@MOLECULE 6g5i.z 563 564 29 0 0 BIOPOLYMER USER_CHARGES @ATOM 1 N 134.4510 228.1230 191.1020 N.4 1 LYS531 1.0000 BACKBONE 2 H1 134.5754 227.9796 190.1100 H 1 LYS531 0.0000 BACKBONE 3 H2 134.2930 229.1040 191.2832 H 1 LYS531 0.0000 BACKBONE 4 H3 133.6557 227.5892 191.4222 H 1 LYS531 0.0000 BACKBONE 5 CA 135.6490 227.6840 191.8110 C.3 1 LYS531 0.0000 BACKBONE 6 HA 136.4732 228.2933 191.4403 H 1 LYS531 0.0000 BACKBONE 7 C 135.9710 226.2260 191.5380 C.2 1 LYS531 0.0000 BACKBONE 8 O 137.1020 225.8930 191.1940 O.2 1 LYS531 0.0000 BACKBONE 9 CB 135.4920 227.8880 193.3140 C.3 1 LYS531 0.0000 10 HB2 136.3645 227.4636 193.8108 H 1 LYS531 0.0000 11 HB3 134.5957 227.3602 193.6400 H 1 LYS531 0.0000 12 CG 135.3680 229.3310 193.7250 C.3 1 LYS531 0.0000 13 HG2 135.1630 229.3799 194.7944 H 1 LYS531 0.0000 14 HG3 134.5446 229.7878 193.1760 H 1 LYS531 0.0000 15 CD 136.6360 230.0910 193.4320 C.3 1 LYS531 0.0000 16 HD2 136.4518 231.1577 193.5599 H 1 LYS531 0.0000 17 HD3 136.9410 229.8957 192.4039 H 1 LYS531 0.0000 18 CE 137.7390 229.6640 194.3650 C.3 1 LYS531 0.0000 19 HE2 138.0032 228.6278 194.1538 H 1 LYS531 0.0000 20 HE3 137.3878 229.7470 195.3935 H 1 LYS531 0.0000 21 NZ 138.9400 230.5150 194.1930 N.4 1 LYS531 1.0000 22 HZ1 139.2705 230.4425 193.2414 H 1 LYS531 0.0000 23 HZ2 139.6645 230.2066 194.8255 H 1 LYS531 0.0000 24 HZ3 138.7035 231.4759 194.3949 H 1 LYS531 0.0000 25 N 134.9700 225.3600 191.7030 N.am 2 LYS532 0.0000 BACKBONE 26 H 134.0610 225.6984 191.9846 H 2 LYS532 0.0000 BACKBONE 27 CA 135.1680 223.9320 191.4830 C.3 2 LYS532 0.0000 BACKBONE 28 HA 136.0659 223.6185 192.0156 H 2 LYS532 0.0000 BACKBONE 29 C 135.3810 223.6330 190.0020 C.2 2 LYS532 0.0000 BACKBONE 30 O 136.0460 222.6580 189.6400 O.2 2 LYS532 0.0000 BACKBONE 31 CB 133.9740 223.1480 192.0330 C.3 2 LYS532 0.0000 32 HB2 134.1409 222.0905 191.8282 H 2 LYS532 0.0000 33 HB3 133.0793 223.4829 191.5082 H 2 LYS532 0.0000 34 CG 133.7310 223.3070 193.5310 C.3 2 LYS532 0.0000 35 HG2 132.7798 222.8379 193.7825 H 2 LYS532 0.0000 36 HG3 133.6853 224.3702 193.7668 H 2 LYS532 0.0000 37 CD 134.8320 222.6650 194.3740 C.3 2 LYS532 0.0000 38 HD2 135.7761 223.1697 194.1688 H 2 LYS532 0.0000 39 HD3 134.9168 221.6122 194.1048 H 2 LYS532 0.0000 40 CE 134.5230 222.7740 195.8710 C.3 2 LYS532 0.0000 41 HE2 133.5949 222.2379 196.0693 H 2 LYS532 0.0000 42 HE3 134.3939 223.8277 196.1185 H 2 LYS532 0.0000 43 NZ 135.5850 222.2130 196.7510 N.4 2 LYS532 1.0000 44 HZ1 135.7189 221.2353 196.5357 H 2 LYS532 0.0000 45 HZ2 135.3076 222.3101 197.7173 H 2 LYS532 0.0000 46 HZ3 136.4489 222.7131 196.5969 H 2 LYS532 0.0000 47 N 134.8300 224.4770 189.1310 N.am 3 GLU533 0.0000 BACKBONE 48 H 134.3006 225.2694 189.4656 H 3 GLU533 0.0000 BACKBONE 49 CA 134.9870 224.2630 187.6960 C.3 3 GLU533 0.0000 BACKBONE 50 HA 134.8289 223.2054 187.4847 H 3 GLU533 0.0000 BACKBONE 51 C 136.4020 224.6000 187.2360 C.2 3 GLU533 0.0000 BACKBONE 52 O 136.9390 223.9520 186.3330 O.2 3 GLU533 0.0000 BACKBONE 53 CB 133.9330 225.0680 186.9230 C.3 3 GLU533 0.0000 54 HB2 132.9512 224.7454 187.2696 H 3 GLU533 0.0000 55 HB3 134.0426 224.8264 185.8658 H 3 GLU533 0.0000 56 CG 133.9960 226.5940 187.0600 C.3 3 GLU533 0.0000 57 HG2 133.6059 227.0407 186.1454 H 3 GLU533 0.0000 58 HG3 135.0374 226.8876 187.1922 H 3 GLU533 0.0000 59 CD 133.1910 227.1220 188.2380 C.2 3 GLU533 0.0000 60 OE1 132.8030 226.3230 189.1170 O.co2 3 GLU533 -0.5000 61 OE2 132.9450 228.3440 188.2870 O.co2 3 GLU533 -0.5000 62 N 137.0310 225.6040 187.8520 N.am 4 ARG534 0.0000 BACKBONE 63 H 136.5387 226.1638 188.5334 H 4 ARG534 0.0000 BACKBONE 64 CA 138.4270 225.8950 187.5440 C.3 4 ARG534 0.0000 BACKBONE 65 HA 138.5994 225.6606 186.4936 H 4 ARG534 0.0000 BACKBONE 66 C 139.3520 225.0350 188.3880 C.2 4 ARG534 0.0000 BACKBONE 67 O 140.5620 224.9700 188.1390 O.2 4 ARG534 0.0000 BACKBONE 68 CB 138.7300 227.3770 187.7670 C.3 4 ARG534 0.0000 69 HB2 139.8098 227.5171 187.7166 H 4 ARG534 0.0000 70 HB3 138.3737 227.6538 188.7592 H 4 ARG534 0.0000 71 CG 138.0830 228.2990 186.7550 C.3 4 ARG534 0.0000 72 HG2 137.0004 228.2498 186.8719 H 4 ARG534 0.0000 73 HG3 138.3554 227.9712 185.7518 H 4 ARG534 0.0000 74 CD 138.5360 229.7380 186.9450 C.3 4 ARG534 0.0000 75 HD2 138.2583 230.3074 186.0580 H 4 ARG534 0.0000 76 HD3 139.6201 229.7467 187.0576 H 4 ARG534 0.0000 77 NE 137.9450 230.3830 188.1120 N.pl3 4 ARG534 0.0000 78 HE 136.9568 230.5903 188.0878 H 4 ARG534 0.0000 79 CZ 138.6230 230.7150 189.2040 C.cat 4 ARG534 1.0000 80 NH1 139.9130 230.4390 189.3000 N.pl3 4 ARG534 0.0000 81 HH11 140.4206 230.6830 190.1384 H 4 ARG534 0.0000 82 HH12 140.3904 229.9842 188.5349 H 4 ARG534 0.0000 83 NH2 138.0060 231.3090 190.2070 N.pl3 4 ARG534 0.0000 84 HH21 138.5184 231.5508 191.0431 H 4 ARG534 0.0000 85 HH22 137.0211 231.5221 190.1390 H 4 ARG534 0.0000 86 N 138.7980 224.3830 189.4080 N.am 5 LYS535 0.0000 BACKBONE 87 H 137.8299 224.5506 189.6421 H 5 LYS535 0.0000 BACKBONE 88 CA 139.5740 223.4310 190.1890 C.3 5 LYS535 0.0000 BACKBONE 89 HA 140.5403 223.8657 190.4448 H 5 LYS535 0.0000 BACKBONE 90 C 139.8310 222.1710 189.3750 C.2 5 LYS535 0.0000 BACKBONE 91 O 140.9690 221.7030 189.2700 O.2 5 LYS535 0.0000 BACKBONE 92 CB 138.8220 223.1080 191.4820 C.3 5 LYS535 0.0000 93 HB2 137.9670 222.4828 191.2249 H 5 LYS535 0.0000 94 HB3 138.4701 224.0474 191.9083 H 5 LYS535 0.0000 95 CG 139.6190 222.3900 192.5390 C.3 5 LYS535 0.0000 96 HG2 140.0921 221.5088 192.1057 H 5 LYS535 0.0000 97 HG3 138.9594 222.0857 193.3517 H 5 LYS535 0.0000 98 CD 140.6750 223.3230 193.0670 C.3 5 LYS535 0.0000 99 HD2 140.1920 224.2334 193.4219 H 5 LYS535 0.0000 100 HD3 141.3621 223.5682 192.2572 H 5 LYS535 0.0000 101 CE 141.4580 222.7200 194.1980 C.3 5 LYS535 0.0000 102 HE2 142.3251 223.3488 194.4001 H 5 LYS535 0.0000 103 HE3 141.7916 221.7249 193.9037 H 5 LYS535 0.0000 104 NZ 140.6490 222.6070 195.4370 N.4 5 LYS535 1.0000 105 HZ1 140.3346 223.5246 195.7186 H 5 LYS535 0.0000 106 HZ2 141.2129 222.2041 196.1717 H 5 LYS535 0.0000 107 HZ3 139.8489 222.0154 195.2639 H 5 LYS535 0.0000 108 N 138.7820 221.6470 188.7390 N.am 6 LYS536 0.0000 BACKBONE 109 H 137.9292 222.1820 188.6571 H 6 LYS536 0.0000 BACKBONE 110 CA 138.8530 220.3110 188.1610 C.3 6 LYS536 0.0000 BACKBONE 111 HA 139.4914 219.7003 188.7995 H 6 LYS536 0.0000 BACKBONE 112 C 139.4940 220.3140 186.7760 C.2 6 LYS536 0.0000 BACKBONE 113 O 140.2140 219.3740 186.4260 O.2 6 LYS536 0.0000 BACKBONE 114 CB 137.4520 219.7060 188.1070 C.3 6 LYS536 0.0000 115 HB2 137.5111 218.7600 187.5687 H 6 LYS536 0.0000 116 HB3 136.8056 220.3942 187.5623 H 6 LYS536 0.0000 117 CG 136.8210 219.4390 189.4690 C.3 6 LYS536 0.0000 118 HG2 136.7509 220.3745 190.0239 H 6 LYS536 0.0000 119 HG3 137.4415 218.7340 190.0223 H 6 LYS536 0.0000 120 CD 135.4310 218.8540 189.2920 C.3 6 LYS536 0.0000 121 HD2 135.5178 217.8896 188.7915 H 6 LYS536 0.0000 122 HD3 134.8414 219.5319 188.6748 H 6 LYS536 0.0000 123 CE 134.7170 218.6540 190.6160 C.3 6 LYS536 0.0000 124 HE2 134.6251 219.6182 191.1160 H 6 LYS536 0.0000 125 HE3 135.3064 217.9782 191.2356 H 6 LYS536 0.0000 126 NZ 133.3580 218.0760 190.4320 N.4 6 LYS536 1.0000 127 HZ1 132.8035 218.6955 189.8586 H 6 LYS536 0.0000 128 HZ2 132.9149 217.9642 191.3327 H 6 LYS536 0.0000 129 HZ3 133.4333 217.1760 189.9799 H 6 LYS536 0.0000 130 N 139.2490 221.3600 185.9730 N.am 7 MET537 0.0000 BACKBONE 131 H 138.7788 222.1741 186.3422 H 7 MET537 0.0000 BACKBONE 132 CA 139.6560 221.3340 184.5670 C.3 7 MET537 0.0000 BACKBONE 133 HA 139.3422 220.3760 184.1523 H 7 MET537 0.0000 BACKBONE 134 C 141.1690 221.4250 184.4150 C.2 7 MET537 0.0000 BACKBONE 135 O 141.7290 220.9520 183.4210 O.2 7 MET537 0.0000 BACKBONE 136 CB 138.9670 222.4590 183.7860 C.3 7 MET537 0.0000 137 HB2 137.8924 222.3532 183.9350 H 7 MET537 0.0000 138 HB3 139.2030 222.3200 182.7310 H 7 MET537 0.0000 139 CG 139.3480 223.8990 184.1610 C.3 7 MET537 0.0000 140 HG2 139.5395 223.9166 185.2339 H 7 MET537 0.0000 141 HG3 138.4904 224.5325 183.9346 H 7 MET537 0.0000 142 SD 140.7910 224.6270 183.3410 S.3 7 MET537 0.0000 143 CE 140.1580 224.8880 181.6870 C.3 7 MET537 0.0000 144 HE1 140.9361 225.3321 181.0661 H 7 MET537 0.0000 145 HE2 139.2993 225.5581 181.7281 H 7 MET537 0.0000 146 HE3 139.8532 223.9327 181.2597 H 7 MET537 0.0000 147 N 141.8450 222.0440 185.3800 N.am 8 VAL538 0.0000 BACKBONE 148 H 141.3489 222.5446 186.1035 H 8 VAL538 0.0000 BACKBONE 149 CA 143.3010 221.9990 185.3920 C.3 8 VAL538 0.0000 BACKBONE 150 HA 143.6851 222.0379 184.3727 H 8 VAL538 0.0000 BACKBONE 151 C 143.7740 220.6820 185.9990 C.2 8 VAL538 0.0000 BACKBONE 152 O 144.8420 220.1640 185.6530 O.2 8 VAL538 0.0000 BACKBONE 153 CB 143.8590 223.2320 186.1320 C.3 8 VAL538 0.0000 154 HB 143.4429 224.1196 185.6555 H 8 VAL538 0.0000 155 CG1 143.4110 223.2590 187.5960 C.3 8 VAL538 0.0000 156 HG11 143.8067 222.3849 188.1132 H 8 VAL538 0.0000 157 HG12 142.3221 223.2470 187.6430 H 8 VAL538 0.0000 158 HG13 143.7853 224.1643 188.0739 H 8 VAL538 0.0000 159 CG2 145.3750 223.3170 186.0000 C.3 8 VAL538 0.0000 160 HG21 145.8299 222.4432 186.4666 H 8 VAL538 0.0000 161 HG22 145.7327 224.2203 186.4942 H 8 VAL538 0.0000 162 HG23 145.6467 223.3483 184.9449 H 8 VAL538 0.0000 163 N 142.9530 220.0860 186.8630 N.am 9 LYS539 0.0000 BACKBONE 164 H 142.0470 220.4877 187.0577 H 9 LYS539 0.0000 BACKBONE 165 CA 143.3610 218.8570 187.5260 C.3 9 LYS539 0.0000 BACKBONE 166 HA 144.4367 218.8845 187.7001 H 9 LYS539 0.0000 BACKBONE 167 C 143.0640 217.6540 186.6420 C.2 9 LYS539 0.0000 BACKBONE 168 O 143.6970 216.6020 186.7790 O.2 9 LYS539 0.0000 BACKBONE 169 CB 142.6590 218.7370 188.8820 C.3 9 LYS539 0.0000 170 HB2 141.6141 218.4837 188.7027 H 9 LYS539 0.0000 171 HB3 142.7179 219.7037 189.3821 H 9 LYS539 0.0000 172 CG 143.2490 217.6870 189.8090 C.3 9 LYS539 0.0000 173 HG2 144.3161 217.8769 189.9242 H 9 LYS539 0.0000 174 HG3 143.1010 216.7019 189.3666 H 9 LYS539 0.0000 175 CD 142.5960 217.7150 191.1730 C.3 9 LYS539 0.0000 176 HD2 142.4924 218.7512 191.4949 H 9 LYS539 0.0000 177 HD3 143.2279 217.1765 191.8793 H 9 LYS539 0.0000 178 CE 141.2290 217.0700 191.1460 C.3 9 LYS539 0.0000 179 HE2 141.3093 216.0770 190.7037 H 9 LYS539 0.0000 180 HE3 140.5554 217.6816 190.5458 H 9 LYS539 0.0000 181 NZ 140.6860 216.9500 192.5190 N.4 9 LYS539 1.0000 182 HZ1 141.3076 216.3838 193.0786 H 9 LYS539 0.0000 183 HZ2 139.7748 216.5156 192.4839 H 9 LYS539 0.0000 184 HZ3 140.6053 217.8688 192.9306 H 9 LYS539 0.0000 185 N 142.1110 217.7950 185.7210 N.am 10 GLU540 0.0000 BACKBONE 186 H 141.6225 218.6744 185.6306 H 10 GLU540 0.0000 BACKBONE 187 CA 141.7730 216.6790 184.8430 C.3 10 GLU540 0.0000 BACKBONE 188 HA 141.8176 215.7556 185.4205 H 10 GLU540 0.0000 BACKBONE 189 C 142.7770 216.5570 183.7100 C.2 10 GLU540 0.0000 BACKBONE 190 O 143.0910 215.4480 183.2670 O.2 10 GLU540 0.0000 BACKBONE 191 CB 140.3520 216.8410 184.3090 C.3 10 GLU540 0.0000 192 HB2 140.3542 217.6511 183.5798 H 10 GLU540 0.0000 193 HB3 139.7040 217.1060 185.1445 H 10 GLU540 0.0000 194 CG 139.7790 215.6070 183.6410 C.3 10 GLU540 0.0000 195 HG2 138.7084 215.5682 183.8418 H 10 GLU540 0.0000 196 HG3 140.2605 214.7262 184.0659 H 10 GLU540 0.0000 197 CD 139.9890 215.5970 182.1490 C.2 10 GLU540 0.0000 198 OE1 140.0640 216.6940 181.5550 O.co2 10 GLU540 -0.5000 199 OE2 140.0570 214.4960 181.5670 O.co2 10 GLU540 -0.5000 200 N 143.3030 217.6810 183.2330 N.am 11 ALA541 0.0000 BACKBONE 201 H 142.9334 218.5764 183.5189 H 11 ALA541 0.0000 BACKBONE 202 CA 144.4150 217.6130 182.2960 C.3 11 ALA541 0.0000 BACKBONE 203 HA 144.1965 216.8509 181.5480 H 11 ALA541 0.0000 BACKBONE 204 C 145.6980 217.2090 183.0110 C.2 11 ALA541 0.0000 BACKBONE 205 O 146.6360 216.7060 182.3870 O.2 11 ALA541 0.0000 BACKBONE 206 CB 144.5840 218.9530 181.5850 C.3 11 ALA541 0.0000 207 HB1 144.8035 219.7285 182.3188 H 11 ALA541 0.0000 208 HB2 143.6638 219.2026 181.0567 H 11 ALA541 0.0000 209 HB3 145.4054 218.8848 180.8717 H 11 ALA541 0.0000 210 N 145.7540 217.4370 184.3240 N.am 12 GLN542 0.0000 BACKBONE 211 H 144.9975 217.9336 184.7726 H 12 GLN542 0.0000 BACKBONE 212 CA 146.8850 216.9840 185.1250 C.3 12 GLN542 0.0000 BACKBONE 213 HA 147.8096 217.3049 184.6452 H 12 GLN542 0.0000 BACKBONE 214 C 146.9180 215.4660 185.2140 C.2 12 GLN542 0.0000 BACKBONE 215 O 147.9990 214.8640 185.2290 O.2 12 GLN542 0.0000 BACKBONE 216 CB 146.7960 217.6050 186.5220 C.3 12 GLN542 0.0000 217 HB2 145.8535 217.2903 186.9701 H 12 GLN542 0.0000 218 HB3 146.8003 218.6891 186.4086 H 12 GLN542 0.0000 219 CG 147.9040 217.2340 187.4660 C.3 12 GLN542 0.0000 220 HG2 147.9663 216.1472 187.5220 H 12 GLN542 0.0000 221 HG3 147.6722 217.6360 188.4523 H 12 GLN542 0.0000 222 CD 149.2370 217.7710 187.0280 C.2 12 GLN542 0.0000 223 OE1 150.0500 217.0460 186.4590 O.2 12 GLN542 0.0000 224 NE2 149.4830 219.0450 187.3120 N.am 12 GLN542 0.0000 225 HE21 150.3698 219.4567 187.0587 H 12 GLN542 0.0000 226 HE22 148.7833 219.6020 187.7813 H 12 GLN542 0.0000 227 N 145.7430 214.8280 185.2600 N.am 13 ARG543 0.0000 BACKBONE 228 H 144.8857 215.3610 185.2271 H 13 ARG543 0.0000 BACKBONE 229 CA 145.6820 213.3730 185.3570 C.3 13 ARG543 0.0000 BACKBONE 230 HA 146.3566 213.0740 186.1593 H 13 ARG543 0.0000 BACKBONE 231 C 146.1610 212.6960 184.0810 C.2 13 ARG543 0.0000 BACKBONE 232 O 146.9790 211.7730 184.1350 O.2 13 ARG543 0.0000 BACKBONE 233 CB 144.2640 212.9150 185.7040 C.3 13 ARG543 0.0000 234 HB2 144.1486 211.8772 185.3913 H 13 ARG543 0.0000 235 HB3 143.5551 213.5393 185.1601 H 13 ARG543 0.0000 236 CG 143.9530 213.0100 187.1850 C.3 13 ARG543 0.0000 237 HG2 144.0609 214.0490 187.4964 H 13 ARG543 0.0000 238 HG3 144.6663 212.3915 187.7298 H 13 ARG543 0.0000 239 CD 142.5440 212.5440 187.5300 C.3 13 ARG543 0.0000 240 HD2 142.5173 212.2717 188.5851 H 13 ARG543 0.0000 241 HD3 142.3095 211.6695 186.9230 H 13 ARG543 0.0000 242 NE 141.5300 213.5620 187.2880 N.pl3 13 ARG543 0.0000 243 HE 141.8409 214.4976 187.0686 H 13 ARG543 0.0000 244 CZ 140.2240 213.3360 187.3380 C.cat 13 ARG543 1.0000 245 NH1 139.7770 212.1150 187.5890 N.pl3 13 ARG543 0.0000 246 HH11 138.7833 211.9361 187.6135 H 13 ARG543 0.0000 247 HH12 140.4298 211.3626 187.7559 H 13 ARG543 0.0000 248 NH2 139.3680 214.3230 187.1190 N.pl3 13 ARG543 0.0000 249 HH21 138.3742 214.1443 187.1434 H 13 ARG543 0.0000 250 HH22 139.7091 215.2542 186.9276 H 13 ARG543 0.0000 251 N 145.6830 213.1520 182.9250 N.am 14 GLU544 0.0000 BACKBONE 252 H 145.1265 213.9946 182.9023 H 14 GLU544 0.0000 BACKBONE 253 CA 145.9680 212.4270 181.6910 C.3 14 GLU544 0.0000 BACKBONE 254 HA 145.8911 211.3598 181.8988 H 14 GLU544 0.0000 BACKBONE 255 C 147.3830 212.6910 181.2010 C.2 14 GLU544 0.0000 BACKBONE 256 O 147.9000 211.9500 180.3580 O.2 14 GLU544 0.0000 BACKBONE 257 CB 144.9470 212.8000 180.6210 C.3 14 GLU544 0.0000 258 HB2 143.9486 212.6313 181.0244 H 14 GLU544 0.0000 259 HB3 145.1033 212.1548 179.7564 H 14 GLU544 0.0000 260 CG 145.0410 214.2360 180.1670 C.3 14 GLU544 0.0000 261 HG2 146.0033 214.3857 179.6774 H 14 GLU544 0.0000 262 HG3 144.9732 214.8842 181.0407 H 14 GLU544 0.0000 263 CD 143.9430 214.6090 179.2010 C.2 14 GLU544 0.0000 264 OE1 143.0910 213.7440 178.9100 O.co2 14 GLU544 -0.5000 265 OE2 143.9260 215.7670 178.7350 O.co2 14 GLU544 -0.5000 266 N 148.0280 213.7410 181.7110 N.am 15 LYS545 0.0000 BACKBONE 267 H 147.5658 214.3393 182.3807 H 15 LYS545 0.0000 BACKBONE 268 CA 149.4000 214.0280 181.3040 C.3 15 LYS545 0.0000 BACKBONE 269 HA 149.5039 213.8253 180.2381 H 15 LYS545 0.0000 BACKBONE 270 C 150.3800 213.1250 182.0410 C.2 15 LYS545 0.0000 BACKBONE 271 O 151.4370 212.7670 181.5070 O.2 15 LYS545 0.0000 BACKBONE 272 CB 149.7150 215.5010 181.5490 C.3 15 LYS545 0.0000 273 HB2 149.6183 215.6984 182.6166 H 15 LYS545 0.0000 274 HB3 148.9889 216.1016 181.0012 H 15 LYS545 0.0000 275 CG 151.0890 215.9150 181.1170 C.3 15 LYS545 0.0000 276 HG2 151.8280 215.2926 181.6216 H 15 LYS545 0.0000 277 HG3 151.2509 216.9595 181.3834 H 15 LYS545 0.0000 278 CD 151.2360 215.7530 179.6270 C.3 15 LYS545 0.0000 279 HD2 150.4294 216.2949 179.1333 H 15 LYS545 0.0000 280 HD3 151.1664 214.6936 179.3801 H 15 LYS545 0.0000 281 CE 152.5750 216.2910 179.1190 C.3 15 LYS545 0.0000 282 HE2 152.6982 217.3117 179.4810 H 15 LYS545 0.0000 283 HE3 152.5573 216.2917 178.0291 H 15 LYS545 0.0000 284 NZ 153.7430 215.4820 179.5740 N.4 15 LYS545 1.0000 285 HZ1 153.7728 215.4720 180.5835 H 15 LYS545 0.0000 286 HZ2 154.5949 215.8897 179.2160 H 15 LYS545 0.0000 287 HZ3 153.6520 214.5366 179.2305 H 15 LYS545 0.0000 288 N 150.0230 212.7120 183.2600 N.am 16 ARG546 0.0000 BACKBONE 289 H 149.1947 213.0948 183.6930 H 16 ARG546 0.0000 BACKBONE 290 CA 150.8130 211.7160 183.9740 C.3 16 ARG546 0.0000 BACKBONE 291 HA 151.8664 211.9928 183.9324 H 16 ARG546 0.0000 BACKBONE 292 C 150.6790 210.3490 183.3160 C.2 16 ARG546 0.0000 BACKBONE 293 O 151.5450 209.4820 183.4680 O.2 16 ARG546 0.0000 BACKBONE 294 CB 150.3760 211.6760 185.4380 C.3 16 ARG546 0.0000 295 HB2 149.3935 211.2061 185.4833 H 16 ARG546 0.0000 296 HB3 150.3044 212.7030 185.7960 H 16 ARG546 0.0000 297 CG 151.3000 210.9190 186.3700 C.3 16 ARG546 0.0000 298 HG2 152.3110 211.3124 186.2645 H 16 ARG546 0.0000 299 HG3 151.2908 209.8633 186.0989 H 16 ARG546 0.0000 300 CD 150.8620 211.0620 187.8170 C.3 16 ARG546 0.0000 301 HD2 151.5147 210.4539 188.4434 H 16 ARG546 0.0000 302 HD3 149.8355 210.7074 187.9100 H 16 ARG546 0.0000 303 NE 150.9250 212.4450 188.2760 N.pl3 16 ARG546 0.0000 304 HE 151.8329 212.8798 188.3585 H 16 ARG546 0.0000 305 CZ 149.8550 213.1630 188.5910 C.cat 16 ARG546 1.0000 306 NH1 149.9870 214.4140 189.0010 N.pl3 16 ARG546 0.0000 307 HH11 149.1688 214.9568 189.2377 H 16 ARG546 0.0000 308 HH12 150.9059 214.8261 189.0773 H 16 ARG546 0.0000 309 NH2 148.6520 212.6230 188.4910 N.pl3 16 ARG546 0.0000 310 HH21 147.8336 213.1656 188.7276 H 16 ARG546 0.0000 311 HH22 148.5516 211.6680 188.1780 H 16 ARG546 0.0000 312 N 149.6070 210.1480 182.5560 N.am 17 LYS547 0.0000 BACKBONE 313 H 148.8701 210.8386 182.5449 H 17 LYS547 0.0000 BACKBONE 314 CA 149.4770 208.9520 181.7410 C.3 17 LYS547 0.0000 BACKBONE 315 HA 149.7860 208.0853 182.3253 H 17 LYS547 0.0000 BACKBONE 316 C 150.3980 208.9920 180.5240 C.2 17 LYS547 0.0000 BACKBONE 317 O 150.6980 207.9410 179.9480 O.2 17 LYS547 0.0000 BACKBONE 318 CB 148.0070 208.7920 181.3330 C.3 17 LYS547 0.0000 319 HB2 147.7857 209.5499 180.5815 H 17 LYS547 0.0000 320 HB3 147.3949 208.9678 182.2176 H 17 LYS547 0.0000 321 CG 147.6170 207.4460 180.7610 C.3 17 LYS547 0.0000 322 HG2 147.9013 206.6624 181.4633 H 17 LYS547 0.0000 323 HG3 148.1386 207.2937 179.8161 H 17 LYS547 0.0000 324 CD 146.1240 207.3810 180.5210 C.3 17 LYS547 0.0000 325 HD2 145.8398 208.1824 179.8390 H 17 LYS547 0.0000 326 HD3 145.6065 207.5120 181.4714 H 17 LYS547 0.0000 327 CE 145.7140 206.0480 179.9150 C.3 17 LYS547 0.0000 328 HE2 145.9702 205.2497 180.6115 H 17 LYS547 0.0000 329 HE3 146.2565 205.9030 178.9807 H 17 LYS547 0.0000 330 NZ 144.2510 205.9950 179.6370 N.4 17 LYS547 1.0000 331 HZ1 143.7397 206.1285 180.4977 H 17 LYS547 0.0000 332 HZ2 144.0158 205.0958 179.2417 H 17 LYS547 0.0000 333 HZ3 144.0059 206.7247 178.9832 H 17 LYS547 0.0000 334 N 150.8880 210.1700 180.1380 N.am 18 ASN548 0.0000 BACKBONE 335 H 150.7102 210.9979 180.6886 H 18 ASN548 0.0000 BACKBONE 336 CA 151.6810 210.2590 178.9190 C.3 18 ASN548 0.0000 BACKBONE 337 HA 151.2770 209.5710 178.1764 H 18 ASN548 0.0000 BACKBONE 338 C 153.1300 209.8400 179.1780 C.2 18 ASN548 0.0000 BACKBONE 339 O 153.5390 208.7750 178.7050 O.2 18 ASN548 0.0000 BACKBONE 340 CB 151.6000 211.6820 178.3630 C.3 18 ASN548 0.0000 341 HB2 152.2792 212.3170 178.9319 H 18 ASN548 0.0000 342 HB3 150.5788 212.0442 178.4817 H 18 ASN548 0.0000 343 CG 151.9740 211.7640 176.9010 C.2 18 ASN548 0.0000 344 OD1 152.2950 210.7580 176.2730 O.2 18 ASN548 0.0000 345 ND2 151.9230 212.9700 176.3470 N.am 18 ASN548 0.0000 346 HD21 152.1536 213.0874 175.3707 H 18 ASN548 0.0000 347 HD22 151.6536 213.7697 176.9020 H 18 ASN548 0.0000 348 N 153.8890 210.6500 179.9450 N.am 19 LYS549 0.0000 BACKBONE 349 H 153.5398 211.5857 180.0956 H 19 LYS549 0.0000 BACKBONE 350 CA 155.1720 210.3160 180.5860 C.3 19 LYS549 0.0000 BACKBONE 351 HA 155.5971 211.3092 180.7309 H 19 LYS549 0.0000 BACKBONE 352 C 156.1860 209.5350 179.7620 C.2 19 LYS549 0.0000 BACKBONE 353 O 156.3210 208.3250 179.9720 O.2 19 LYS549 0.0000 BACKBONE 354 CB 154.9790 209.5700 181.9060 C.3 19 LYS549 0.0000 355 HB2 155.8708 208.9747 182.1021 H 19 LYS549 0.0000 356 HB3 154.1162 208.9109 181.8096 H 19 LYS549 0.0000 357 CG 154.7490 210.4980 183.0830 C.3 19 LYS549 0.0000 358 HG2 153.8063 211.0254 182.9372 H 19 LYS549 0.0000 359 HG3 155.5654 211.2188 183.1285 H 19 LYS549 0.0000 360 CD 154.6900 209.7460 184.3860 C.3 19 LYS549 0.0000 361 HD2 154.0289 208.8869 184.2720 H 19 LYS549 0.0000 362 HD3 154.2985 210.4054 185.1606 H 19 LYS549 0.0000 363 CE 156.0500 209.2670 184.7920 C.3 19 LYS549 0.0000 364 HE2 156.7377 210.1126 184.7898 H 19 LYS549 0.0000 365 HE3 156.3903 208.5201 184.0748 H 19 LYS549 0.0000 366 NZ 156.0360 208.6630 186.1440 N.4 19 LYS549 1.0000 367 HZ1 155.7216 209.3486 186.8158 H 19 LYS549 0.0000 368 HZ2 156.9678 208.3573 186.3858 H 19 LYS549 0.0000 369 HZ3 155.4091 207.8712 186.1525 H 19 LYS549 0.0000 370 N 156.8130 210.1820 178.7790 N.am 20 ILE550 0.0000 BACKBONE 371 H 156.5634 211.1459 178.6097 H 20 ILE550 0.0000 BACKBONE 372 CA 157.8450 209.5760 177.9280 C.3 20 ILE550 0.0000 BACKBONE 373 HA 157.3823 208.7614 177.3708 H 20 ILE550 0.0000 BACKBONE 374 C 158.9700 208.9760 178.7820 C.2 20 ILE550 0.0000 BACKBONE 375 O 159.4390 207.8770 178.4560 O.2 20 ILE550 0.0000 BACKBONE 376 CB 158.3840 210.5740 176.8770 C.3 20 ILE550 0.0000 377 HB 158.9347 211.3326 177.4332 H 20 ILE550 0.0000 378 CG1 157.2530 211.2490 176.0930 C.3 20 ILE550 0.0000 379 HG12 156.3567 210.6365 176.1905 H 20 ILE550 0.0000 380 HG13 157.5466 211.2991 175.0445 H 20 ILE550 0.0000 381 CG2 159.3140 209.8800 175.8810 C.3 20 ILE550 0.0000 382 HG21 158.7560 209.1235 175.3293 H 20 ILE550 0.0000 383 HG22 160.1343 209.4056 176.4196 H 20 ILE550 0.0000 384 HG23 159.7146 210.6162 175.1842 H 20 ILE550 0.0000 385 CD1 156.9200 212.6650 176.5660 C.3 20 ILE550 0.0000 386 HD11 156.6233 212.6375 177.6145 H 20 ILE550 0.0000 387 HD12 156.1017 213.0651 175.9672 H 20 ILE550 0.0000 388 HD13 157.7976 213.3015 176.4533 H 20 ILE550 0.0000 389 N 159.4200 209.5920 179.9120 N.am 21 PRO551 0.0000 BACKBONE 390 CA 160.0930 208.7560 180.9150 C.3 21 PRO551 0.0000 BACKBONE 391 HA 160.6117 207.8976 180.4881 H 21 PRO551 0.0000 BACKBONE 392 C 159.0840 208.1650 181.8870 C.2 21 PRO551 0.0000 BACKBONE 393 O 158.2080 208.8800 182.3730 O.2 21 PRO551 0.0000 BACKBONE 394 CB 161.0590 209.7300 181.6040 C.3 21 PRO551 0.0000 395 HB2 162.0298 209.7229 181.1084 H 21 PRO551 0.0000 396 HB3 161.1853 209.4669 182.6542 H 21 PRO551 0.0000 397 CG 160.4230 211.0430 181.4740 C.3 21 PRO551 0.0000 398 HG2 161.1780 211.8292 181.4718 H 21 PRO551 0.0000 399 HG3 159.7283 211.2087 182.2974 H 21 PRO551 0.0000 400 CD 159.6850 211.0280 180.1670 C.3 21 PRO551 0.0000 401 HD2 158.7513 211.5851 180.2444 H 21 PRO551 0.0000 402 HD3 160.2977 211.4545 179.3728 H 21 PRO551 0.0000 403 N 159.1440 206.8610 182.1360 N.am 22 LYS552 0.0000 BACKBONE 404 H 159.8164 206.2963 181.6369 H 22 LYS552 0.0000 BACKBONE 405 CA 158.2650 206.2220 183.1110 C.3 22 LYS552 0.0000 BACKBONE 406 HA 157.3954 206.8578 183.2776 H 22 LYS552 0.0000 BACKBONE 407 C 158.9970 206.0570 184.4390 C.2 22 LYS552 0.0000 BACKBONE 408 O 159.1130 204.9480 184.9700 O.2 22 LYS552 0.0000 BACKBONE 409 CB 157.7590 204.8900 182.5850 C.3 22 LYS552 0.0000 410 HB2 157.2874 204.3518 183.4072 H 22 LYS552 0.0000 411 HB3 158.6115 204.3183 182.2182 H 22 LYS552 0.0000 412 CG 156.7540 205.0230 181.4620 C.3 22 LYS552 0.0000 413 HG2 157.2310 205.5161 180.6150 H 22 LYS552 0.0000 414 HG3 155.9136 205.6254 181.8069 H 22 LYS552 0.0000 415 CD 156.2440 203.6750 181.0220 C.3 22 LYS552 0.0000 416 HD2 157.0880 203.0068 180.8507 H 22 LYS552 0.0000 417 HD3 155.6758 203.7867 180.0985 H 22 LYS552 0.0000 418 CE 155.3500 203.0910 182.0950 C.3 22 LYS552 0.0000 419 HE2 154.5718 203.8159 182.3335 H 22 LYS552 0.0000 420 HE3 155.9514 202.8980 182.9834 H 22 LYS552 0.0000 421 NZ 154.7060 201.8250 181.6740 N.4 22 LYS552 1.0000 422 HZ1 154.1450 201.9903 180.8506 H 22 LYS552 0.0000 423 HZ2 154.1169 201.4827 182.4196 H 22 LYS552 0.0000 424 HZ3 155.4170 201.1389 181.4648 H 22 LYS552 0.0000 425 N 159.5840 207.1650 184.9200 N.am 23 HIS553 0.0000 BACKBONE 426 H 159.6224 207.9583 184.2960 H 23 HIS553 0.0000 BACKBONE 427 CA 160.1770 207.3540 186.2520 C.3 23 HIS553 0.0000 BACKBONE 428 HA 160.4750 208.3988 186.3399 H 23 HIS553 0.0000 BACKBONE 429 C 161.4640 206.5520 186.4510 C.2 23 HIS553 0.0000 BACKBONE 430 O 162.2480 206.8340 187.3570 O.2 23 HIS553 0.0000 BACKBONE 431 CB 159.1270 207.0460 187.3370 C.3 23 HIS553 0.0000 432 HB2 158.7208 206.0536 187.1415 H 23 HIS553 0.0000 433 HB3 158.3313 207.7866 187.2566 H 23 HIS553 0.0000 434 CG 159.6400 207.0680 188.7420 C.2 23 HIS553 0.0000 435 ND1 160.0130 208.2280 189.3870 N.2 23 HIS553 0.0000 436 CD2 159.8470 206.0650 189.6270 C.2 23 HIS553 0.0000 437 HD2 159.6641 205.0141 189.4580 H 23 HIS553 0.0000 438 CE1 160.4330 207.9360 190.6050 C.2 23 HIS553 0.0000 439 HE1 160.7967 208.6448 191.3342 H 23 HIS553 0.0000 440 NE2 160.3330 206.6320 190.7800 N.pl3 23 HIS553 0.0000 441 HE2 160.5744 206.1323 191.6239 H 23 HIS553 0.0000 442 N 161.7600 205.6420 185.5320 N.am 24 VAL554 0.0000 BACKBONE 443 H 161.1464 205.5298 184.7376 H 24 VAL554 0.0000 BACKBONE 444 CA 162.9400 204.8030 185.6350 C.3 24 VAL554 0.0000 BACKBONE 445 HA 163.4627 204.9801 186.5749 H 24 VAL554 0.0000 BACKBONE 446 C 163.9090 205.1440 184.5180 C.2 24 VAL554 0.0000 BACKBONE 447 O 165.1310 205.1830 184.7090 O.2 24 VAL554 0.0000 BACKBONE 448 CB 162.5030 203.3330 185.6060 C.3 24 VAL554 0.0000 449 HB 161.8698 203.1719 184.7335 H 24 VAL554 0.0000 450 CG1 163.6720 202.4480 185.5010 C.3 24 VAL554 0.0000 451 HG11 164.3181 202.5953 186.3664 H 24 VAL554 0.0000 452 HG12 164.2245 202.6822 184.5911 H 24 VAL554 0.0000 453 HG13 163.3403 201.4102 185.4676 H 24 VAL554 0.0000 454 CG2 161.7220 203.0110 186.8610 C.3 24 VAL554 0.0000 455 HG21 162.3546 203.1719 187.7339 H 24 VAL554 0.0000 456 HG22 161.4008 201.9698 186.8320 H 24 VAL554 0.0000 457 HG23 160.8478 203.6593 186.9213 H 24 VAL554 0.0000 458 N 163.3640 205.4660 183.3480 N.am 25 LYS555 0.0000 BACKBONE 459 H 162.3657 205.3713 183.2274 H 25 LYS555 0.0000 BACKBONE 460 CA 164.1690 205.9510 182.2380 C.3 25 LYS555 0.0000 BACKBONE 461 HA 165.0290 205.2965 182.0960 H 25 LYS555 0.0000 BACKBONE 462 C 164.6900 207.3480 182.5440 C.2 25 LYS555 0.0000 BACKBONE 463 O 165.6980 207.7890 181.9820 O.2 25 LYS555 0.0000 BACKBONE 464 CB 163.3370 205.9350 180.9510 C.3 25 LYS555 0.0000 465 HB2 163.8660 206.5194 180.1982 H 25 LYS555 0.0000 466 HB3 162.3752 206.4017 181.1634 H 25 LYS555 0.0000 467 CG 163.0700 204.5270 180.3670 C.3 25 LYS555 0.0000 468 HG2 163.9728 203.9276 180.4844 H 25 LYS555 0.0000 469 HG3 162.8384 204.6311 179.3070 H 25 LYS555 0.0000 470 CD 161.9020 203.7900 181.0520 C.3 25 LYS555 0.0000 471 HD2 160.9809 204.3337 180.8423 H 25 LYS555 0.0000 472 HD3 162.0825 203.7820 182.1269 H 25 LYS555 0.0000 473 CE 161.7320 202.3680 180.5870 C.3 25 LYS555 0.0000 474 HE2 162.6926 201.8550 180.6339 H 25 LYS555 0.0000 475 HE3 161.3681 202.3646 179.5596 H 25 LYS555 0.0000 476 NZ 160.7530 201.6640 181.4600 N.4 25 LYS555 1.0000 477 HZ1 161.0888 201.6663 182.4125 H 25 LYS555 0.0000 478 HZ2 160.6442 200.7110 181.1436 H 25 LYS555 0.0000 479 HZ3 159.8617 202.1371 181.4161 H 25 LYS555 0.0000 480 N 164.0010 208.0530 183.4440 N.am 26 LYS556 0.0000 BACKBONE 481 H 163.0852 207.7284 183.7197 H 26 LYS556 0.0000 BACKBONE 482 CA 164.5230 209.2730 184.0420 C.3 26 LYS556 0.0000 BACKBONE 483 HA 164.8456 209.9524 183.2530 H 26 LYS556 0.0000 BACKBONE 484 C 165.7320 208.9790 184.9180 C.2 26 LYS556 0.0000 BACKBONE 485 O 166.7050 209.7390 184.9250 O.2 26 LYS556 0.0000 BACKBONE 486 CB 163.4160 209.9150 184.8720 C.3 26 LYS556 0.0000 487 HB2 163.2904 209.3164 185.7743 H 26 LYS556 0.0000 488 HB3 162.4996 209.8808 184.2829 H 26 LYS556 0.0000 489 CG 163.6310 211.3420 185.2980 C.3 26 LYS556 0.0000 490 HG2 164.6433 211.4590 185.6849 H 26 LYS556 0.0000 491 HG3 162.9126 211.6033 186.0750 H 26 LYS556 0.0000 492 CD 163.4380 212.2450 184.1080 C.3 26 LYS556 0.0000 493 HD2 162.4809 212.0171 183.6388 H 26 LYS556 0.0000 494 HD3 164.2431 212.0712 183.3941 H 26 LYS556 0.0000 495 CE 163.4510 213.6830 184.5200 C.3 26 LYS556 0.0000 496 HE2 163.4215 214.3183 183.6348 H 26 LYS556 0.0000 497 HE3 164.3571 213.8934 185.0881 H 26 LYS556 0.0000 498 NZ 162.2630 213.9470 185.3620 N.4 26 LYS556 1.0000 499 HZ1 161.4252 213.7512 184.8330 H 26 LYS556 0.0000 500 HZ2 162.2617 214.9156 185.6483 H 26 LYS556 0.0000 501 HZ3 162.2913 213.3544 186.1794 H 26 LYS556 0.0000 502 N 165.6820 207.8640 185.6560 N.am 27 ARG557 0.0000 BACKBONE 503 H 164.9394 207.1998 185.4903 H 27 ARG557 0.0000 BACKBONE 504 CA 166.6710 207.5780 186.6960 C.3 27 ARG557 0.0000 BACKBONE 505 HA 166.7822 208.4862 187.2884 H 27 ARG557 0.0000 BACKBONE 506 C 168.0340 207.2300 186.1200 C.2 27 ARG557 0.0000 BACKBONE 507 O 169.0650 207.5730 186.7120 O.2 27 ARG557 0.0000 BACKBONE 508 CB 166.1870 206.4290 187.5760 C.3 27 ARG557 0.0000 509 HB2 167.0634 205.9938 188.0563 H 27 ARG557 0.0000 510 HB3 165.7258 205.6887 186.9222 H 27 ARG557 0.0000 511 CG 165.1880 206.7570 188.6660 C.3 27 ARG557 0.0000 512 HG2 164.3739 207.3566 188.2589 H 27 ARG557 0.0000 513 HG3 165.6781 207.3074 189.4691 H 27 ARG557 0.0000 514 CD 164.6470 205.4280 189.1950 C.3 27 ARG557 0.0000 515 HD2 165.4995 204.8111 189.4791 H 27 ARG557 0.0000 516 HD3 164.1024 204.9440 188.3843 H 27 ARG557 0.0000 517 NE 163.7520 205.5100 190.3470 N.pl3 27 ARG557 0.0000 518 HE 163.6428 206.4036 190.8050 H 27 ARG557 0.0000 519 CZ 163.0730 204.4700 190.8250 C.cat 27 ARG557 1.0000 520 NH1 163.1600 203.2880 190.2290 N.pl3 27 ARG557 0.0000 521 HH11 162.6348 202.5026 190.5859 H 27 ARG557 0.0000 522 HH12 163.7515 203.1735 189.4183 H 27 ARG557 0.0000 523 NH2 162.2920 204.6030 191.8880 N.pl3 27 ARG557 0.0000 524 HH21 161.7720 203.8097 192.2350 H 27 ARG557 0.0000 525 HH22 162.2171 205.4976 192.3508 H 27 ARG557 0.0000 526 N 168.0660 206.5280 184.9820 N.am 28 LYS558 0.0000 BACKBONE 527 H 167.2101 206.3463 184.4774 H 28 LYS558 0.0000 BACKBONE 528 CA 169.3360 206.0240 184.4680 C.3 28 LYS558 0.0000 BACKBONE 529 HA 169.8957 205.5809 185.2917 H 28 LYS558 0.0000 BACKBONE 530 C 170.1880 207.1590 183.9040 C.2 28 LYS558 0.0000 BACKBONE 531 O 171.4220 207.0680 183.8710 O.2 28 LYS558 0.0000 BACKBONE 532 CB 169.0850 204.9330 183.4210 C.3 28 LYS558 0.0000 533 HB2 168.6897 205.4042 182.5211 H 28 LYS558 0.0000 534 HB3 168.3478 204.2363 183.8201 H 28 LYS558 0.0000 535 CG 170.3340 204.1470 183.0430 C.3 28 LYS558 0.0000 536 HG2 170.8031 203.7804 183.9561 H 28 LYS558 0.0000 537 HG3 171.0213 204.8156 182.5246 H 28 LYS558 0.0000 538 CD 170.0420 202.9710 182.1480 C.3 28 LYS558 0.0000 539 HD2 169.5159 203.3168 181.2582 H 28 LYS558 0.0000 540 HD3 169.4180 202.2559 182.6841 H 28 LYS558 0.0000 541 CE 171.3350 202.2980 181.7360 C.3 28 LYS558 0.0000 542 HE2 171.9812 203.0371 181.2625 H 28 LYS558 0.0000 543 HE3 171.1076 201.5048 181.0238 H 28 LYS558 0.0000 544 NZ 172.0530 201.7070 182.9020 N.4 28 LYS558 1.0000 545 HZ1 172.2686 202.4345 183.5686 H 28 LYS558 0.0000 546 HZ2 172.9096 201.2751 182.5862 H 28 LYS558 0.0000 547 HZ3 171.4670 201.0112 183.3408 H 28 LYS558 0.0000 548 N 169.5560 208.2520 183.4980 N.am 29 GLU559 0.0000 BACKBONE 549 H 168.5559 208.2365 183.3576 H 29 GLU559 0.0000 BACKBONE 550 CA 170.3070 209.4710 183.2560 C.3 29 GLU559 0.0000 BACKBONE 551 HA 171.3496 209.1947 183.0983 H 29 GLU559 0.0000 BACKBONE 552 C 170.2220 210.4020 184.4630 C.2 29 GLU559 0.0000 BACKBONE 553 H 170.1312 211.4667 184.3061 H 29 GLU559 0.0000 BACKBONE 554 O 170.2550 209.9620 185.6090 O.2 29 GLU559 0.0000 BACKBONE 555 CB 169.8090 210.1850 182.0030 C.3 29 GLU559 0.0000 556 HB2 170.2601 211.1768 181.9716 H 29 GLU559 0.0000 557 HB3 168.7253 210.2807 182.0710 H 29 GLU559 0.0000 558 CG 170.1420 209.4720 180.7170 C.3 29 GLU559 0.0000 559 HG2 169.6180 208.5164 180.6988 H 29 GLU559 0.0000 560 HG3 171.2173 209.2974 180.6799 H 29 GLU559 0.0000 561 CD 169.7360 210.2740 179.5020 C.2 29 GLU559 0.0000 562 OE1 169.0680 211.3130 179.6800 O.co2 29 GLU559 -0.5000 563 OE2 170.0960 209.8820 178.3740 O.co2 29 GLU559 -0.5000 @BOND 1 1 2 1 BACKBONE 2 1 3 1 BACKBONE 3 1 4 1 BACKBONE 4 1 5 1 BACKBONE 5 5 6 1 BACKBONE 6 5 7 1 BACKBONE 7 5 9 1 8 7 8 2 BACKBONE 9 7 25 am BACKBONE|INTERRES 10 9 10 1 11 9 11 1 12 9 12 1 13 12 13 1 14 12 14 1 15 12 15 1 16 15 16 1 17 15 17 1 18 15 18 1 19 18 19 1 20 18 20 1 21 18 21 1 22 21 22 1 23 21 23 1 24 21 24 1 25 25 26 1 BACKBONE 26 25 27 1 BACKBONE 27 27 28 1 BACKBONE 28 27 29 1 BACKBONE 29 27 31 1 30 29 30 2 BACKBONE 31 29 47 am BACKBONE|INTERRES 32 31 32 1 33 31 33 1 34 31 34 1 35 34 35 1 36 34 36 1 37 34 37 1 38 37 38 1 39 37 39 1 40 37 40 1 41 40 41 1 42 40 42 1 43 40 43 1 44 43 44 1 45 43 45 1 46 43 46 1 47 47 48 1 BACKBONE 48 47 49 1 BACKBONE 49 49 50 1 BACKBONE 50 49 51 1 BACKBONE 51 49 53 1 52 51 52 2 BACKBONE 53 51 62 am BACKBONE|INTERRES 54 53 54 1 55 53 55 1 56 53 56 1 57 56 57 1 58 56 58 1 59 56 59 1 60 59 60 ar 61 59 61 ar 62 62 63 1 BACKBONE 63 62 64 1 BACKBONE 64 64 65 1 BACKBONE 65 64 66 1 BACKBONE 66 64 68 1 67 66 67 2 BACKBONE 68 66 86 am BACKBONE|INTERRES 69 68 69 1 70 68 70 1 71 68 71 1 72 71 72 1 73 71 73 1 74 71 74 1 75 74 75 1 76 74 76 1 77 74 77 1 78 77 78 1 79 77 79 ar 80 79 80 ar 81 79 83 ar 82 80 81 1 83 80 82 1 84 83 84 1 85 83 85 1 86 86 87 1 BACKBONE 87 86 88 1 BACKBONE 88 88 89 1 BACKBONE 89 88 90 1 BACKBONE 90 88 92 1 91 90 91 2 BACKBONE 92 90 108 am BACKBONE|INTERRES 93 92 93 1 94 92 94 1 95 92 95 1 96 95 96 1 97 95 97 1 98 95 98 1 99 98 99 1 100 98 100 1 101 98 101 1 102 101 102 1 103 101 103 1 104 101 104 1 105 104 105 1 106 104 106 1 107 104 107 1 108 108 109 1 BACKBONE 109 108 110 1 BACKBONE 110 110 111 1 BACKBONE 111 110 112 1 BACKBONE 112 110 114 1 113 112 113 2 BACKBONE 114 112 130 am BACKBONE|INTERRES 115 114 115 1 116 114 116 1 117 114 117 1 118 117 118 1 119 117 119 1 120 117 120 1 121 120 121 1 122 120 122 1 123 120 123 1 124 123 124 1 125 123 125 1 126 123 126 1 127 126 127 1 128 126 128 1 129 126 129 1 130 130 131 1 BACKBONE 131 130 132 1 BACKBONE 132 132 133 1 BACKBONE 133 132 134 1 BACKBONE 134 132 136 1 135 134 135 2 BACKBONE 136 134 147 am BACKBONE|INTERRES 137 136 137 1 138 136 138 1 139 136 139 1 140 139 140 1 141 139 141 1 142 139 142 1 143 142 143 1 144 143 144 1 145 143 145 1 146 143 146 1 147 147 148 1 BACKBONE 148 147 149 1 BACKBONE 149 149 150 1 BACKBONE 150 149 151 1 BACKBONE 151 149 153 1 152 151 152 2 BACKBONE 153 151 163 am BACKBONE|INTERRES 154 153 154 1 155 153 155 1 156 153 159 1 157 155 156 1 158 155 157 1 159 155 158 1 160 159 160 1 161 159 161 1 162 159 162 1 163 163 164 1 BACKBONE 164 163 165 1 BACKBONE 165 165 166 1 BACKBONE 166 165 167 1 BACKBONE 167 165 169 1 168 167 168 2 BACKBONE 169 167 185 am BACKBONE|INTERRES 170 169 170 1 171 169 171 1 172 169 172 1 173 172 173 1 174 172 174 1 175 172 175 1 176 175 176 1 177 175 177 1 178 175 178 1 179 178 179 1 180 178 180 1 181 178 181 1 182 181 182 1 183 181 183 1 184 181 184 1 185 185 186 1 BACKBONE 186 185 187 1 BACKBONE 187 187 188 1 BACKBONE 188 187 189 1 BACKBONE 189 187 191 1 190 189 190 2 BACKBONE 191 189 200 am BACKBONE|INTERRES 192 191 192 1 193 191 193 1 194 191 194 1 195 194 195 1 196 194 196 1 197 194 197 1 198 197 198 ar 199 197 199 ar 200 200 201 1 BACKBONE 201 200 202 1 BACKBONE 202 202 203 1 BACKBONE 203 202 204 1 BACKBONE 204 202 206 1 205 204 205 2 BACKBONE 206 204 210 am BACKBONE|INTERRES 207 206 207 1 208 206 208 1 209 206 209 1 210 210 211 1 BACKBONE 211 210 212 1 BACKBONE 212 212 213 1 BACKBONE 213 212 214 1 BACKBONE 214 212 216 1 215 214 215 2 BACKBONE 216 214 227 am BACKBONE|INTERRES 217 216 217 1 218 216 218 1 219 216 219 1 220 219 220 1 221 219 221 1 222 219 222 1 223 222 223 2 224 222 224 am 225 224 225 1 226 224 226 1 227 227 228 1 BACKBONE 228 227 229 1 BACKBONE 229 229 230 1 BACKBONE 230 229 231 1 BACKBONE 231 229 233 1 232 231 232 2 BACKBONE 233 231 251 am BACKBONE|INTERRES 234 233 234 1 235 233 235 1 236 233 236 1 237 236 237 1 238 236 238 1 239 236 239 1 240 239 240 1 241 239 241 1 242 239 242 1 243 242 243 1 244 242 244 ar 245 244 245 ar 246 244 248 ar 247 245 246 1 248 245 247 1 249 248 249 1 250 248 250 1 251 251 252 1 BACKBONE 252 251 253 1 BACKBONE 253 253 254 1 BACKBONE 254 253 255 1 BACKBONE 255 253 257 1 256 255 256 2 BACKBONE 257 255 266 am BACKBONE|INTERRES 258 257 258 1 259 257 259 1 260 257 260 1 261 260 261 1 262 260 262 1 263 260 263 1 264 263 264 ar 265 263 265 ar 266 266 267 1 BACKBONE 267 266 268 1 BACKBONE 268 268 269 1 BACKBONE 269 268 270 1 BACKBONE 270 268 272 1 271 270 271 2 BACKBONE 272 270 288 am BACKBONE|INTERRES 273 272 273 1 274 272 274 1 275 272 275 1 276 275 276 1 277 275 277 1 278 275 278 1 279 278 279 1 280 278 280 1 281 278 281 1 282 281 282 1 283 281 283 1 284 281 284 1 285 284 285 1 286 284 286 1 287 284 287 1 288 288 289 1 BACKBONE 289 288 290 1 BACKBONE 290 290 291 1 BACKBONE 291 290 292 1 BACKBONE 292 290 294 1 293 292 293 2 BACKBONE 294 292 312 am BACKBONE|INTERRES 295 294 295 1 296 294 296 1 297 294 297 1 298 297 298 1 299 297 299 1 300 297 300 1 301 300 301 1 302 300 302 1 303 300 303 1 304 303 304 1 305 303 305 ar 306 305 306 ar 307 305 309 ar 308 306 307 1 309 306 308 1 310 309 310 1 311 309 311 1 312 312 313 1 BACKBONE 313 312 314 1 BACKBONE 314 314 315 1 BACKBONE 315 314 316 1 BACKBONE 316 314 318 1 317 316 317 2 BACKBONE 318 316 334 am BACKBONE|INTERRES 319 318 319 1 320 318 320 1 321 318 321 1 322 321 322 1 323 321 323 1 324 321 324 1 325 324 325 1 326 324 326 1 327 324 327 1 328 327 328 1 329 327 329 1 330 327 330 1 331 330 331 1 332 330 332 1 333 330 333 1 334 334 335 1 BACKBONE 335 334 336 1 BACKBONE 336 336 337 1 BACKBONE 337 336 338 1 BACKBONE 338 336 340 1 339 338 339 2 BACKBONE 340 338 348 am BACKBONE|INTERRES 341 340 341 1 342 340 342 1 343 340 343 1 344 343 344 2 345 343 345 am 346 345 346 1 347 345 347 1 348 348 349 1 BACKBONE 349 348 350 1 BACKBONE 350 350 351 1 BACKBONE 351 350 352 1 BACKBONE 352 350 354 1 353 352 353 2 BACKBONE 354 352 370 am BACKBONE|INTERRES 355 354 355 1 356 354 356 1 357 354 357 1 358 357 358 1 359 357 359 1 360 357 360 1 361 360 361 1 362 360 362 1 363 360 363 1 364 363 364 1 365 363 365 1 366 363 366 1 367 366 367 1 368 366 368 1 369 366 369 1 370 370 371 1 BACKBONE 371 370 372 1 BACKBONE 372 372 373 1 BACKBONE 373 372 374 1 BACKBONE 374 372 376 1 375 374 375 2 BACKBONE 376 374 389 am BACKBONE|INTERRES 377 376 377 1 378 376 378 1 379 376 381 1 380 378 379 1 381 378 380 1 382 378 385 1 383 381 382 1 384 381 383 1 385 381 384 1 386 385 386 1 387 385 387 1 388 385 388 1 389 389 390 1 BACKBONE 390 389 400 1 391 390 391 1 BACKBONE 392 390 392 1 BACKBONE 393 390 394 1 394 392 393 2 BACKBONE 395 392 403 am BACKBONE|INTERRES 396 394 395 1 397 394 396 1 398 394 397 1 399 397 398 1 400 397 399 1 401 397 400 1 402 400 401 1 403 400 402 1 404 403 404 1 BACKBONE 405 403 405 1 BACKBONE 406 405 406 1 BACKBONE 407 405 407 1 BACKBONE 408 405 409 1 409 407 408 2 BACKBONE 410 407 425 am BACKBONE|INTERRES 411 409 410 1 412 409 411 1 413 409 412 1 414 412 413 1 415 412 414 1 416 412 415 1 417 415 416 1 418 415 417 1 419 415 418 1 420 418 419 1 421 418 420 1 422 418 421 1 423 421 422 1 424 421 423 1 425 421 424 1 426 425 426 1 BACKBONE 427 425 427 1 BACKBONE 428 427 428 1 BACKBONE 429 427 429 1 BACKBONE 430 427 431 1 431 429 430 2 BACKBONE 432 429 442 am BACKBONE|INTERRES 433 431 432 1 434 431 433 1 435 431 434 1 436 434 435 1 437 434 436 2 438 435 438 2 439 436 437 1 440 436 440 1 441 438 439 1 442 438 440 1 443 440 441 1 444 442 443 1 BACKBONE 445 442 444 1 BACKBONE 446 444 445 1 BACKBONE 447 444 446 1 BACKBONE 448 444 448 1 449 446 447 2 BACKBONE 450 446 458 am BACKBONE|INTERRES 451 448 449 1 452 448 450 1 453 448 454 1 454 450 451 1 455 450 452 1 456 450 453 1 457 454 455 1 458 454 456 1 459 454 457 1 460 458 459 1 BACKBONE 461 458 460 1 BACKBONE 462 460 461 1 BACKBONE 463 460 462 1 BACKBONE 464 460 464 1 465 462 463 2 BACKBONE 466 462 480 am BACKBONE|INTERRES 467 464 465 1 468 464 466 1 469 464 467 1 470 467 468 1 471 467 469 1 472 467 470 1 473 470 471 1 474 470 472 1 475 470 473 1 476 473 474 1 477 473 475 1 478 473 476 1 479 476 477 1 480 476 478 1 481 476 479 1 482 480 481 1 BACKBONE 483 480 482 1 BACKBONE 484 482 483 1 BACKBONE 485 482 484 1 BACKBONE 486 482 486 1 487 484 485 2 BACKBONE 488 484 502 am BACKBONE|INTERRES 489 486 487 1 490 486 488 1 491 486 489 1 492 489 490 1 493 489 491 1 494 489 492 1 495 492 493 1 496 492 494 1 497 492 495 1 498 495 496 1 499 495 497 1 500 495 498 1 501 498 499 1 502 498 500 1 503 498 501 1 504 502 503 1 BACKBONE 505 502 504 1 BACKBONE 506 504 505 1 BACKBONE 507 504 506 1 BACKBONE 508 504 508 1 509 506 507 2 BACKBONE 510 506 526 am BACKBONE|INTERRES 511 508 509 1 512 508 510 1 513 508 511 1 514 511 512 1 515 511 513 1 516 511 514 1 517 514 515 1 518 514 516 1 519 514 517 1 520 517 518 1 521 517 519 ar 522 519 520 ar 523 519 523 ar 524 520 521 1 525 520 522 1 526 523 524 1 527 523 525 1 528 526 527 1 BACKBONE 529 526 528 1 BACKBONE 530 528 529 1 BACKBONE 531 528 530 1 BACKBONE 532 528 532 1 533 530 531 2 BACKBONE 534 530 548 am BACKBONE|INTERRES 535 532 533 1 536 532 534 1 537 532 535 1 538 535 536 1 539 535 537 1 540 535 538 1 541 538 539 1 542 538 540 1 543 538 541 1 544 541 542 1 545 541 543 1 546 541 544 1 547 544 545 1 548 544 546 1 549 544 547 1 550 548 549 1 BACKBONE 551 548 550 1 BACKBONE 552 550 551 1 BACKBONE 553 550 552 1 BACKBONE 554 550 555 1 555 552 553 1 BACKBONE 556 552 554 2 BACKBONE 557 555 556 1 558 555 557 1 559 555 558 1 560 558 559 1 561 558 560 1 562 558 561 1 563 561 562 ar 564 561 563 ar @SUBSTRUCTURE 1 LYS531 5 RESIDUE 4 z LYS 1 2 LYS532 27 RESIDUE 4 z LYS 2 3 GLU533 49 RESIDUE 4 z GLU 2 4 ARG534 64 RESIDUE 4 z ARG 2 5 LYS535 88 RESIDUE 4 z LYS 2 6 LYS536 110 RESIDUE 4 z LYS 2 7 MET537 132 RESIDUE 4 z MET 2 8 VAL538 149 RESIDUE 4 z VAL 2 9 LYS539 165 RESIDUE 4 z LYS 2 10 GLU540 187 RESIDUE 4 z GLU 2 11 ALA541 202 RESIDUE 4 z ALA 2 12 GLN542 212 RESIDUE 4 z GLN 2 13 ARG543 229 RESIDUE 4 z ARG 2 14 GLU544 253 RESIDUE 4 z GLU 2 15 LYS545 268 RESIDUE 4 z LYS 2 16 ARG546 290 RESIDUE 4 z ARG 2 17 LYS547 314 RESIDUE 4 z LYS 2 18 ASN548 336 RESIDUE 4 z ASN 2 19 LYS549 350 RESIDUE 4 z LYS 2 20 ILE550 372 RESIDUE 4 z ILE 2 21 PRO551 390 RESIDUE 4 z PRO 2 22 LYS552 405 RESIDUE 4 z LYS 2 23 HIS553 427 RESIDUE 4 z HIS 2 24 VAL554 444 RESIDUE 4 z VAL 2 25 LYS555 460 RESIDUE 4 z LYS 2 26 LYS556 482 RESIDUE 4 z LYS 2 27 ARG557 504 RESIDUE 4 z ARG 2 28 LYS558 528 RESIDUE 4 z LYS 2 29 GLU559 550 RESIDUE 4 z GLU 1 # MOE 2012.10 (io_trps.svl 2012.10)