 -0.0454 3047 CD1 17.6717 -14.4751 2.2503 C.ar 200 PHE200 -0.0585 3048 HD1 18.0069 -14.8744 1.3035 H 200 PHE200 0.0620 3049 CD2 15.9879 -14.2646 3.9454 C.ar 200 PHE200 -0.0585 3050 HD2 14.9963 -14.4847 4.3115 H 200 PHE200 0.0620 3051 CE1 18.5174 -13.6583 2.9877 C.ar 200 PHE200 -0.0615 3052 HE1 19.5105 -13.4450 2.6209 H 200 PHE200 0.0618 3053 CE2 16.8342 -13.4505 4.6884 C.ar 200 PHE200 -0.0615 3054 HE2 16.5077 -13.0499 5.6360 H 200 PHE200 0.0618 3055 CZ 18.0964 -13.1362 4.2025 C.ar 200 PHE200 -0.0617 3056 HZ 18.7611 -12.5009 4.7692 H 200 PHE200 0.0618 3057 N 14.2840 -17.6680 3.8440 N.am 201 LEU201 -0.2456 3058 H 13.5140 -17.3270 3.2690 H 201 LEU201 0.1312 3059 CA 14.0110 -18.1890 5.1840 C.3 201 LEU201 0.0880 3060 HA 14.7019 -17.7089 5.8757 H 201 LEU201 0.0557 3061 C 14.2520 -19.6960 5.2700 C.2 201 LEU201 0.2187 3062 O 14.8850 -20.1700 6.2140 O.2 201 LEU201 -0.2778 3063 CB 12.5492 -17.8010 5.4777 C.3 201 LEU201 -0.0266 3064 HB1 11.9197 -18.2142 4.6865 H 201 LEU201 0.0287 3065 HB2 12.1982 -18.2745 6.3841 H 201 LEU201 0.0287 3066 CG 12.2946 -16.2776 5.5655 C.3 201 LEU201 -0.0449 3067 HG 12.5342 -15.8305 4.6024 H 201 LEU201 0.0296 3068 CD1 10.8097 -15.9965 5.8323 C.3 201 LEU201 -0.0626 3069 HD11 10.6067 -14.9251 5.8372 H 201 LEU201 0.0232 3070 HD12 10.4964 -16.4028 6.7936 H 201 LEU201 0.0232 3071 HD13 10.1845 -16.4450 5.0589 H 201 LEU201 0.0232 3072 CD2 13.1782 -15.5652 6.6008 C.3 201 LEU201 -0.0626 3073 HD21 12.9316 -14.5044 6.6550 H 201 LEU201 0.0232 3074 HD22 14.2332 -15.6303 6.3369 H 201 LEU201 0.0232 3075 HD23 13.0535 -15.9835 7.5953 H 201 LEU201 0.0232 3076 N 13.8020 -20.4230 4.2510 N.am 202 ASP202 -0.2451 3077 H 13.2630 -19.9620 3.5180 H 202 ASP202 0.1312 3078 CA 14.0540 -21.8640 4.1450 C.3 202 ASP202 0.0974 3079 HA 14.1168 -22.1034 5.2073 H 202 ASP202 0.0563 3080 C 15.5460 -22.2160 4.1120 C.2 202 ASP202 0.2192 3081 O 15.9640 -23.2430 4.6680 O.2 202 ASP202 -0.2778 3082 CB 12.7431 -22.7073 4.1100 C.3 202 ASP202 0.0576 3083 HB1 12.2709 -22.5929 3.1356 H 202 ASP202 0.0394 3084 HB2 12.9696 -23.7663 4.2277 H 202 ASP202 0.0394 3085 CG 11.6573 -22.3068 5.2287 C.2 202 ASP202 0.1780 3086 OD1 11.9260 -21.5370 6.1702 O.co2 202 ASP202 -0.6478 3087 OD2 10.5176 -22.7760 5.1637 O.co2 202 ASP202 -0.6478 3088 N 16.3490 -21.3850 3.4510 N.am 203 ASP203 -0.2451 3089 H 15.9430 -20.5690 2.9920 H 203 ASP203 0.1312 3090 CA 17.7930 -21.6010 3.3600 C.3 203 ASP203 0.0974 3091 HA 17.9088 -22.6765 3.2145 H 203 ASP203 0.0563 3092 C 18.5280 -21.2660 4.6590 C.2 203 ASP203 0.2190 3093 O 19.7430 -21.4550 4.7410 O.2 203 ASP203 -0.2778 3094 CB 18.3790 -20.8936 2.1178 C.3 203 ASP203 0.0576 3095 HB1 17.6604 -20.9430 1.3022 H 203 ASP203 0.0394 3096 HB2 18.5502 -19.8370 2.3154 H 203 ASP203 0.0394 3097 CG 19.6751 -21.5453 1.5718 C.2 203 ASP203 0.1780 3098 OD1 19.8514 -22.7548 1.7171 O.co2 203 ASP203 -0.6478 3099 OD2 20.5005 -20.8383 0.9944 O.co2 203 ASP203 -0.6478 3100 N 17.8060 -20.7380 5.6500 N.am 204 GLY204 -0.2485 3101 H 16.8260 -20.5110 5.4800 H 204 GLY204 0.1309 3102 CA 18.3780 -20.4740 6.9770 C.3 204 GLY204 0.0765 3103 HA1 19.1050 -21.2561 7.2016 H 204 GLY204 0.0521 3104 HA2 17.5573 -20.5648 7.6867 H 204 GLY204 0.0521 3105 C 19.0300 -19.1150 7.1460 C.2 204 GLY204 0.2155 3106 O 19.8540 -18.9370 8.0460 O.2 204 GLY204 -0.2781 3107 N 18.6700 -18.1540 6.2950 N.am 205 HIS205 -0.2455 3108 H 17.9550 -18.3410 5.5920 H 205 HIS205 0.1312 3109 CA 19.2940 -16.8330 6.3630 C.3 205 HIS205 0.0932 3110 HA 20.3060 -16.9369 6.7593 H 205 HIS205 0.0561 3111 C 18.5450 -15.8140 7.2170 C.2 205 HIS205 0.2188 3112 O 19.0100 -14.6790 7.3890 O.2 205 HIS205 -0.2778 3113 CB 19.3707 -16.2398 4.9469 C.3 205 HIS205 0.0146 3114 HB1 19.8910 -15.2818 4.9592 H 205 HIS205 0.0348 3115 HB2 18.3629 -16.0646 4.5722 H 205 HIS205 0.0348 3116 CG 20.0682 -17.1257 3.9394 C.ar 205 HIS205 0.0551 3117 ND1 19.9928 -16.8834 2.6133 N.ar 205 HIS205 -0.2469 3118 CD2 20.8171 -18.3006 4.1341 C.ar 205 HIS205 0.0047 3119 HD2 21.0367 -18.7965 5.0670 H 205 HIS205 0.0764 3120 CE1 20.6104 -17.9166 2.0173 C.ar 205 HIS205 0.0737 3121 HE1 20.6296 -18.1000 0.9516 H 205 HIS205 0.0963 3122 NE2 21.1257 -18.7758 2.9104 N.ar 205 HIS205 -0.2539 3123 HE2 21.5246 -19.6467 2.6858 H 205 HIS205 0.1339 3124 N 17.4010 -16.2250 7.7580 N.am 206 GLY206 -0.2485 3125 H 17.0440 -17.1520 7.5280 H 206 GLY206 0.1309 3126 CA 16.6470 -15.3740 8.6750 C.3 206 GLY206 0.0765 3127 HA1 17.1013 -14.3843 8.7524 H 206 GLY206 0.0521 3128 HA2 15.6574 -15.2468 8.2386 H 206 GLY206 0.0521 3129 C 16.5050 -15.9610 10.0640 C.2 206 GLY206 0.2155 3130 O 15.5270 -15.6920 10.7490 O.2 206 GLY206 -0.2781 3131 N 17.4680 -16.7650 10.4920 N.am 207 ASN207 -0.2454 3132 H 18.2930 -16.9210 9.9130 H 207 ASN207 0.1312 3133 CA 17.3540 -17.4280 11.7870 C.3 207 ASN207 0.0957 3134 HA 16.3462 -17.8445 11.8299 H 207 ASN207 0.0562 3135 C 17.3890 -16.4450 12.9670 C.2 207 ASN207 0.2192 3136 O 16.8140 -16.6970 14.0270 O.2 207 ASN207 -0.2778 3137 CB 18.3598 -18.5806 11.8832 C.3 207 ASN207 0.0446 3138 HB1 19.3742 -18.2372 11.6778 H 207 ASN207 0.0375 3139 HB2 18.3500 -19.0295 12.8766 H 207 ASN207 0.0375 3140 CG 17.9559 -19.6620 10.8638 C.2 207 ASN207 0.2000 3141 OD1 16.8099 -19.7370 10.4325 O.2 207 ASN207 -0.2797 3142 ND2 18.9534 -20.4825 10.5081 N.am 207 ASN207 -0.2723 3143 HD21 19.8784 -20.3891 10.8747 H 207 ASN207 0.1266 3144 HD22 18.7771 -21.2104 9.8451 H 207 ASN207 0.1266 3145 N 18.0270 -15.2950 12.7670 N.am 208 CYS208 -0.2448 3146 H 18.4630 -15.1120 11.8630 H 208 CYS208 0.1312 3147 CA 18.1110 -14.2920 13.8240 C.3 208 CYS208 0.0975 3148 HA 18.3470 -14.8190 14.7780 H 208 CYS208 0.0566 3149 C 16.7780 -13.5560 14.0090 C.2 208 CYS208 0.2195 3150 O 16.6610 -12.7220 14.9050 O.2 208 CYS208 -0.2778 3151 CB 19.2400 -13.2970 13.5440 C.3 208 CYS208 0.0279 3152 HB1 19.5130 -12.7510 14.4770 H 208 CYS208 0.0405 3153 HB2 20.1320 -13.8930 13.2410 H 208 CYS208 0.0405 3154 SG 18.9120 -12.1370 12.2240 S.3 208 CYS208 -0.0910 3155 N 15.7900 -13.8660 13.1750 N.am 209 LEU209 -0.2456 3156 H 15.9530 -14.5690 12.4540 H 209 LEU209 0.1312 3157 CA 14.4800 -13.2310 13.2610 C.3 209 LEU209 0.0880 3158 HA 14.5765 -12.2771 13.7839 H 209 LEU209 0.0557 3159 C 13.4640 -14.0870 14.0170 C.2 209 LEU209 0.2187 3160 O 12.2960 -13.7250 14.1270 O.2 209 LEU209 -0.2778 3161 CB 13.9643 -12.9686 11.8333 C.3 209 LEU209 -0.0266 3162 HB1 13.6431 -13.9116 11.3923 H 209 LEU209 0.0287 3163 HB2 13.0765 -12.3362 11.8863 H 209 LEU209 0.0287 3164 CG 14.9896 -12.3223 10.8804 C.3 209 LEU209 -0.0449 3165 HG 15.8645 -12.9686 10.8038 H 209 LEU209 0.0296 3166 CD1 14.4079 -12.2076 9.4651 C.3 209 LEU209 -0.0626 3167 HD11 15.1564 -11.8363 8.7659 H 209 LEU209 0.0232 3168 HD12 13.5577 -11.5250 9.4408 H 209 LEU209 0.0232 3169 HD13 14.0718 -13.1774 9.0973 H 209 LEU209 0.0232 3170 CD2 15.4650 -10.9553 11.3910 C.3 209 LEU209 -0.0626 3171 HD21 15.9686 -11.0367 12.3546 H 209 LEU209 0.0232 3172 HD22 14.6289 -10.2693 11.5127 H 209 LEU209 0.0232 3173 HD23 16.1713 -10.5018 10.6963 H 209 LEU209 0.0232 3174 N 13.9200 -15.2200 14.5410 N.am 210 LEU210 -0.2456 3175 H 14.9180 -15.4250 14.4960 H 210 LEU210 0.1312 3176 CA 13.0210 -16.1780 15.1810 C.3 210 LEU210 0.0880 3177 HA 12.0975 -16.1946 14.6011 H 210 LEU210 0.0557 3178 C 12.6270 -15.7780 16.6010 C.2 210 LEU210 0.2187 3179 O 11.5130 -16.1000 17.0500 O.2 210 LEU210 -0.2778 3180 CB 13.6865 -17.5654 15.1546 C.3 210 LEU210 -0.0266 3181 HB1 13.1084 -18.2753 15.7477 H 210 LEU210 0.0287 3182 HB2 14.6607 -17.4895 15.6410 H 210 LEU210 0.0287 3183 CG 13.8683 -18.1321 13.7309 C.3 210 LEU210 -0.0449 3184 HG 14.3195 -17.3645 13.1008 H 210 LEU210 0.0296 3185 CD1 14.8256 -19.3314 13.7371 C.3 210 LEU210 -0.0626 3186 HD11 15.7993 -19.0585 14.1444 H 210 LEU210 0.0232 3187 HD12 14.9886 -19.7111 12.7279 H 210 LEU210 0.0232 3188 HD13 14.4320 -20.1484 14.3420 H 210 LEU210 0.0232 3189 CD2 12.5253 -18.5373 13.1080 C.3 210 LEU210 -0.0626 3190 HD21 11.8312 -17.7011 13.0478 H 210 LEU210 0.0232 3191 HD22 12.0508 -19.3175 13.6986 H 210 LEU210 0.0232 3192 HD23 12.6611 -18.9276 12.1001 H 210 LEU210 0.0232 3193 N 13.5070 -15.0670 17.3060 N.am 211 ASP211 -0.2451 3194 H 14.3900 -14.7860 16.8800 H 211 ASP211 0.1312 3195 CA 13.2110 -14.6860 18.6930 C.3 211 ASP211 0.0974 3196 HA 12.6400 -15.5320 19.1420 H 211 ASP211 0.0563 3197 C 12.3170 -13.4580 18.7870 C.2 211 ASP211 0.2192 3198 O 12.1590 -12.7040 17.8330 O.2 211 ASP211 -0.2778 3199 CB 14.4890 -14.5180 19.5370 C.3 211 ASP211 0.0576 3200 HB1 15.1310 -15.4270 19.4660 H 211 ASP211 0.0394 3201 HB2 14.1710 -14.4210 20.6010 H 211 ASP211 0.0394 3202 CG 15.2820 -13.2730 19.1920 C.2 211 ASP211 0.1780 3203 OD1 15.3940 -12.9340 17.9980 O.co2 211 ASP211 -0.6478 3204 OD2 15.8190 -12.6400 20.1310 O.co2 211 ASP211 -0.6478 3205 N 11.7380 -13.2790 19.9640 N.am 212 LEU212 -0.2456 3206 H 11.9720 -13.9140 20.7270 H 212 LEU212 0.1312 3207 CA 10.7820 -12.2130 20.2110 C.3 212 LEU212 0.0883 3208 HA 10.3844 -11.8999 19.2464 H 212 LEU212 0.0557 3209 C 11.4880 -11.0380 20.8560 C.2 212 LEU212 0.2214 3210 O 12.4200 -11.2350 21.6380 O.2 212 LEU212 -0.2776 3211 CB 9.6437 -12.7380 21.1007 C.3 212 LEU212 -0.0266 3212 HB1 10.0560 -13.0535 22.0604 H 212 LEU212 0.0287 3213 HB2 8.9494 -11.9272 21.3255 H 212 LEU212 0.0287 3214 CG 8.8600 -13.9101 20.4773 C.3 212 LEU212 -0.0449 3215 HG 9.5483 -14.7396 20.3121 H 212 LEU212 0.0296 3216 CD1 7.7786 -14.4036 21.4465 C.3 212 LEU212 -0.0626 3217 HD11 8.2135 -14.7094 22.3984 H 212 LEU212 0.0232 3218 HD12 7.2430 -15.2602 21.0369 H 212 LEU212 0.0232 3219 HD13 7.0474 -13.6208 21.6514 H 212 LEU212 0.0232 3220 CD2 8.2377 -13.5401 19.1214 C.3 212 LEU212 -0.0626 3221 HD21 9.0004 -13.3404 18.3687 H 212 LEU212 0.0232 3222 HD22 7.6068 -12.6548 19.2045 H 212 LEU212 0.0232 3223 HD23 7.6207 -14.3532 18.7387 H 212 LEU212 0.0232 3224 N 11.0380 -9.8090 20.5560 N.am 213 PRO213 -0.2316 3225 CA 11.6620 -8.6410 21.1850 C.3 213 PRO213 0.0907 3226 HA 12.7244 -8.6501 21.0432 H 213 PRO213 0.0559 3227 C 11.4010 -8.6430 22.6800 C.2 213 PRO213 0.2189 3228 O 10.3210 -9.0370 23.1170 O.2 213 PRO213 -0.2778 3229 CB 10.9723 -7.4607 20.4848 C.3 213 PRO213 -0.0276 3230 HB1 11.5687 -7.1520 19.6272 H 213 PRO213 0.0285 3231 HB2 10.8450 -6.5818 21.1193 H 213 PRO213 0.0285 3232 CG 9.6413 -8.0264 19.9872 C.3 213 PRO213 -0.0379 3233 HG1 9.2289 -7.4777 19.1422 H 213 PRO213 0.0278 3234 HG2 8.9103 -7.9801 20.7955 H 213 PRO213 0.0278 3235 CD 9.9356 -9.4902 19.6549 C.3 213 PRO213 0.0071 3236 HD1 9.0821 -10.1407 19.8493 H 213 PRO213 0.0431 3237 HD2 10.3007 -9.6209 18.6348 H 213 PRO213 0.0431 3238 N 12.3630 -8.2030 23.4740 N.am 214 ARG214 -0.2456 3239 H 13.2580 -7.9080 23.0840 H 214 ARG214 0.1312 3240 CA 12.1330 -8.1440 24.9070 C.3 214 ARG214 0.0879 3241 HA 11.5551 -9.0348 25.1678 H 214 ARG214 0.0557 3242 C 11.1960 -6.9950 25.2780 C.2 214 ARG214 0.2187 3243 O 10.3510 -7.1300 26.1810 O.2 214 ARG214 -0.2778 3244 CB 13.4480 -8.2611 25.6937 C.3 214 ARG214 -0.0258 3245 HB1 13.2937 -7.9730 26.7348 H 214 ARG214 0.0286 3246 HB2 14.1805 -7.5711 25.2804 H 214 ARG214 0.0286 3247 CG 13.9485 -9.7225 25.6346 C.3 214 ARG214 -0.0154 3248 HG1 13.9413 -10.0519 24.5962 H 214 ARG214 0.0299 3249 HG2 13.2357 -10.3703 26.1467 H 214 ARG214 0.0299 3250 CD 15.3501 -9.9965 26.1911 C.3 214 ARG214 0.1045 3251 HD1 16.0812 -9.3106 25.7603 H 214 ARG214 0.0711 3252 HD2 15.6393 -11.0168 25.9208 H 214 ARG214 0.0711 3253 NE 15.3999 -9.8365 27.6472 N.pl3 214 ARG214 -0.4450 3254 HE 14.8324 -9.1452 28.0921 H 214 ARG214 0.3153 3255 CZ 16.1925 -10.5647 28.4397 C.cat 214 ARG214 0.5062 3256 NH1 16.9213 -11.5434 27.9923 N.pl3 214 ARG214 -0.4573 3257 HH11 17.5726 -12.0804 28.5300 H 214 ARG214 0.3114 3258 HH12 16.8947 -11.8561 27.0366 H 214 ARG214 0.3114 3259 NH2 16.2466 -10.2899 29.7124 N.pl3 214 ARG214 -0.4573 3260 HH21 16.8330 -10.8563 30.2860 H 214 ARG214 0.3114 3261 HH22 15.7188 -9.5376 30.0955 H 214 ARG214 0.3114 3262 N 11.3220 -5.8940 24.5390 N.am 215 LYS215 -0.2457 3263 H 11.8330 -5.9580 23.6580 H 215 LYS215 0.1312 3264 CA 10.7660 -4.5980 24.9250 C.3 215 LYS215 0.0878 3265 HA 9.8528 -4.7815 25.4945 H 215 LYS215 0.0557 3266 C 10.3830 -3.7330 23.7050 C.2 215 LYS215 0.2187 3267 O 10.9760 -2.6940 23.4580 O.2 215 LYS215 -0.2778 3268 CB 11.8377 -3.9545 25.8194 C.3 215 LYS215 -0.0289 3269 HB1 12.7289 -3.7262 25.2327 H 215 LYS215 0.0285 3270 HB2 12.1517 -4.7167 26.5348 H 215 LYS215 0.0285 3271 CG 11.3973 -2.7138 26.6101 C.3 215 LYS215 -0.0496 3272 HG1 10.3130 -2.7203 26.7291 H 215 LYS215 0.0266 3273 HG2 11.6356 -1.8090 26.0492 H 215 LYS215 0.0266 3274 CD 12.0424 -2.6848 28.0070 C.3 215 LYS215 -0.0278 3275 HD1 11.6751 -3.5530 28.5569 H 215 LYS215 0.0282 3276 HD2 11.6962 -1.8109 28.5597 H 215 LYS215 0.0282 3277 CE 13.5809 -2.7181 27.9888 C.3 215 LYS215 0.1103 3278 HE1 13.9955 -1.7226 27.8220 H 215 LYS215 0.0559 3279 HE2 13.9529 -3.3555 27.1856 H 215 LYS215 0.0559 3280 NZ 14.1284 -3.2618 29.2280 N.4 215 LYS215 -0.0749 3281 HZ1 15.1627 -3.3830 29.1608 H 215 LYS215 0.2742 3282 HZ2 13.8168 -4.2535 29.3443 H 215 LYS215 0.2742 3283 HZ3 13.8724 -2.6996 30.0566 H 215 LYS215 0.2742 3284 N 9.3960 -4.1960 22.9430 N.am 216 GLN216 -0.2456 3285 H 9.0170 -5.1190 23.1560 H 216 GLN216 0.1312 3286 CA 8.8220 -3.4570 21.8150 C.3 216 GLN216 0.0882 3287 HA 9.6457 -3.4178 21.0992 H 216 GLN216 0.0557 3288 C 8.4890 -2.0100 22.1430 C.2 216 GLN216 0.2187 3289 O 7.7540 -1.7680 23.0940 O.2 216 GLN216 -0.2778 3290 CB 7.6659 -4.1943 21.1330 C.3 216 GLN216 -0.0210 3291 HB1 6.7751 -4.1737 21.7624 H 216 GLN216 0.0289 3292 HB2 7.9440 -5.2427 21.0161 H 216 GLN216 0.0289 3293 CG 7.3709 -3.5833 19.7488 C.3 216 GLN216 0.0225 3294 HG1 8.2852 -3.5118 19.1594 H 216 GLN216 0.0356 3295 HG2 6.9830 -2.5672 19.8466 H 216 GLN216 0.0356 3296 CD 6.3776 -4.4410 18.9578 C.2 216 GLN216 0.1981 3297 OE1 6.6630 -5.5664 18.5661 O.2 216 GLN216 -0.2798 3298 NE2 5.1986 -3.8380 18.7482 N.am 216 GLN216 -0.2724 3299 HE21 4.4686 -4.3054 18.2543 H 216 GLN216 0.1266 3300 HE22 5.0488 -2.9077 19.0878 H 216 GLN216 0.1266 3301 N 8.9790 -1.0640 21.3370 N.am 217 ILE217 -0.2437 3302 H 9.6170 -1.3390 20.5900 H 217 ILE217 0.1312 3303 CA 8.6340 0.3600 21.4840 C.3 217 ILE217 0.1031 3304 HA 8.3502 0.5447 22.5209 H 217 ILE217 0.0579 3305 C 7.4580 0.7220 20.5810 C.2 217 ILE217 0.1946 3306 O 7.4750 0.4500 19.3790 O.co2 217 ILE217 -0.6467 3307 CB 9.8782 1.2125 21.1164 C.3 217 ILE217 -0.0183 3308 HB 10.1321 0.9875 20.0792 H 217 ILE217 0.0318 3309 CG1 11.0998 0.8363 21.9831 C.3 217 ILE217 -0.0514 3310 HG11 11.3058 -0.2304 21.8915 H 217 ILE217 0.0266 3311 HG12 10.8702 1.0100 23.0345 H 217 ILE217 0.0266 3312 CG2 9.5848 2.7245 21.1988 C.3 217 ILE217 -0.0605 3313 HG21 10.4339 3.3200 20.8672 H 217 ILE217 0.0233 3314 HG22 9.3375 3.0198 22.2182 H 217 ILE217 0.0233 3315 HG23 8.7468 3.0065 20.5608 H 217 ILE217 0.0233 3316 CD1 12.3821 1.5887 21.6052 C.3 217 ILE217 -0.0650 3317 HD11 13.2310 1.2059 22.1708 H 217 ILE217 0.0230 3318 HD12 12.3044 2.6538 21.8195 H 217 ILE217 0.0230 3319 HD13 12.6038 1.4727 20.5451 H 217 ILE217 0.0230 3320 OXT 6.4954 1.3020 21.0841 O.co2 217 ILE217 -0.6467 3321 ZN 16.6100 -1.3650 -4.2900 Zn 218 ZN218 2.0000 3322 CA 16.4180 -11.2190 16.6900 Ca 219 CA219 2.0000 3323 CA 16.4260 -10.3940 20.3300 Ca 220 CA220 2.0000 3324 CA 18.5980 11.2020 -3.5770 Ca 221 CA221 2.0000 3325 O 15.0490 -10.6400 22.2220 O.t3p 222 HOH222 -0.4105 3326 H1 15.9990 -10.6400 22.2220 H.t3p 222 HOH222 0.2052 3327 H2 14.8030 -9.7220 22.2220 H.t3p 222 HOH222 0.2052 3328 O 16.4060 12.2110 -3.9970 O.t3p 223 HOH223 -0.4105 3329 H1 17.3560 12.2110 -3.9970 H.t3p 223 HOH223 0.2052 3330 H2 16.1600 13.1290 -3.9970 H.t3p 223 HOH223 0.2052 @BOND 1 1 5 1 2 1 2 1 3 1 3 1 4 1 4 1 5 5 7 1 6 5 9 1 7 5 6 1 8 7 8 2 9 7 14 am 10 9 12 1 11 9 10 1 12 9 11 1 13 12 13 1 14 14 16 1 15 14 15 1 16 16 20 1 17 16 18 1 18 16 17 1 19 18 19 2 20 18 38 am 21 20 23 1 22 20 21 1 23 20 22 1 24 23 26 1 25 23 24 1 26 23 25 1 27 26 29 1 28 26 27 1 29 26 28 1 30 29 31 ar 31 29 30 1 32 31 32 ar 33 31 35 ar 34 32 33 1 35 32 34 1 36 35 36 1 37 35 37 1 38 38 40 1 39 38 39 1 40 40 42 1 41 40 44 1 42 40 41 1 43 42 43 2 44 42 48 am 45 44 45 1 46 44 46 1 47 44 47 1 48 48 50 1 49 48 49 1 50 50 54 1 51 50 52 1 52 50 51 1 53 52 53 2 54 52 72 am 55 54 57 1 56 54 55 1 57 54 56 1 58 57 60 1 59 57 58 1 60 57 59 1 61 60 63 1 62 60 61 1 63 60 62 1 64 63 65 ar 65 63 64 1 66 65 69 ar 67 65 66 ar 68 66 67 1 69 66 68 1 70 69 70 1 71 69 71 1 72 72 74 1 73 72 73 1 74 74 76 1 75 74 78 1 76 74 75 1 77 76 77 2 78 76 89 am 79 78 81 1 80 78 79 1 81 78 80 1 82 81 84 1 83 81 82 1 84 81 83 1 85 84 86 am 86 84 85 2 87 86 87 1 88 86 88 1 89 89 91 1 90 89 90 1 91 91 95 1 92 91 93 1 93 91 92 1 94 93 105 am 95 93 94 2 96 95 101 1 97 95 97 1 98 95 96 1 99 97 98 1 100 97 99 1 101 97 100 1 102 101 102 1 103 101 103 1 104 101 104 1 105 105 107 1 106 105 106 1 107 107 109 1 108 107 111 1 109 107 108 1 110 109 110 2 111 109 120 am 112 111 114 1 113 111 112 1 114 111 113 1 115 114 117 1 116 114 115 1 117 114 116 1 118 117 118 ar 119 117 119 ar 120 120 122 1 121 120 121 1 122 122 126 1 123 122 124 1 124 122 123 1 125 124 139 am 126 124 125 2 127 126 129 1 128 126 127 1 129 126 128 1 130 129 131 1 131 129 135 1 132 129 130 1 133 131 132 1 134 131 133 1 135 131 134 1 136 135 136 1 137 135 137 1 138 135 138 1 139 139 141 1 140 139 140 1 141 141 143 1 142 141 145 1 143 141 142 1 144 143 158 am 145 143 144 2 146 145 148 1 147 145 146 1 148 145 147 1 149 148 150 1 150 148 154 1 151 148 149 1 152 150 151 1 153 150 152 1 154 150 153 1 155 154 155 1 156 154 156 1 157 154 157 1 158 158 160 1 159 158 159 1 160 160 162 1 161 160 164 1 162 160 161 1 163 162 177 am 164 162 163 2 165 164 167 1 166 164 165 1 167 164 166 1 168 167 169 1 169 167 173 1 170 167 168 1 171 169 170 1 172 169 171 1 173 169 172 1 174 173 174 1 175 173 175 1 176 173 176 1 177 177 179 1 178 177 178 1 179 179 181 1 180 179 183 1 181 179 180 1 182 181 182 2 183 181 193 am 184 183 189 1 185 183 185 1 186 183 184 1 187 185 186 1 188 185 187 1 189 185 188 1 190 189 190 1 191 189 191 1 192 189 192 1 193 193 195 1 194 193 194 1 195 195 199 1 196 195 197 1 197 195 196 1 198 197 198 2 199 197 203 am 200 199 200 1 201 199 201 1 202 199 202 1 203 203 205 1 204 203 204 1 205 205 209 1 206 205 207 1 207 205 206 1 208 207 208 2 209 207 215 am 210 209 212 1 211 209 210 1 212 209 211 1 213 212 213 ar 214 212 214 ar 215 215 217 1 216 215 216 1 217 217 219 1 218 217 221 1 219 217 218 1 220 219 225 am 221 219 220 2 222 221 222 1 223 221 223 1 224 221 224 1 225 225 227 1 226 225 226 1 227 227 229 1 228 227 231 1 229 227 228 1 230 229 236 am 231 229 230 2 232 231 234 1 233 231 232 1 234 231 233 1 235 234 235 1 236 236 238 1 237 236 237 1 238 238 242 1 239 238 240 1 240 238 239 1 241 240 241 2 242 240 253 am 243 242 245 1 244 242 243 1 245 242 244 1 246 245 248 1 247 245 246 1 248 245 247 1 249 248 249 1 250 249 250 1 251 249 251 1 252 249 252 1 253 253 255 1 254 253 254 1 255 255 257 1 256 255 259 1 257 255 256 1 258 257 258 2 259 257 263 am 260 259 260 1 261 259 261 1 262 259 262 1 263 263 265 1 264 263 264 1 265 265 267 1 266 265 269 1 267 265 266 1 268 267 287 am 269 267 268 2 270 269 272 1 271 269 270 1 272 269 271 1 273 272 275 1 274 272 273 1 275 272 274 1 276 275 278 1 277 275 276 1 278 275 277 1 279 278 280 ar 280 278 279 1 281 280 281 ar 282 280 284 ar 283 281 282 1 284 281 283 1 285 284 285 1 286 284 286 1 287 287 289 1 288 287 288 1 289 289 293 1 290 289 291 1 291 289 290 1 292 291 292 2 293 291 309 am 294 293 296 1 295 293 294 1 296 293 295 1 297 296 299 1 298 296 297 1 299 296 298 1 300 299 302 1 301 299 300 1 302 299 301 1 303 302 305 1 304 302 303 1 305 302 304 1 306 305 306 1 307 305 307 1 308 305 308 1 309 309 311 1 310 309 310 1 311 311 315 1 312 311 313 1 313 311 312 1 314 313 314 2 315 313 330 am 316 315 318 1 317 315 316 1 318 315 317 1 319 318 319 ar 320 318 321 ar 321 319 323 ar 322 319 320 1 323 321 325 ar 324 321 322 1 325 323 327 ar 326 323 324 1 327 325 327 ar 328 325 326 1 329 327 328 1 330 328 329 1 331 330 332 1 332 330 331 1 333 332 335 1 334 332 333 1 335 332 334 1 336 335 336 2 337 335 337 am 338 337 339 1 339 337 338 1 340 339 341 1 341 339 343 1 342 339 340 1 343 341 361 am 344 341 342 2 345 343 346 1 346 343 344 1 347 343 345 1 348 346 349 1 349 346 347 1 350 346 348 1 351 349 352 1 352 349 350 1 353 349 351 1 354 352 354 ar 355 352 353 1 356 354 355 ar 357 354 358 ar 358 355 356 1 359 355 357 1 360 358 359 1 361 358 360 1 362 361 363 1 363 361 362 1 364 363 366 1 365 363 364 1 366 363 365 1 367 366 367 2 368 366 368 am 369 368 370 1 370 368 369 1 371 370 372 1 372 370 374 1 373 370 371 1 374 372 373 2 375 372 387 am 376 374 377 1 377 374 375 1 378 374 376 1 379 377 379 1 380 377 383 1 381 377 378 1 382 379 380 1 383 379 381 1 384 379 382 1 385 383 384 1 386 383 385 1 387 383 386 1 388 387 389 1 389 387 388 1 390 389 391 1 391 389 393 1 392 389 390 1 393 391 392 2 394 391 404 am 395 393 396 1 396 393 394 1 397 393 395 1 398 396 399 1 399 396 397 1 400 396 398 1 401 399 400 2 402 399 401 am 403 401 402 1 404 401 403 1 405 404 406 1 406 404 405 1 407 406 408 1 408 406 410 1 409 406 407 1 410 408 409 2 411 408 421 am 412 410 413 1 413 410 411 1 414 410 412 1 415 413 414 ar 416 413 415 ar 417 414 417 ar 418 415 419 ar 419 415 416 1 420 417 419 ar 421 417 418 1 422 419 420 1 423 421 423 1 424 421 422 1 425 423 425 1 426 423 427 1 427 423 424 1 428 425 426 2 429 425 442 am 430 427 430 1 431 427 428 1 432 427 429 1 433 430 431 ar 434 430 433 ar 435 431 435 ar 436 431 432 1 437 433 437 ar 438 433 434 1 439 435 439 ar 440 435 436 1 441 437 439 ar 442 437 438 1 443 439 440 1 444 440 441 1 445 442 444 1 446 442 443 1 447 444 446 1 448 444 448 1 449 444 445 1 450 446 461 am 451 446 447 2 452 448 451 1 453 448 449 1 454 448 450 1 455 451 457 1 456 451 453 1 457 451 452 1 458 453 454 1 459 453 455 1 460 453 456 1 461 457 458 1 462 457 459 1 463 457 460 1 464 461 463 1 465 461 462 1 466 463 465 1 467 463 467 1 468 463 464 1 469 465 466 2 470 465 480 am 471 467 470 1 472 467 468 1 473 467 469 1 474 470 472 1 475 470 476 1 476 470 471 1 477 472 473 1 478 472 474 1 479 472 475 1 480 476 477 1 481 476 478 1 482 476 479 1 483 480 482 1 484 480 481 1 485 482 484 1 486 482 486 1 487 482 483 1 488 484 485 2 489 484 494 am 490 486 490 1 491 486 488 1 492 486 487 1 493 488 489 1 494 490 491 1 495 490 492 1 496 490 493 1 497 494 496 1 498 494 495 1 499 496 498 1 500 496 500 1 501 496 497 1 502 498 499 2 503 498 513 am 504 500 503 1 505 500 501 1 506 500 502 1 507 503 509 1 508 503 505 1 509 503 504 1 510 505 506 1 511 505 507 1 512 505 508 1 513 509 510 1 514 509 511 1 515 509 512 1 516 513 515 1 517 513 514 1 518 515 517 1 519 515 519 1 520 515 516 1 521 517 518 2 522 517 523 am 523 519 520 1 524 519 521 1 525 519 522 1 526 523 525 1 527 523 524 1 528 525 527 1 529 525 529 1 530 525 526 1 531 527 528 2 532 527 534 am 533 529 532 1 534 529 530 1 535 529 531 1 536 532 533 1 537 534 536 1 538 534 535 1 539 536 538 1 540 536 540 1 541 536 537 1 542 538 539 2 543 538 553 am 544 540 545 1 545 540 542 1 546 540 541 1 547 542 549 1 548 542 543 1 549 542 544 1 550 545 546 1 551 545 547 1 552 545 548 1 553 549 550 1 554 549 551 1 555 549 552 1 556 553 555 1 557 553 554 1 558 555 559 1 559 555 557 1 560 555 556 1 561 557 558 2 562 557 563 am 563 559 560 1 564 559 561 1 565 559 562 1 566 563 565 1 567 563 564 1 568 565 567 1 569 565 569 1 570 565 566 1 571 567 568 2 572 567 577 am 573 569 572 1 574 569 570 1 575 569 571 1 576 572 573 2 577 572 574 am 578 574 575 1 579 574 576 1 580 577 579 1 581 577 578 1 582 579 581 1 583 579 583 1 584 579 580 1 585 581 582 2 586 581 601 am 587 583 586 1 588 583 584 1 589 583 585 1 590 586 589 1 591 586 587 1 592 586 588 1 593 589 592 1 594 589 590 1 595 589 591 1 596 592 594 ar 597 592 593 1 598 594 595 ar 599 594 598 ar 600 595 596 1 601 595 597 1 602 598 599 1 603 598 600 1 604 601 603 1 605 601 602 1 606 603 605 1 607 603 607 1 608 603 604 1 609 605 606 2 610 605 620 am 611 607 610 1 612 607 608 1 613 607 609 1 614 610 612 1 615 610 616 1 616 610 611 1 617 612 613 1 618 612 614 1 619 612 615 1 620 616 617 1 621 616 618 1 622 616 619 1 623 620 622 1 624 620 621 1 625 622 624 1 626 622 626 1 627 622 623 1 628 624 625 2 629 624 641 am 630 626 629 1 631 626 627 1 632 626 628 1 633 629 632 ar 634 629 630 ar 635 630 634 ar 636 630 631 1 637 632 636 ar 638 632 633 1 639 634 638 ar 640 634 635 1 641 636 638 ar 642 636 637 1 643 638 639 1 644 639 640 1 645 641 643 1 646 641 642 1 647 643 645 1 648 643 647 1 649 643 644 1 650 645 646 2 651 645 652 am 652 647 650 1 653 647 648 1 654 647 649 1 655 650 651 1 656 652 654 1 657 652 653 1 658 654 658 1 659 654 656 1 660 654 655 1 661 656 669 am 662 656 657 2 663 658 661 1 664 658 659 1 665 658 660 1 666 661 662 ar 667 661 663 ar 668 662 665 ar 669 663 667 ar 670 663 664 1 671 665 667 ar 672 665 666 1 673 667 668 1 674 669 671 1 675 669 670 1 676 671 673 1 677 671 675 1 678 671 672 1 679 673 674 2 680 673 679 am 681 675 676 1 682 675 677 1 683 675 678 1 684 679 681 1 685 679 680 1 686 681 685 1 687 681 683 1 688 681 682 1 689 683 684 2 690 683 690 am 691 685 688 1 692 685 686 1 693 685 687 1 694 688 689 1 695 690 692 1 696 690 691 1 697 692 694 1 698 692 696 1 699 692 693 1 700 694 709 am 701 694 695 2 702 696 698 1 703 696 701 1 704 696 697 1 705 698 705 1 706 698 699 1 707 698 700 1 708 701 702 1 709 701 703 1 710 701 704 1 711 705 706 1 712 705 707 1 713 705 708 1 714 709 711 1 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2863 2832 2833 1 2864 2832 2834 1 2865 2835 2836 1 2866 2837 2839 1 2867 2837 2838 1 2868 2839 2843 1 2869 2839 2841 1 2870 2839 2840 1 2871 2841 2859 am 2872 2841 2842 2 2873 2843 2846 1 2874 2843 2844 1 2875 2843 2845 1 2876 2846 2849 1 2877 2846 2847 1 2878 2846 2848 1 2879 2849 2852 1 2880 2849 2850 1 2881 2849 2851 1 2882 2852 2855 1 2883 2852 2853 1 2884 2852 2854 1 2885 2855 2856 1 2886 2855 2857 1 2887 2855 2858 1 2888 2859 2870 1 2889 2859 2860 1 2890 2860 2862 1 2891 2860 2864 1 2892 2860 2861 1 2893 2862 2863 2 2894 2862 2873 am 2895 2864 2867 1 2896 2864 2865 1 2897 2864 2866 1 2898 2867 2870 1 2899 2867 2868 1 2900 2867 2869 1 2901 2870 2871 1 2902 2870 2872 1 2903 2873 2875 1 2904 2873 2874 1 2905 2875 2877 1 2906 2875 2879 1 2907 2875 2876 1 2908 2877 2897 am 2909 2877 2878 2 2910 2879 2882 1 2911 2879 2880 1 2912 2879 2881 1 2913 2882 2883 ar 2914 2882 2885 ar 2915 2883 2886 ar 2916 2883 2884 1 2917 2885 2888 ar 2918 2885 2889 ar 2919 2886 2888 ar 2920 2886 2887 1 2921 2888 2891 ar 2922 2889 2893 ar 2923 2889 2890 1 2924 2891 2895 ar 2925 2891 2892 1 2926 2893 2895 ar 2927 2893 2894 1 2928 2895 2896 1 2929 2897 2899 1 2930 2897 2898 1 2931 2899 2901 1 2932 2899 2903 1 2933 2899 2900 1 2934 2901 2908 am 2935 2901 2902 2 2936 2903 2906 1 2937 2903 2904 1 2938 2903 2905 1 2939 2906 2907 1 2940 2908 2910 1 2941 2908 2909 1 2942 2910 2914 1 2943 2910 2912 1 2944 2910 2911 1 2945 2912 2913 2 2946 2912 2930 am 2947 2914 2917 1 2948 2914 2915 1 2949 2914 2916 1 2950 2917 2920 1 2951 2917 2918 1 2952 2917 2919 1 2953 2920 2923 1 2954 2920 2921 1 2955 2920 2922 1 2956 2923 2926 1 2957 2923 2924 1 2958 2923 2925 1 2959 2926 2927 1 2960 2926 2928 1 2961 2926 2929 1 2962 2930 2932 1 2963 2930 2931 1 2964 2932 2934 1 2965 2932 2936 1 2966 2932 2933 1 2967 2934 2935 2 2968 2934 2940 am 2969 2936 2939 1 2970 2936 2937 1 2971 2936 2938 1 2972 2940 2942 1 2973 2940 2941 1 2974 2942 2944 1 2975 2942 2946 1 2976 2942 2943 1 2977 2944 2954 am 2978 2944 2945 2 2979 2946 2950 1 2980 2946 2948 1 2981 2946 2947 1 2982 2948 2949 1 2983 2950 2951 1 2984 2950 2952 1 2985 2950 2953 1 2986 2954 2956 1 2987 2954 2955 1 2988 2956 2958 1 2989 2956 2960 1 2990 2956 2957 1 2991 2958 2959 2 2992 2958 2965 am 2993 2960 2963 1 2994 2960 2961 1 2995 2960 2962 1 2996 2963 2964 1 2997 2965 2967 1 2998 2965 2966 1 2999 2967 2971 1 3000 2967 2969 1 3001 2967 2968 1 3002 2969 2970 2 3003 2969 2975 am 3004 2971 2972 1 3005 2971 2973 1 3006 2971 2974 1 3007 2975 2977 1 3008 2975 2976 1 3009 2977 2979 1 3010 2977 2981 1 3011 2977 2978 1 3012 2979 2980 2 3013 2979 2989 am 3014 2981 2983 1 3015 2981 2985 1 3016 2981 2982 1 3017 2983 2984 1 3018 2985 2986 1 3019 2985 2987 1 3020 2985 2988 1 3021 2989 2991 1 3022 2989 2990 1 3023 2991 2993 1 3024 2991 2995 1 3025 2991 2992 1 3026 2993 2994 2 3027 2993 3008 am 3028 2995 2997 1 3029 2995 3000 1 3030 2995 2996 1 3031 2997 3004 1 3032 2997 2998 1 3033 2997 2999 1 3034 3000 3001 1 3035 3000 3002 1 3036 3000 3003 1 3037 3004 3005 1 3038 3004 3006 1 3039 3004 3007 1 3040 3008 3010 1 3041 3008 3009 1 3042 3010 3012 1 3043 3010 3014 1 3044 3010 3011 1 3045 3012 3013 2 3046 3012 3022 am 3047 3014 3018 1 3048 3014 3016 1 3049 3014 3015 1 3050 3016 3017 1 3051 3018 3019 1 3052 3018 3020 1 3053 3018 3021 1 3054 3022 3024 1 3055 3022 3023 1 3056 3024 3028 1 3057 3024 3026 1 3058 3024 3025 1 3059 3026 3027 2 3060 3026 3037 am 3061 3028 3031 1 3062 3028 3029 1 3063 3028 3030 1 3064 3031 3034 1 3065 3031 3032 1 3066 3031 3033 1 3067 3034 3035 ar 3068 3034 3036 ar 3069 3037 3039 1 3070 3037 3038 1 3071 3039 3043 1 3072 3039 3041 1 3073 3039 3040 1 3074 3041 3042 2 3075 3041 3057 am 3076 3043 3046 1 3077 3043 3044 1 3078 3043 3045 1 3079 3046 3047 ar 3080 3046 3049 ar 3081 3047 3051 ar 3082 3047 3048 1 3083 3049 3053 ar 3084 3049 3050 1 3085 3051 3055 ar 3086 3051 3052 1 3087 3053 3055 ar 3088 3053 3054 1 3089 3055 3056 1 3090 3057 3059 1 3091 3057 3058 1 3092 3059 3061 1 3093 3059 3063 1 3094 3059 3060 1 3095 3061 3062 2 3096 3061 3076 am 3097 3063 3066 1 3098 3063 3064 1 3099 3063 3065 1 3100 3066 3068 1 3101 3066 3072 1 3102 3066 3067 1 3103 3068 3069 1 3104 3068 3070 1 3105 3068 3071 1 3106 3072 3073 1 3107 3072 3074 1 3108 3072 3075 1 3109 3076 3078 1 3110 3076 3077 1 3111 3078 3082 1 3112 3078 3080 1 3113 3078 3079 1 3114 3080 3081 2 3115 3080 3088 am 3116 3082 3085 1 3117 3082 3083 1 3118 3082 3084 1 3119 3085 3087 ar 3120 3085 3086 ar 3121 3088 3090 1 3122 3088 3089 1 3123 3090 3094 1 3124 3090 3092 1 3125 3090 3091 1 3126 3092 3093 2 3127 3092 3100 am 3128 3094 3097 1 3129 3094 3095 1 3130 3094 3096 1 3131 3097 3098 ar 3132 3097 3099 ar 3133 3100 3102 1 3134 3100 3101 1 3135 3102 3105 1 3136 3102 3103 1 3137 3102 3104 1 3138 3105 3107 am 3139 3105 3106 2 3140 3107 3109 1 3141 3107 3108 1 3142 3109 3113 1 3143 3109 3111 1 3144 3109 3110 1 3145 3111 3124 am 3146 3111 3112 2 3147 3113 3116 1 3148 3113 3114 1 3149 3113 3115 1 3150 3116 3117 ar 3151 3116 3118 ar 3152 3117 3120 ar 3153 3118 3122 ar 3154 3118 3119 1 3155 3120 3122 ar 3156 3120 3121 1 3157 3122 3123 1 3158 3124 3126 1 3159 3124 3125 1 3160 3126 3129 1 3161 3126 3127 1 3162 3126 3128 1 3163 3129 3130 2 3164 3129 3131 am 3165 3131 3133 1 3166 3131 3132 1 3167 3133 3135 1 3168 3133 3137 1 3169 3133 3134 1 3170 3135 3136 2 3171 3135 3145 am 3172 3137 3140 1 3173 3137 3138 1 3174 3137 3139 1 3175 3140 3141 2 3176 3140 3142 am 3177 3142 3143 1 3178 3142 3144 1 3179 3145 3147 1 3180 3145 3146 1 3181 3147 3149 1 3182 3147 3151 1 3183 3147 3148 1 3184 3149 3150 2 3185 3149 3155 am 3186 3151 3154 1 3187 3151 3152 1 3188 3151 3153 1 3189 3155 3157 1 3190 3155 3156 1 3191 3157 3159 1 3192 3157 3161 1 3193 3157 3158 1 3194 3159 3174 am 3195 3159 3160 2 3196 3161 3164 1 3197 3161 3162 1 3198 3161 3163 1 3199 3164 3166 1 3200 3164 3170 1 3201 3164 3165 1 3202 3166 3167 1 3203 3166 3168 1 3204 3166 3169 1 3205 3170 3171 1 3206 3170 3172 1 3207 3170 3173 1 3208 3174 3176 1 3209 3174 3175 1 3210 3176 3180 1 3211 3176 3178 1 3212 3176 3177 1 3213 3178 3179 2 3214 3178 3193 am 3215 3180 3183 1 3216 3180 3181 1 3217 3180 3182 1 3218 3183 3185 1 3219 3183 3189 1 3220 3183 3184 1 3221 3185 3186 1 3222 3185 3187 1 3223 3185 3188 1 3224 3189 3190 1 3225 3189 3191 1 3226 3189 3192 1 3227 3193 3195 1 3228 3193 3194 1 3229 3195 3197 1 3230 3195 3199 1 3231 3195 3196 1 3232 3197 3198 2 3233 3197 3205 am 3234 3199 3202 1 3235 3199 3200 1 3236 3199 3201 1 3237 3202 3203 ar 3238 3202 3204 ar 3239 3205 3207 1 3240 3205 3206 1 3241 3207 3211 1 3242 3207 3209 1 3243 3207 3208 1 3244 3209 3210 2 3245 3209 3224 am 3246 3211 3214 1 3247 3211 3212 1 3248 3211 3213 1 3249 3214 3216 1 3250 3214 3220 1 3251 3214 3215 1 3252 3216 3217 1 3253 3216 3218 1 3254 3216 3219 1 3255 3220 3221 1 3256 3220 3222 1 3257 3220 3223 1 3258 3224 3225 1 3259 3224 3235 1 3260 3225 3227 1 3261 3225 3229 1 3262 3225 3226 1 3263 3227 3228 2 3264 3227 3238 am 3265 3229 3232 1 3266 3229 3230 1 3267 3229 3231 1 3268 3232 3235 1 3269 3232 3233 1 3270 3232 3234 1 3271 3235 3236 1 3272 3235 3237 1 3273 3238 3240 1 3274 3238 3239 1 3275 3240 3244 1 3276 3240 3242 1 3277 3240 3241 1 3278 3242 3243 2 3279 3242 3262 am 3280 3244 3247 1 3281 3244 3245 1 3282 3244 3246 1 3283 3247 3250 1 3284 3247 3248 1 3285 3247 3249 1 3286 3250 3253 1 3287 3250 3251 1 3288 3250 3252 1 3289 3253 3255 ar 3290 3253 3254 1 3291 3255 3259 ar 3292 3255 3256 ar 3293 3256 3257 1 3294 3256 3258 1 3295 3259 3260 1 3296 3259 3261 1 3297 3262 3264 1 3298 3262 3263 1 3299 3264 3266 1 3300 3264 3268 1 3301 3264 3265 1 3302 3266 3284 am 3303 3266 3267 2 3304 3268 3271 1 3305 3268 3269 1 3306 3268 3270 1 3307 3271 3274 1 3308 3271 3272 1 3309 3271 3273 1 3310 3274 3277 1 3311 3274 3275 1 3312 3274 3276 1 3313 3277 3280 1 3314 3277 3278 1 3315 3277 3279 1 3316 3280 3281 1 3317 3280 3282 1 3318 3280 3283 1 3319 3284 3286 1 3320 3284 3285 1 3321 3286 3290 1 3322 3286 3288 1 3323 3286 3287 1 3324 3288 3289 2 3325 3288 3301 am 3326 3290 3293 1 3327 3290 3291 1 3328 3290 3292 1 3329 3293 3296 1 3330 3293 3294 1 3331 3293 3295 1 3332 3296 3298 am 3333 3296 3297 2 3334 3298 3299 1 3335 3298 3300 1 3336 3301 3303 1 3337 3301 3302 1 3338 3303 3305 1 3339 3303 3307 1 3340 3303 3304 1 3341 3305 3306 ar 3342 3305 3320 ar 3343 3307 3309 1 3344 3307 3312 1 3345 3307 3308 1 3346 3309 3316 1 3347 3309 3310 1 3348 3309 3311 1 3349 3312 3313 1 3350 3312 3314 1 3351 3312 3315 1 3352 3316 3317 1 3353 3316 3318 1 3354 3316 3319 1 3355 3325 3326 1 3356 3325 3327 1 3357 3328 3329 1 3358 3328 3330 1 @SUBSTRUCTURE 1 SER1 5 RESIDUE 1 A SER 1 ROOT 2 ARG2 16 RESIDUE 1 A ARG 2 3 ALA3 40 RESIDUE 1 A ALA 2 4 ARG4 50 RESIDUE 1 A ARG 2 5 GLN5 74 RESIDUE 1 A GLN 2 6 VAL6 91 RESIDUE 1 A VAL 2 7 GLU7 107 RESIDUE 1 A GLU 2 8 LEU8 122 RESIDUE 1 A LEU 2 9 LEU9 141 RESIDUE 1 A LEU 2 10 LEU10 160 RESIDUE 1 A LEU 2 11 VAL11 179 RESIDUE 1 A VAL 2 12 ALA12 195 RESIDUE 1 A ALA 2 13 ASP13 205 RESIDUE 1 A ASP 2 14 ALA14 217 RESIDUE 1 A ALA 2 15 SER15 227 RESIDUE 1 A SER 2 16 MET16 238 RESIDUE 1 A MET 2 17 ALA17 255 RESIDUE 1 A ALA 2 18 ARG18 265 RESIDUE 1 A ARG 2 19 LYS19 289 RESIDUE 1 A LYS 2 20 TYR20 311 RESIDUE 1 A TYR 2 21 GLY21 332 RESIDUE 1 A GLY 2 22 ARG22 339 RESIDUE 1 A ARG 2 23 GLY23 363 RESIDUE 1 A GLY 2 24 LEU24 370 RESIDUE 1 A LEU 2 25 GLN25 389 RESIDUE 1 A GLN 2 26 HIS26 406 RESIDUE 1 A HIS 2 27 TYR27 423 RESIDUE 1 A TYR 2 28 LEU28 444 RESIDUE 1 A LEU 2 29 LEU29 463 RESIDUE 1 A LEU 2 30 THR30 482 RESIDUE 1 A THR 2 31 LEU31 496 RESIDUE 1 A LEU 2 32 ALA32 515 RESIDUE 1 A ALA 2 33 SER33 525 RESIDUE 1 A SER 2 34 ILE34 536 RESIDUE 1 A ILE 2 35 ALA35 555 RESIDUE 1 A ALA 2 36 ASN36 565 RESIDUE 1 A ASN 2 37 ARG37 579 RESIDUE 1 A ARG 2 38 LEU38 603 RESIDUE 1 A LEU 2 39 TYR39 622 RESIDUE 1 A TYR 2 40 SER40 643 RESIDUE 1 A SER 2 41 HIS41 654 RESIDUE 1 A HIS 2 42 ALA42 671 RESIDUE 1 A ALA 2 43 SER43 681 RESIDUE 1 A SER 2 44 ILE44 692 RESIDUE 1 A ILE 2 45 GLU45 711 RESIDUE 1 A GLU 2 46 ASN46 726 RESIDUE 1 A ASN 2 47 HIS47 740 RESIDUE 1 A HIS 2 48 ILE48 757 RESIDUE 1 A ILE 2 49 ARG49 776 RESIDUE 1 A ARG 2 50 LEU50 800 RESIDUE 1 A LEU 2 51 ALA51 819 RESIDUE 1 A ALA 2 52 VAL52 829 RESIDUE 1 A VAL 2 53 VAL53 845 RESIDUE 1 A VAL 2 54 LYS54 861 RESIDUE 1 A LYS 2 55 VAL55 883 RESIDUE 1 A VAL 2 56 VAL56 899 RESIDUE 1 A VAL 2 57 VAL57 915 RESIDUE 1 A VAL 2 58 LEU58 931 RESIDUE 1 A LEU 2 59 GLY59 950 RESIDUE 1 A GLY 2 60 ASP60 957 RESIDUE 1 A ASP 2 61 LYS61 969 RESIDUE 1 A LYS 2 62 ASP62 991 RESIDUE 1 A ASP 2 63 LYS63 1003 RESIDUE 1 A LYS 2 64 SER64 1025 RESIDUE 1 A SER 2 65 LEU65 1036 RESIDUE 1 A LEU 2 66 GLU66 1055 RESIDUE 1 A GLU 2 67 VAL67 1070 RESIDUE 1 A VAL 2 68 SER68 1086 RESIDUE 1 A SER 2 69 LYS69 1097 RESIDUE 1 A LYS 2 70 ASN70 1119 RESIDUE 1 A ASN 2 71 ALA71 1133 RESIDUE 1 A ALA 2 72 ALA72 1143 RESIDUE 1 A ALA 2 73 THR73 1153 RESIDUE 1 A THR 2 74 THR74 1167 RESIDUE 1 A THR 2 75 LEU75 1181 RESIDUE 1 A LEU 2 76 LYS76 1200 RESIDUE 1 A LYS 2 77 ASN77 1222 RESIDUE 1 A ASN 2 78 PHE78 1236 RESIDUE 1 A PHE 2 79 CYS79 1256 RESIDUE 1 A CYS 3 80 LYS80 1266 RESIDUE 1 A LYS 2 81 TRP81 1288 RESIDUE 1 A TRP 2 82 GLN82 1312 RESIDUE 1 A GLN 2 83 HIS83 1329 RESIDUE 1 A HIS 2 84 GLN84 1346 RESIDUE 1 A GLN 2 85 HIS85 1363 RESIDUE 1 A HIS 2 86 ASN86 1381 RESIDUE 1 A ASN 2 87 GLN87 1395 RESIDUE 1 A GLN 2 88 LEU88 1412 RESIDUE 1 A LEU 2 89 GLY89 1431 RESIDUE 1 A GLY 2 90 ASP90 1438 RESIDUE 1 A ASP 2 91 ASP91 1450 RESIDUE 1 A ASP 2 92 HIS92 1462 RESIDUE 1 A HIS 2 93 GLU93 1479 RESIDUE 1 A GLU 2 94 GLU94 1494 RESIDUE 1 A GLU 2 95 HIS95 1509 RESIDUE 1 A HIS 2 96 TYR96 1527 RESIDUE 1 A TYR 2 97 ASP97 1548 RESIDUE 1 A ASP 2 98 ALA98 1560 RESIDUE 1 A ALA 2 99 ALA99 1570 RESIDUE 1 A ALA 2 100 ILE100 1580 RESIDUE 1 A ILE 2 101 LEU101 1599 RESIDUE 1 A LEU 2 102 PHE102 1618 RESIDUE 1 A PHE 2 103 THR103 1638 RESIDUE 1 A THR 2 104 ARG104 1652 RESIDUE 1 A ARG 2 105 GLU105 1676 RESIDUE 1 A GLU 2 106 ASP106 1691 RESIDUE 1 A ASP 2 107 LEU107 1703 RESIDUE 1 A LEU 2 108 CYS108 1722 RESIDUE 1 A CYS 3 109 GLY109 1732 RESIDUE 1 A GLY 2 110 HIS110 1739 RESIDUE 1 A HIS 2 111 HIS111 1756 RESIDUE 1 A HIS 2 112 SER112 1773 RESIDUE 1 A SER 2 113 CYS113 1784 RESIDUE 1 A CYS 3 114 ASP114 1794 RESIDUE 1 A ASP 2 115 THR115 1806 RESIDUE 1 A THR 2 116 LEU116 1820 RESIDUE 1 A LEU 2 117 GLY117 1839 RESIDUE 1 A GLY 2 118 MET118 1846 RESIDUE 1 A MET 2 119 ALA119 1863 RESIDUE 1 A ALA 2 120 ASP120 1873 RESIDUE 1 A ASP 2 121 VAL121 1885 RESIDUE 1 A VAL 2 122 GLY122 1901 RESIDUE 1 A GLY 2 123 THR123 1908 RESIDUE 1 A THR 2 124 ILE124 1922 RESIDUE 1 A ILE 2 125 CYS125 1941 RESIDUE 1 A CYS 3 126 SER126 1951 RESIDUE 1 A SER 2 127 PRO127 1961 RESIDUE 1 A PRO 2 128 GLU128 1976 RESIDUE 1 A GLU 2 129 ARG129 1991 RESIDUE 1 A ARG 2 130 SER130 2015 RESIDUE 1 A SER 2 131 CYS131 2026 RESIDUE 1 A CYS 3 132 ALA132 2036 RESIDUE 1 A ALA 2 133 VAL133 2046 RESIDUE 1 A VAL 2 134 ILE134 2062 RESIDUE 1 A ILE 2 135 GLU135 2081 RESIDUE 1 A GLU 2 136 ASP136 2096 RESIDUE 1 A ASP 2 137 ASP137 2108 RESIDUE 1 A ASP 2 138 GLY138 2120 RESIDUE 1 A GLY 2 139 LEU139 2127 RESIDUE 1 A LEU 2 140 HIS140 2146 RESIDUE 1 A HIS 2 141 ALA141 2163 RESIDUE 1 A ALA 2 142 ALA142 2173 RESIDUE 1 A ALA 2 143 PHE143 2183 RESIDUE 1 A PHE 2 144 THR144 2203 RESIDUE 1 A THR 2 145 VAL145 2217 RESIDUE 1 A VAL 2 146 ALA146 2233 RESIDUE 1 A ALA 2 147 HIS147 2243 RESIDUE 1 A HIS 2 148 GLU148 2260 RESIDUE 1 A GLU 2 149 ILE149 2275 RESIDUE 1 A ILE 2 150 GLY150 2294 RESIDUE 1 A GLY 2 151 HIS151 2301 RESIDUE 1 A HIS 2 152 LEU152 2318 RESIDUE 1 A LEU 2 153 LEU153 2337 RESIDUE 1 A LEU 2 154 GLY154 2356 RESIDUE 1 A GLY 2 155 LEU155 2363 RESIDUE 1 A LEU 2 156 SER156 2382 RESIDUE 1 A SER 2 157 HIS157 2393 RESIDUE 1 A HIS 2 158 ASP158 2410 RESIDUE 1 A ASP 2 159 ASP159 2422 RESIDUE 1 A ASP 2 160 SER160 2434 RESIDUE 1 A SER 2 161 LYS161 2445 RESIDUE 1 A LYS 2 162 PHE162 2467 RESIDUE 1 A PHE 2 163 CYS163 2487 RESIDUE 1 A CYS 3 164 GLU164 2497 RESIDUE 1 A GLU 2 165 GLU165 2512 RESIDUE 1 A GLU 2 166 THR166 2527 RESIDUE 1 A THR 2 167 PHE167 2541 RESIDUE 1 A PHE 2 168 GLY168 2561 RESIDUE 1 A GLY 2 169 SER169 2568 RESIDUE 1 A SER 2 170 THR170 2579 RESIDUE 1 A THR 2 171 GLU171 2593 RESIDUE 1 A GLU 2 172 ASP172 2608 RESIDUE 1 A ASP 2 173 LYS173 2620 RESIDUE 1 A LYS 2 174 ARG174 2642 RESIDUE 1 A ARG 2 175 LEU175 2666 RESIDUE 1 A LEU 2 176 MET176 2685 RESIDUE 1 A MET 2 177 SER177 2702 RESIDUE 1 A SER 2 178 SER178 2713 RESIDUE 1 A SER 2 179 ILE179 2724 RESIDUE 1 A ILE 2 180 LEU180 2743 RESIDUE 1 A LEU 2 181 THR181 2762 RESIDUE 1 A THR 2 182 SER182 2776 RESIDUE 1 A SER 2 183 ILE183 2787 RESIDUE 1 A ILE 2 184 ASP184 2806 RESIDUE 1 A ASP 2 185 ALA185 2818 RESIDUE 1 A ALA 2 186 SER186 2828 RESIDUE 1 A SER 2 187 LYS187 2839 RESIDUE 1 A LYS 2 188 PRO188 2860 RESIDUE 1 A PRO 2 189 TRP189 2875 RESIDUE 1 A TRP 2 190 SER190 2899 RESIDUE 1 A SER 2 191 LYS191 2910 RESIDUE 1 A LYS 2 192 CYS192 2932 RESIDUE 1 A CYS 3 193 THR193 2942 RESIDUE 1 A THR 2 194 SER194 2956 RESIDUE 1 A SER 2 195 ALA195 2967 RESIDUE 1 A ALA 2 196 THR196 2977 RESIDUE 1 A THR 2 197 ILE197 2991 RESIDUE 1 A ILE 2 198 THR198 3010 RESIDUE 1 A THR 2 199 GLU199 3024 RESIDUE 1 A GLU 2 200 PHE200 3039 RESIDUE 1 A PHE 2 201 LEU201 3059 RESIDUE 1 A LEU 2 202 ASP202 3078 RESIDUE 1 A ASP 2 203 ASP203 3090 RESIDUE 1 A ASP 2 204 GLY204 3102 RESIDUE 1 A GLY 2 205 HIS205 3109 RESIDUE 1 A HIS 2 206 GLY206 3126 RESIDUE 1 A GLY 2 207 ASN207 3133 RESIDUE 1 A ASN 2 208 CYS208 3147 RESIDUE 1 A CYS 3 209 LEU209 3157 RESIDUE 1 A LEU 2 210 LEU210 3176 RESIDUE 1 A LEU 2 211 ASP211 3195 RESIDUE 1 A ASP 2 212 LEU212 3207 RESIDUE 1 A LEU 2 213 PRO213 3225 RESIDUE 1 A PRO 2 214 ARG214 3240 RESIDUE 1 A ARG 2 215 LYS215 3264 RESIDUE 1 A LYS 2 216 GLN216 3286 RESIDUE 1 A GLN 2 217 ILE217 3303 RESIDUE 1 A ILE 1 218 ZN218 3321 RESIDUE 1 A ZN 0 ROOT 219 CA219 3322 RESIDUE 1 A CA 0 ROOT 220 CA220 3323 RESIDUE 1 A CA 0 ROOT 221 CA221 3324 RESIDUE 1 A CA 0 ROOT 222 HOH222 3325 RESIDUE 1 A HOH 0 ROOT 223 HOH223 3328 RESIDUE 1 A HOH 0 ROOT