#################################################################### # DELTA # # Database for Extended Ligand-Target Analyses # # 2025 # #################################################################### @MOLECULE 5G3N_min 1897 1919 128 0 0 SMALL USER_CHARGES File created by VEGA ZZ 3.2.4 @ATOM 1 N -0.7360 34.0700 -11.7460 N.4 1 ALA1 -0.0644 2 CA -2.1120 33.5780 -11.7490 C.3 1 ALA1 0.1902 3 C -2.5240 33.2890 -10.2950 C.2 1 ALA1 0.2312 4 O -1.6530 33.0230 -9.4860 O.2 1 ALA1 -0.2773 5 CB -2.3288 32.3453 -12.6354 C.3 1 ALA1 -0.0286 6 H1 -0.6414 34.7955 -10.9977 H 1 ALA1 0.2750 7 H2 -0.4944 34.5038 -12.6533 H 1 ALA1 0.2750 8 H3 -0.0807 33.2989 -11.5124 H 1 ALA1 0.2750 9 HA -2.7449 34.3954 -12.0989 H 1 ALA1 0.0687 10 HB1 -3.3651 32.0064 -12.5947 H 1 ALA1 0.0254 11 HB2 -1.6941 31.5141 -12.3312 H 1 ALA1 0.0254 12 HB3 -2.1069 32.5641 -13.6779 H 1 ALA1 0.0254 13 N -3.8100 33.3150 -9.9610 N.am 2 LEU2 -0.2452 14 CA -4.2790 33.0340 -8.5770 C.3 2 LEU2 0.0880 15 C -3.7940 31.6810 -8.0280 C.2 2 LEU2 0.2187 16 O -3.4750 31.5760 -6.8290 O.2 2 LEU2 -0.2778 17 CB -5.8096 33.1524 -8.4746 C.3 2 LEU2 -0.0266 18 CG -6.3797 34.5027 -8.9518 C.3 2 LEU2 -0.0449 19 CD1 -7.9046 34.5319 -8.7899 C.3 2 LEU2 -0.0626 20 CD2 -5.7452 35.7020 -8.2290 C.3 2 LEU2 -0.0626 21 H -4.5000 33.5350 -10.6790 H 2 LEU2 0.1312 22 HA -3.8171 33.7979 -7.9490 H 2 LEU2 0.0557 23 HB1 -6.1089 32.9937 -7.4369 H 2 LEU2 0.0287 24 HB2 -6.2732 32.3498 -9.0498 H 2 LEU2 0.0287 25 HG -6.1713 34.5989 -10.0149 H 2 LEU2 0.0296 26 HD11 -8.3234 35.4649 -9.1674 H 2 LEU2 0.0232 27 HD12 -8.1900 34.4416 -7.7412 H 2 LEU2 0.0232 28 HD13 -8.3742 33.7137 -9.3364 H 2 LEU2 0.0232 29 HD21 -6.2128 36.6378 -8.5353 H 2 LEU2 0.0232 30 HD22 -4.6814 35.7928 -8.4498 H 2 LEU2 0.0232 31 HD23 -5.8566 35.6166 -7.1474 H 2 LEU2 0.0232 32 N -3.6490 30.6850 -8.9160 N.am 3 VAL3 -0.2454 33 CA -3.1300 29.3610 -8.5340 C.3 3 VAL3 0.0901 34 C -1.6950 29.4970 -7.9590 C.2 3 VAL3 0.2189 35 O -1.3920 28.9460 -6.8870 O.2 3 VAL3 -0.2778 36 CB -3.2166 28.3834 -9.7246 C.3 3 VAL3 -0.0227 37 CG1 -2.4502 28.8605 -10.9689 C.3 3 VAL3 -0.0608 38 CG2 -2.7854 26.9638 -9.3274 C.3 3 VAL3 -0.0608 39 H -3.9070 30.8510 -9.8890 H 3 VAL3 0.1312 40 HA -3.7713 29.0055 -7.7251 H 3 VAL3 0.0560 41 HB -4.2694 28.3269 -10.0049 H 3 VAL3 0.0315 42 HG11 -2.6084 28.1763 -11.8029 H 3 VAL3 0.0233 43 HG12 -1.3765 28.9115 -10.7910 H 3 VAL3 0.0233 44 HG13 -2.7903 29.8434 -11.2898 H 3 VAL3 0.0233 45 HG21 -2.9507 26.2618 -10.1452 H 3 VAL3 0.0233 46 HG22 -3.3540 26.6073 -8.4679 H 3 VAL3 0.0233 47 HG23 -1.7275 26.9245 -9.0670 H 3 VAL3 0.0233 48 N -0.8540 30.3340 -8.6100 N.am 4 ASN4 -0.2452 49 CA 0.5120 30.5980 -8.1650 C.3 4 ASN4 0.0957 50 C 0.4850 31.3550 -6.8400 C.2 4 ASN4 0.2191 51 O 1.2850 31.0520 -5.9570 O.2 4 ASN4 -0.2778 52 CB 1.2418 31.4937 -9.1858 C.3 4 ASN4 0.0446 53 CG 1.1439 30.9931 -10.6324 C.2 4 ASN4 0.2000 54 OD1 0.6575 31.6861 -11.5198 O.2 4 ASN4 -0.2797 55 ND2 1.6319 29.7586 -10.8198 N.am 4 ASN4 -0.2723 56 H -1.1900 30.8030 -9.4510 H 4 ASN4 0.1312 57 HA 1.0122 29.6393 -8.0262 H 4 ASN4 0.0562 58 HB1 2.2951 31.5955 -8.9235 H 4 ASN4 0.0375 59 HB2 0.8149 32.4958 -9.1772 H 4 ASN4 0.0375 60 HD21 1.6097 29.3463 -11.7297 H 4 ASN4 0.1266 61 HD22 2.0221 29.2384 -10.0618 H 4 ASN4 0.1266 62 N -0.3620 32.3950 -6.7370 N.am 5 PHE5 -0.2453 63 CA -0.5260 33.1760 -5.4920 C.3 5 PHE5 0.0917 64 C -0.8680 32.2820 -4.3010 C.2 5 PHE5 0.2190 65 O -0.3070 32.4620 -3.2320 O.2 5 PHE5 -0.2778 66 CB -1.5958 34.2525 -5.7543 C.3 5 PHE5 -0.0036 67 CG -1.7678 35.3063 -4.6851 C.ar 5 PHE5 -0.0454 68 CD1 -0.7342 35.6860 -3.8285 C.ar 5 PHE5 -0.0585 69 CD2 -2.9762 35.9936 -4.6132 C.ar 5 PHE5 -0.0585 70 CE1 -0.9112 36.7204 -2.9193 C.ar 5 PHE5 -0.0615 71 CE2 -3.1638 37.0124 -3.6905 C.ar 5 PHE5 -0.0615 72 CZ -2.1275 37.3841 -2.8494 C.ar 5 PHE5 -0.0617 73 H -0.9150 32.6560 -7.5530 H 5 PHE5 0.1312 74 HA 0.4481 33.6342 -5.3173 H 5 PHE5 0.0560 75 HB1 -2.5581 33.7736 -5.9285 H 5 PHE5 0.0333 76 HB2 -1.3548 34.7748 -6.6793 H 5 PHE5 0.0333 77 HD1 0.2317 35.2076 -3.8713 H 5 PHE5 0.0620 78 HD2 -3.7786 35.7431 -5.2911 H 5 PHE5 0.0620 79 HE1 -0.0954 37.0134 -2.2751 H 5 PHE5 0.0618 80 HE2 -4.1053 37.5393 -3.6536 H 5 PHE5 0.0618 81 HZ -2.2673 38.1951 -2.1521 H 5 PHE5 0.0618 82 N -1.7370 31.2730 -4.4980 N.am 6 HIS6 -0.2453 83 CA -2.1920 30.3370 -3.4480 C.3 6 HIS6 0.0932 84 C -0.9760 29.5630 -2.9180 C.2 6 HIS6 0.2190 85 O -0.8340 29.3690 -1.7020 O.2 6 HIS6 -0.2778 86 CB -3.2577 29.3890 -4.0232 C.3 6 HIS6 0.0146 87 CG -3.9206 28.5895 -2.9198 C.ar 6 HIS6 0.0551 88 ND1 -3.2838 27.6671 -2.1669 N.ar 6 HIS6 -0.2469 89 CD2 -5.2639 28.6329 -2.5087 C.ar 6 HIS6 0.0047 90 CE1 -4.1958 27.1925 -1.3017 C.ar 6 HIS6 0.0737 91 NE2 -5.4031 27.7585 -1.4846 N.ar 6 HIS6 -0.2539 92 H -2.1080 31.1450 -5.4400 H 6 HIS6 0.1312 93 HA -2.6019 30.9468 -2.6411 H 6 HIS6 0.0561 94 HB1 -2.8234 28.7050 -4.7520 H 6 HIS6 0.0348 95 HB2 -4.0209 29.9601 -4.5495 H 6 HIS6 0.0348 96 HD2 -6.0374 29.2607 -2.9249 H 6 HIS6 0.0764 97 HE1 -3.9811 26.4361 -0.5582 H 6 HIS6 0.0963 98 HE2 -6.2228 27.5532 -0.9893 H 6 HIS6 0.1339 99 N -0.0520 29.1820 -3.8400 N.am 7 ARG7 -0.2456 100 CA 1.1710 28.4850 -3.4610 C.3 7 ARG7 0.0879 101 C 2.0820 29.4130 -2.6800 C.2 7 ARG7 0.2187 102 O 2.5670 29.0220 -1.6290 O.2 7 ARG7 -0.2778 103 CB 1.9533 27.9657 -4.6760 C.3 7 ARG7 -0.0258 104 CG 1.3068 26.7635 -5.3716 C.3 7 ARG7 -0.0154 105 CD 2.2645 26.0646 -6.3525 C.3 7 ARG7 0.1045 106 NE 3.3529 25.3835 -5.6337 N.pl3 7 ARG7 -0.4450 107 CZ 4.5959 25.8395 -5.4558 C.cat 7 ARG7 0.5062 108 NH1 4.9855 26.9917 -5.9320 N.pl3 7 ARG7 -0.4573 109 NH2 5.4533 25.1184 -4.7840 N.pl3 7 ARG7 -0.4573 110 H -0.2190 29.3900 -4.8250 H 7 ARG7 0.1312 111 HA 0.8848 27.6630 -2.8019 H 7 ARG7 0.0557 112 HB1 2.9401 27.6677 -4.3246 H 7 ARG7 0.0286 113 HB2 2.1168 28.7672 -5.3965 H 7 ARG7 0.0286 114 HG1 0.4105 27.0941 -5.8986 H 7 ARG7 0.0299 115 HG2 0.9716 26.0414 -4.6259 H 7 ARG7 0.0299 116 HD1 2.6683 26.7563 -7.0945 H 7 ARG7 0.0711 117 HD2 1.7275 25.2883 -6.9031 H 7 ARG7 0.0711 118 HE 3.1492 24.4914 -5.2315 H 7 ARG7 0.3153 119 HH11 5.9211 27.3104 -5.7890 H 7 ARG7 0.3114 120 HH12 4.3441 27.5598 -6.4380 H 7 ARG7 0.3114 121 HH21 6.3833 25.4520 -4.6401 H 7 ARG7 0.3114 122 HH22 5.1857 24.2333 -4.4104 H 7 ARG7 0.3114 123 N 2.2860 30.6660 -3.1400 N.am 8 MET8 -0.2456 124 CA 3.1280 31.6000 -2.3890 C.3 8 MET8 0.0885 125 C 2.6220 31.7650 -0.9860 C.2 8 MET8 0.2187 126 O 3.4290 31.7560 -0.0530 O.2 8 MET8 -0.2778 127 CB 3.0791 33.0187 -3.0020 C.3 8 MET8 -0.0199 128 CG 3.7778 33.2228 -4.3464 C.3 8 MET8 -0.0047 129 SD 3.7506 34.9884 -4.7212 S.3 8 MET8 -0.1641 130 CE 4.8863 35.0606 -6.1157 C.3 8 MET8 -0.0181 131 H 1.8520 30.9630 -4.0140 H 8 MET8 0.1312 132 HA 4.1447 31.2103 -2.3650 H 8 MET8 0.0557 133 HB1 3.5447 33.7223 -2.3080 H 8 MET8 0.0293 134 HB2 2.0439 33.3485 -3.1005 H 8 MET8 0.0293 135 HG1 3.2956 32.6674 -5.1511 H 8 MET8 0.0377 136 HG2 4.8146 32.8923 -4.2918 H 8 MET8 0.0377 137 HE1 5.7567 35.6641 -5.8622 H 8 MET8 0.0340 138 HE2 4.3964 35.5547 -6.9541 H 8 MET8 0.0340 139 HE3 5.2053 34.0657 -6.4208 H 8 MET8 0.0340 140 N 1.2950 31.9460 -0.8290 N.am 9 ILE9 -0.2454 141 CA 0.6970 32.1230 0.5180 C.3 9 ILE9 0.0903 142 C 0.9310 30.8860 1.4220 C.2 9 ILE9 0.2189 143 O 1.2610 31.0210 2.6150 O.2 9 ILE9 -0.2778 144 CB -0.7952 32.4824 0.3735 C.3 9 ILE9 -0.0201 145 CG1 -0.9607 33.8478 -0.3247 C.3 9 ILE9 -0.0514 146 CG2 -1.5319 32.4765 1.7288 C.3 9 ILE9 -0.0605 147 CD1 -2.3974 34.1170 -0.7796 C.3 9 ILE9 -0.0650 148 H 0.6910 31.9620 -1.6510 H 9 ILE9 0.1312 149 HA 1.2262 32.9574 0.9817 H 9 ILE9 0.0560 150 HB -1.2437 31.7211 -0.2654 H 9 ILE9 0.0318 151 HG11 -0.3185 33.9081 -1.2027 H 9 ILE9 0.0266 152 HG12 -0.6245 34.6454 0.3364 H 9 ILE9 0.0266 153 HG21 -2.5731 32.7722 1.6224 H 9 ILE9 0.0233 154 HG22 -1.0645 33.1650 2.4334 H 9 ILE9 0.0233 155 HG23 -1.5426 31.4830 2.1769 H 9 ILE9 0.0233 156 HD11 -2.4691 35.0570 -1.3203 H 9 ILE9 0.0230 157 HD12 -3.0856 34.1825 0.0613 H 9 ILE9 0.0230 158 HD13 -2.7366 33.3279 -1.4499 H 9 ILE9 0.0230 159 N 0.7840 29.6850 0.8560 N.am 10 LYS10 -0.2456 160 CA 1.0650 28.4840 1.6650 C.3 10 LYS10 0.0878 161 C 2.5030 28.5560 2.2310 C.2 10 LYS10 0.2187 162 O 2.7200 28.3020 3.4060 O.2 10 LYS10 -0.2778 163 CB 0.8066 27.2062 0.8577 C.3 10 LYS10 -0.0289 164 CG 0.8957 25.9262 1.7091 C.3 10 LYS10 -0.0496 165 CD -0.0778 25.9351 2.8991 C.3 10 LYS10 -0.0278 166 CE -0.1443 24.5979 3.6435 C.3 10 LYS10 0.1103 167 NZ -1.1656 24.6283 4.6845 N.4 10 LYS10 -0.0749 168 H 0.4840 29.6000 -0.1150 H 10 LYS10 0.1312 169 HA 0.3734 28.5438 2.5046 H 10 LYS10 0.0557 170 HB1 1.5048 27.1478 0.0221 H 10 LYS10 0.0285 171 HB2 -0.1882 27.2684 0.4142 H 10 LYS10 0.0285 172 HG1 1.9154 25.7868 2.0696 H 10 LYS10 0.0266 173 HG2 0.6767 25.0693 1.0713 H 10 LYS10 0.0266 174 HD1 -1.0757 26.1931 2.5398 H 10 LYS10 0.0282 175 HD2 0.2057 26.7132 3.6048 H 10 LYS10 0.0282 176 HE1 0.8127 24.3366 4.0963 H 10 LYS10 0.0559 177 HE2 -0.4125 23.8031 2.9445 H 10 LYS10 0.0559 178 HZ1 -1.4563 23.6724 4.9590 H 10 LYS10 0.2742 179 HZ2 -2.0345 25.0375 4.2774 H 10 LYS10 0.2742 180 HZ3 -0.8924 25.2097 5.4950 H 10 LYS10 0.2742 181 N 3.4730 28.9420 1.3880 N.am 11 LEU11 -0.2456 182 CA 4.8810 29.0620 1.7510 C.3 11 LEU11 0.0880 183 C 5.1910 30.1630 2.7720 C.2 11 LEU11 0.2187 184 O 5.9400 29.9130 3.7200 O.2 11 LEU11 -0.2778 185 CB 5.6953 29.3018 0.4640 C.3 11 LEU11 -0.0266 186 CG 5.6380 28.1339 -0.5409 C.3 11 LEU11 -0.0449 187 CD1 6.0585 28.6001 -1.9396 C.3 11 LEU11 -0.0626 188 CD2 6.5101 26.9582 -0.0811 C.3 11 LEU11 -0.0626 189 H 3.2080 29.1670 0.4290 H 11 LEU11 0.1312 190 HA 5.1667 28.1129 2.2052 H 11 LEU11 0.0557 191 HB1 6.7397 29.5055 0.7072 H 11 LEU11 0.0287 192 HB2 5.3257 30.2061 -0.0191 H 11 LEU11 0.0287 193 HG 4.6107 27.7784 -0.6216 H 11 LEU11 0.0296 194 HD11 6.0725 27.7721 -2.6479 H 11 LEU11 0.0232 195 HD12 7.0518 29.0474 -1.9220 H 11 LEU11 0.0232 196 HD13 5.3647 29.3473 -2.3218 H 11 LEU11 0.0232 197 HD21 6.4682 26.1358 -0.7950 H 11 LEU11 0.0232 198 HD22 6.1816 26.5712 0.8832 H 11 LEU11 0.0232 199 HD23 7.5536 27.2590 0.0184 H 11 LEU11 0.0232 200 N 4.6180 31.3660 2.5990 N.am 12 THR12 -0.2434 201 CA 4.8940 32.4550 3.5360 C.3 12 THR12 0.1135 202 C 4.1050 32.4010 4.8340 C.2 12 THR12 0.2213 203 O 4.5670 32.9340 5.8500 O.2 12 THR12 -0.2777 204 CB 4.6834 33.8247 2.8603 C.3 12 THR12 0.0763 205 OG1 3.2939 34.0394 2.6775 O.3 12 THR12 -0.3900 206 CG2 5.4472 33.9672 1.5328 C.3 12 THR12 -0.0370 207 H 3.9880 31.5200 1.8120 H 12 THR12 0.1313 208 HA 5.9480 32.3750 3.8008 H 12 THR12 0.0583 209 HB 5.0841 34.5782 3.5457 H 12 THR12 0.0611 210 HG1 3.1254 34.9224 2.3647 H 12 THR12 0.2098 211 HG21 5.3943 34.9862 1.1482 H 12 THR12 0.0255 212 HG22 5.0494 33.3102 0.7630 H 12 THR12 0.0255 213 HG23 6.5007 33.7208 1.6609 H 12 THR12 0.0255 214 N 2.9110 31.8580 4.8030 N.am 13 THR13 -0.2433 215 CA 2.0640 31.8560 6.0000 C.3 13 THR13 0.1135 216 C 1.7940 30.4930 6.5900 C.2 13 THR13 0.2210 217 O 1.3920 30.4120 7.7560 O.2 13 THR13 -0.2777 218 CB 0.7096 32.5479 5.6928 C.3 13 THR13 0.0763 219 OG1 -0.1883 31.7114 4.9965 O.3 13 THR13 -0.3900 220 CG2 0.8476 33.8934 4.9614 C.3 13 THR13 -0.0370 221 H 2.5690 31.4340 3.9400 H 13 THR13 0.1313 222 HA 2.5428 32.4476 6.7763 H 13 THR13 0.0583 223 HB 0.2213 32.7599 6.6458 H 13 THR13 0.0611 224 HG1 0.2115 31.4487 4.1719 H 13 THR13 0.2098 225 HG21 -0.1171 34.3968 4.8980 H 13 THR13 0.0255 226 HG22 1.2081 33.7691 3.9415 H 13 THR13 0.0255 227 HG23 1.5359 34.5600 5.4804 H 13 THR13 0.0255 228 N 1.8850 29.4470 5.7660 N.am 14 GLY14 -0.2484 229 CA 1.4850 28.0910 6.1640 C.3 14 GLY14 0.0765 230 C -0.0180 27.8400 6.1060 C.2 14 GLY14 0.2155 231 O -0.4640 26.7180 6.3570 O.2 14 GLY14 -0.2781 232 H 2.2460 29.5950 4.8240 H 14 GLY14 0.1309 233 HA1 1.8473 27.9031 7.1750 H 14 GLY14 0.0521 234 HA2 1.9866 27.3915 5.4972 H 14 GLY14 0.0521 235 N -0.8060 28.8420 5.6930 N.am 15 LYS15 -0.2459 236 CA -2.2790 28.7850 5.6180 C.3 15 LYS15 0.0878 237 C -2.7510 28.4580 4.2140 C.2 15 LYS15 0.2187 238 O -2.0470 28.7010 3.2300 O.2 15 LYS15 -0.2778 239 CB -2.8751 30.0953 6.1802 C.3 15 LYS15 -0.0289 240 CG -3.6036 29.8748 7.5177 C.3 15 LYS15 -0.0496 241 CD -3.9866 31.1848 8.2278 C.3 15 LYS15 -0.0278 242 CE -5.0930 31.0023 9.2821 C.3 15 LYS15 0.1103 243 NZ -6.4427 30.9560 8.7116 N.4 15 LYS15 -0.0749 244 H -0.3530 29.7110 5.4090 H 15 LYS15 0.1312 245 HA -2.5946 27.9446 6.2402 H 15 LYS15 0.0557 246 HB1 -3.5640 30.5547 5.4691 H 15 LYS15 0.0285 247 HB2 -2.0794 30.8259 6.3249 H 15 LYS15 0.0285 248 HG1 -2.9715 29.2878 8.1857 H 15 LYS15 0.0266 249 HG2 -4.4857 29.2615 7.3365 H 15 LYS15 0.0266 250 HD1 -4.2774 31.9456 7.5064 H 15 LYS15 0.0282 251 HD2 -3.0920 31.5813 8.7099 H 15 LYS15 0.0282 252 HE1 -5.0649 31.8300 9.9926 H 15 LYS15 0.0559 253 HE2 -4.9267 30.0874 9.8546 H 15 LYS15 0.0559 254 HZ1 -7.1538 30.7701 9.4457 H 15 LYS15 0.2742 255 HZ2 -6.4923 30.2191 7.9765 H 15 LYS15 0.2742 256 HZ3 -6.6696 31.8655 8.2598 H 15 LYS15 0.2742 257 N -3.9590 27.9150 4.1220 N.am 16 GLU16 -0.2456 258 CA -4.5870 27.6420 2.8270 C.3 16 GLU16 0.0883 259 C -5.2890 28.9510 2.4690 C.2 16 GLU16 0.2187 260 O -6.1930 29.3820 3.1700 O.2 16 GLU16 -0.2778 261 CB -5.6702 26.5537 3.0194 C.3 16 GLU16 -0.0193 262 CG -5.1866 25.1050 2.8589 C.3 16 GLU16 0.0356 263 CD -3.8712 24.8183 3.5872 C.2 16 GLU16 0.1760 264 OE1 -3.7222 25.1286 4.7692 O.co2 16 GLU16 -0.6478 265 OE2 -2.9631 24.2825 2.9662 O.co2 16 GLU16 -0.6478 266 H -4.4640 27.6810 4.9770 H 16 GLU16 0.1312 267 HA -3.8360 27.3700 2.0818 H 16 GLU16 0.0557 268 HB1 -6.4828 26.6924 2.3041 H 16 GLU16 0.0290 269 HB2 -6.1270 26.6718 4.0030 H 16 GLU16 0.0290 270 HG1 -5.0426 24.8858 1.8005 H 16 GLU16 0.0374 271 HG2 -5.9386 24.4067 3.2240 H 16 GLU16 0.0374 272 N -4.7850 29.6400 1.4390 N.am 17 ALA17 -0.2459 273 CA -5.2390 30.9750 1.0560 C.3 17 ALA17 0.0850 274 C -6.7180 31.1030 0.7650 C.2 17 ALA17 0.2184 275 O -7.3000 32.1270 1.1350 O.2 17 ALA17 -0.2778 276 CB -4.4393 31.4343 -0.1639 C.3 17 ALA17 -0.0411 277 H -4.0410 29.2090 0.8900 H 17 ALA17 0.1312 278 HA -5.0135 31.6104 1.9058 H 17 ALA17 0.0554 279 HB1 -4.6060 32.4920 -0.3563 H 17 ALA17 0.0249 280 HB2 -4.7146 30.8870 -1.0635 H 17 ALA17 0.0249 281 HB3 -3.3738 31.2834 -0.0084 H 17 ALA17 0.0249 282 N -7.3370 30.0790 0.1290 N.am 18 ALA18 -0.2459 283 CA -8.7720 30.1260 -0.1920 C.3 18 ALA18 0.0850 284 C -9.6270 30.2420 1.0910 C.2 18 ALA18 0.2184 285 O -10.4610 31.1380 1.1780 O.2 18 ALA18 -0.2778 286 CB -9.1438 28.8690 -0.9847 C.3 18 ALA18 -0.0411 287 H -6.7950 29.2560 -0.1340 H 18 ALA18 0.1312 288 HA -8.9370 31.0182 -0.7967 H 18 ALA18 0.0554 289 HB1 -10.1963 28.8779 -1.2698 H 18 ALA18 0.0249 290 HB2 -8.9593 27.9637 -0.4050 H 18 ALA18 0.0249 291 HB3 -8.5539 28.8018 -1.8991 H 18 ALA18 0.0249 292 N -9.3170 29.4660 2.1170 N.am 19 LEU19 -0.2457 293 CA -10.0260 29.5710 3.3950 C.3 19 LEU19 0.0880 294 C -9.6190 30.8160 4.2110 C.2 19 LEU19 0.2187 295 O -10.4800 31.5760 4.6770 O.2 19 LEU19 -0.2778 296 CB -9.7402 28.3029 4.2199 C.3 19 LEU19 -0.0266 297 CG -10.1508 26.9900 3.5280 C.3 19 LEU19 -0.0449 298 CD1 -9.6578 25.7824 4.3354 C.3 19 LEU19 -0.0626 299 CD2 -11.6683 26.9104 3.3109 C.3 19 LEU19 -0.0626 300 H -8.5690 28.7800 2.0160 H 19 LEU19 0.1312 301 HA -11.0932 29.6509 3.1806 H 19 LEU19 0.0557 302 HB1 -10.2486 28.3694 5.1832 H 19 LEU19 0.0287 303 HB2 -8.6728 28.2557 4.4401 H 19 LEU19 0.0287 304 HG -9.6679 26.9348 2.5517 H 19 LEU19 0.0296 305 HD11 -9.9160 24.8467 3.8387 H 19 LEU19 0.0232 306 HD12 -10.1026 25.7645 5.3307 H 19 LEU19 0.0232 307 HD13 -8.5738 25.8031 4.4528 H 19 LEU19 0.0232 308 HD21 -11.9490 25.9561 2.8644 H 19 LEU19 0.0232 309 HD22 -12.0198 27.6949 2.6412 H 19 LEU19 0.0232 310 HD23 -12.2076 27.0078 4.2536 H 19 LEU19 0.0232 311 N -8.3240 31.0340 4.3670 N.am 20 SER20 -0.2436 312 CA -7.8130 32.0970 5.2690 C.3 20 SER20 0.1109 313 C -7.7610 33.5100 4.7340 C.2 20 SER20 0.2209 314 O -7.8240 34.4430 5.5450 O.2 20 SER20 -0.2777 315 CB -6.3724 31.7007 5.6046 C.3 20 SER20 0.0681 316 OG -6.3268 30.4226 6.2212 O.3 20 SER20 -0.3930 317 H -7.6580 30.4560 3.8540 H 20 SER20 0.1312 318 HA -8.4295 32.0875 6.1669 H 20 SER20 0.0580 319 HB1 -5.9406 32.4286 6.2908 H 20 SER20 0.0577 320 HB2 -5.7344 31.7172 4.7107 H 20 SER20 0.0577 321 HG -6.5883 29.7571 5.5809 H 20 SER20 0.2095 322 N -7.6410 33.6980 3.4110 N.am 21 TYR21 -0.2453 323 CA -7.5130 35.0390 2.8840 C.3 21 TYR21 0.0917 324 C -8.4980 35.3960 1.7770 C.2 21 TYR21 0.2188 325 O -8.6960 36.5770 1.5480 O.2 21 TYR21 -0.2778 326 CB -6.0629 35.2532 2.3999 C.3 21 TYR21 -0.0036 327 CG -5.0539 35.1876 3.5236 C.ar 21 TYR21 -0.0453 328 CD1 -4.8477 36.2822 4.3593 C.ar 21 TYR21 -0.0561 329 CD2 -4.2900 34.0424 3.7290 C.ar 21 TYR21 -0.0561 330 CE1 -3.9117 36.2206 5.3860 C.ar 21 TYR21 -0.0317 331 CE2 -3.3620 33.9729 4.7600 C.ar 21 TYR21 -0.0317 332 CZ -3.1791 35.0613 5.5971 C.ar 21 TYR21 0.0726 333 OH -2.2651 34.9932 6.6299 O.3 21 TYR21 -0.3598 334 H -7.6400 32.8980 2.7790 H 21 TYR21 0.1312 335 HA -7.7119 35.7666 3.6718 H 21 TYR21 0.0560 336 HB1 -5.9640 36.2299 1.9246 H 21 TYR21 0.0333 337 HB2 -5.8063 34.5135 1.6401 H 21 TYR21 0.0333 338 HD1 -5.4103 37.1927 4.2085 H 21 TYR21 0.0621 339 HD2 -4.4120 33.1949 3.0791 H 21 TYR21 0.0621 340 HE1 -3.7538 37.0735 6.0275 H 21 TYR21 0.0643 341 HE2 -2.7719 33.0792 4.9032 H 21 TYR21 0.0643 342 HH -2.1019 35.8694 6.9580 H 21 TYR21 0.2173 343 N -9.1310 34.4100 1.1490 N.am 22 GLY22 -0.2485 344 CA -10.0420 34.6300 0.0130 C.3 22 GLY22 0.0765 345 C -11.2550 35.5230 0.2220 C.2 22 GLY22 0.2155 346 O -11.7930 36.0740 -0.7410 O.2 22 GLY22 -0.2781 347 H -8.9780 33.4540 1.4700 H 22 GLY22 0.1309 348 HA1 -10.3901 33.6425 -0.2914 H 22 GLY22 0.0521 349 HA2 -9.4432 35.0344 -0.8041 H 22 GLY22 0.0521 350 N -11.7190 35.6550 1.4670 N.am 23 PHE23 -0.2456 351 CA -12.9210 36.3990 1.8690 C.3 23 PHE23 0.0917 352 C -12.6620 37.3360 3.0460 C.2 23 PHE23 0.2190 353 O -13.5950 37.8240 3.6900 O.2 23 PHE23 -0.2778 354 CB -14.0040 35.3780 2.2970 C.3 23 PHE23 -0.0036 355 CG -14.1080 34.1900 1.3810 C.ar 23 PHE23 -0.0454 356 CD1 -14.8640 34.2550 0.2130 C.ar 23 PHE23 -0.0585 357 CD2 -13.4460 33.0000 1.6800 C.ar 23 PHE23 -0.0585 358 CE1 -14.9190 33.1700 -0.6580 C.ar 23 PHE23 -0.0615 359 CE2 -13.5590 31.8920 0.8370 C.ar 23 PHE23 -0.0615 360 CZ -14.3000 31.9810 -0.3220 C.ar 23 PHE23 -0.0617 361 H -11.1900 35.1970 2.2090 H 23 PHE23 0.1312 362 HA -13.2950 36.9910 1.0020 H 23 PHE23 0.0560 363 HB1 -14.9950 35.8780 2.4080 H 23 PHE23 0.0333 364 HB2 -13.7150 34.9940 3.3030 H 23 PHE23 0.0333 365 HD1 -15.4250 35.1750 -0.0240 H 23 PHE23 0.0620 366 HD2 -12.8270 32.9330 2.5910 H 23 PHE23 0.0620 367 HE1 -15.4570 33.2590 -1.6170 H 23 PHE23 0.0618 368 HE2 -13.0550 30.9460 1.0990 H 23 PHE23 0.0618 369 HZ -14.3990 31.1030 -0.9820 H 23 PHE23 0.0618 370 N -11.4020 37.5470 3.3680 N.am 24 TYR24 -0.2453 371 CA -11.0240 38.3080 4.5560 C.3 24 TYR24 0.0917 372 C -11.2780 39.8040 4.4570 C.2 24 TYR24 0.2188 373 O -10.8810 40.4490 3.4840 O.2 24 TYR24 -0.2778 374 CB -9.5195 38.0503 4.8242 C.3 24 TYR24 -0.0036 375 CG -9.0158 38.5958 6.1428 C.ar 24 TYR24 -0.0453 376 CD1 -8.7360 39.9537 6.3023 C.ar 24 TYR24 -0.0561 377 CD2 -8.7701 37.7374 7.2121 C.ar 24 TYR24 -0.0561 378 CE1 -8.2993 40.4504 7.5243 C.ar 24 TYR24 -0.0317 379 CE2 -8.3179 38.2298 8.4302 C.ar 24 TYR24 -0.0317 380 CZ -8.0945 39.5882 8.5912 C.ar 24 TYR24 0.0726 381 OH -7.6812 40.0742 9.8147 O.3 24 TYR24 -0.3598 382 H -10.6680 37.1680 2.7700 H 24 TYR24 0.1312 383 HA -11.5923 37.8838 5.3801 H 24 TYR24 0.0560 384 HB1 -8.9032 38.4642 4.0273 H 24 TYR24 0.0333 385 HB2 -9.3364 36.9754 4.8055 H 24 TYR24 0.0333 386 HD1 -8.8681 40.6447 5.4803 H 24 TYR24 0.0621 387 HD2 -8.9197 36.6743 7.1000 H 24 TYR24 0.0621 388 HE1 -8.1114 41.5073 7.6427 H 24 TYR24 0.0643 389 HE2 -8.1445 37.5611 9.2603 H 24 TYR24 0.0643 390 HH -7.6885 41.0252 9.8063 H 24 TYR24 0.2173 391 N -11.8720 40.3470 5.5190 N.am 25 GLY25 -0.2485 392 CA -12.1140 41.7760 5.6760 C.3 25 GLY25 0.0765 393 C -12.9700 42.3830 4.5980 C.2 25 GLY25 0.2156 394 O -13.9120 41.7580 4.1170 O.2 25 GLY25 -0.2781 395 H -12.1760 39.7250 6.2680 H 25 GLY25 0.1309 396 HA1 -11.1480 42.3270 5.7620 H 25 GLY25 0.0521 397 HA2 -12.6560 41.9120 6.6410 H 25 GLY25 0.0521 398 N -12.6050 43.5980 4.1960 N.am 26 CYS26 -0.2451 399 CA -13.3190 44.3800 3.2180 C.3 26 CYS26 0.0975 400 C -12.7060 44.3630 1.8550 C.2 26 CYS26 0.2195 401 O -13.3830 44.7320 0.8960 O.2 26 CYS26 -0.2778 402 CB -13.4388 45.7925 3.7996 C.3 26 CYS26 0.0279 403 SG -14.6085 45.8072 5.1843 S.3 26 CYS26 -0.0910 404 H -11.7640 44.0030 4.6070 H 26 CYS26 0.1312 405 HA -14.3238 43.9744 3.1122 H 26 CYS26 0.0566 406 HB1 -12.4736 46.1563 4.1510 H 26 CYS26 0.0405 407 HB2 -13.7830 46.4968 3.0486 H 26 CYS26 0.0405 408 N -11.4450 43.9040 1.7270 N.am 27 HIS27 -0.2453 409 CA -10.7810 43.9710 0.4390 C.3 27 HIS27 0.0932 410 C -10.1870 42.6640 -0.0900 C.2 27 HIS27 0.2191 411 O -9.7660 42.6340 -1.2550 O.2 27 HIS27 -0.2778 412 CB -9.7070 45.0560 0.4960 C.3 27 HIS27 0.0146 413 CG -10.2900 46.4130 0.7580 C.ar 27 HIS27 0.0551 414 ND1 -10.5930 47.2860 -0.2820 N.ar 27 HIS27 -0.2469 415 CD2 -10.6800 46.9770 1.9290 C.ar 27 HIS27 0.0047 416 CE1 -11.0920 48.3800 0.2970 C.ar 27 HIS27 0.0737 417 NE2 -11.1470 48.2460 1.6250 N.ar 27 HIS27 -0.2539 418 H -10.9590 43.5110 2.5330 H 27 HIS27 0.1312 419 HA -11.5430 44.3060 -0.3030 H 27 HIS27 0.0561 420 HB1 -9.0830 45.0560 -0.4280 H 27 HIS27 0.0348 421 HB2 -9.0340 44.8130 1.3510 H 27 HIS27 0.0348 422 HD2 -10.6340 46.5150 2.9300 H 27 HIS27 0.0764 423 HE1 -11.4170 49.2800 -0.2510 H 27 HIS27 0.0963 424 HE2 -11.4720 48.9470 2.2910 H 27 HIS27 0.1339 425 N -10.1130 41.6160 0.7370 N.am 28 CYS28 -0.2448 426 CA -9.5340 40.3460 0.2970 C.3 28 CYS28 0.0975 427 C -10.6220 39.5420 -0.4200 C.2 28 CYS28 0.2193 428 O -11.6510 39.2440 0.1580 O.2 28 CYS28 -0.2778 429 CB -8.8761 39.5737 1.4368 C.3 28 CYS28 0.0279 430 SG -7.8637 40.6037 2.5241 S.3 28 CYS28 -0.0910 431 H -10.4660 41.7030 1.6900 H 28 CYS28 0.1312 432 HA -8.7428 40.5827 -0.4162 H 28 CYS28 0.0566 433 HB1 -9.6231 39.0552 2.0294 H 28 CYS28 0.0405 434 HB2 -8.2285 38.8087 1.0119 H 28 CYS28 0.0405 435 N -10.3900 39.2340 -1.6730 N.am 29 GLY29 -0.2484 436 CA -11.3670 38.5770 -2.5290 C.3 29 GLY29 0.0765 437 C -11.6890 39.5110 -3.6690 C.2 29 GLY29 0.2155 438 O -11.0930 40.5870 -3.7500 O.2 29 GLY29 -0.2781 439 H -9.4790 39.4660 -2.0680 H 29 GLY29 0.1309 440 HA1 -12.2750 38.2460 -1.9730 H 29 GLY29 0.0521 441 HA2 -10.8840 37.6690 -2.9600 H 29 GLY29 0.0521 442 N -12.6520 39.1490 -4.5460 N.am 30 VAL30 -0.2456 443 CA -12.9920 39.9740 -5.7240 C.3 30 VAL30 0.0901 444 C -13.5300 41.3500 -5.2920 C.2 30 VAL30 0.2187 445 O -14.4000 41.4370 -4.4300 O.2 30 VAL30 -0.2778 446 CB -14.0223 39.2298 -6.6024 C.3 30 VAL30 -0.0227 447 CG1 -14.3859 40.0284 -7.8655 C.3 30 VAL30 -0.0608 448 CG2 -13.5312 37.8301 -7.0041 C.3 30 VAL30 -0.0608 449 H -13.1600 38.2780 -4.3900 H 30 VAL30 0.1312 450 HA -12.0643 40.1178 -6.2828 H 30 VAL30 0.0560 451 HB -14.9352 39.0973 -6.0196 H 30 VAL30 0.0315 452 HG11 -15.0905 39.4761 -8.4878 H 30 VAL30 0.0233 453 HG12 -13.5005 40.2341 -8.4678 H 30 VAL30 0.0233 454 HG13 -14.8535 40.9824 -7.6220 H 30 VAL30 0.0233 455 HG21 -14.2803 37.3150 -7.6063 H 30 VAL30 0.0233 456 HG22 -13.3291 37.1996 -6.1386 H 30 VAL30 0.0233 457 HG23 -12.6203 37.8900 -7.5985 H 30 VAL30 0.0233 458 N -12.9580 42.4040 -5.8630 N.am 31 GLY31 -0.2485 459 CA -13.3240 43.7760 -5.5350 C.3 31 GLY31 0.0765 460 C -12.8900 44.1670 -4.1400 C.2 31 GLY31 0.2153 461 O -11.9870 43.5640 -3.5690 O.2 31 GLY31 -0.2781 462 H -12.2310 42.2470 -6.5610 H 31 GLY31 0.1309 463 HA1 -14.4160 43.9470 -5.6800 H 31 GLY31 0.0521 464 HA2 -12.7860 44.4430 -6.2490 H 31 GLY31 0.0521 465 N -13.5540 45.1590 -3.5830 N.am 32 GLY32 -0.2487 466 CA -13.2500 45.6530 -2.2460 C.3 32 GLY32 0.0765 467 C -13.7720 47.0600 -2.0670 C.2 32 GLY32 0.2155 468 O -13.7670 47.8460 -3.0170 O.2 32 GLY32 -0.2781 469 H -14.3100 45.5980 -4.1080 H 32 GLY32 0.1309 470 HA1 -12.1673 45.6647 -2.1053 H 32 GLY32 0.0521 471 HA2 -13.7115 44.9767 -1.5288 H 32 GLY32 0.0521 472 N -14.2650 47.3750 -0.8660 N.am 33 ARG33 -0.2459 473 CA -14.8050 48.7140 -0.5940 C.3 33 ARG33 0.0879 474 C -14.7610 49.0560 0.8660 C.2 33 ARG33 0.2185 475 O -14.6810 48.1580 1.7090 O.2 33 ARG33 -0.2778 476 CB -16.1747 48.9194 -1.2587 C.3 33 ARG33 -0.0258 477 CG -17.1521 47.7700 -0.9953 C.3 33 ARG33 -0.0154 478 CD -18.5815 48.0765 -1.4781 C.3 33 ARG33 0.1045 479 NE -19.0959 49.2752 -0.8166 N.pl3 33 ARG33 -0.4450 480 CZ -19.3492 49.3255 0.4856 C.cat 33 ARG33 0.5062 481 NH1 -19.3016 48.2547 1.2277 N.pl3 33 ARG33 -0.4573 482 NH2 -19.6426 50.4662 1.0426 N.pl3 33 ARG33 -0.4573 483 H -14.2670 46.6740 -0.1250 H 33 ARG33 0.1312 484 HA -14.1008 49.4102 -1.0539 H 33 ARG33 0.0557 485 HB1 -16.0360 49.0147 -2.3361 H 33 ARG33 0.0286 486 HB2 -16.5897 49.8732 -0.9326 H 33 ARG33 0.0286 487 HG1 -17.1374 47.5559 0.0713 H 33 ARG33 0.0299 488 HG2 -16.7981 46.8644 -1.4883 H 33 ARG33 0.0299 489 HD1 -19.2716 47.2490 -1.2979 H 33 ARG33 0.0711 490 HD2 -18.5891 48.2751 -2.5524 H 33 ARG33 0.0711 491 HE -19.2410 50.1050 -1.3523 H 33 ARG33 0.3153 492 HH11 -19.4405 48.3278 2.2128 H 33 ARG33 0.3114 493 HH12 -19.1117 47.3651 0.8167 H 33 ARG33 0.3114 494 HH21 -19.7644 50.4925 2.0318 H 33 ARG33 0.3114 495 HH22 -19.7307 51.2938 0.4948 H 33 ARG33 0.3114 496 N -14.8400 50.3530 1.1500 N.am 34 GLY34 -0.2485 497 CA -14.8260 50.8750 2.5020 C.3 34 GLY34 0.0765 498 C -13.4730 50.8360 3.1800 C.2 34 GLY34 0.2156 499 O -12.4430 50.5360 2.5670 O.2 34 GLY34 -0.2781 500 H -14.9140 51.0140 0.3770 H 34 GLY34 0.1309 501 HA1 -15.5720 50.3466 3.0968 H 34 GLY34 0.0521 502 HA2 -15.1084 51.9089 2.4034 H 34 GLY34 0.0521 503 N -13.4810 51.1510 4.4580 N.am 35 SER35 -0.2439 504 CA -12.2880 51.2260 5.2740 C.3 35 SER35 0.1111 505 C -11.7110 49.8350 5.5520 C.2 35 SER35 0.2236 506 O -12.4490 48.9390 5.9720 O.2 35 SER35 -0.2775 507 CB -12.6445 51.8650 6.6255 C.3 35 SER35 0.0681 508 OG -12.9912 53.2332 6.4524 O.3 35 SER35 -0.3930 509 H -14.3790 51.3540 4.8980 H 35 SER35 0.1312 510 HA -11.5928 51.8786 4.7522 H 35 SER35 0.0580 511 HB1 -11.7873 51.7854 7.3040 H 35 SER35 0.0577 512 HB2 -13.4816 51.3194 7.0757 H 35 SER35 0.0577 513 HG -13.1732 53.6558 7.2886 H 35 SER35 0.2095 514 N -10.4190 49.6000 5.2570 N.am 36 PRO36 -0.2315 515 CA -9.8540 48.2710 5.5630 C.3 36 PRO36 0.0907 516 C -9.8950 48.0320 7.0750 C.2 36 PRO36 0.2189 517 O -9.7180 48.9580 7.8630 O.2 36 PRO36 -0.2778 518 CB -8.4639 48.2953 4.9299 C.3 36 PRO36 -0.0276 519 CG -8.4378 49.5619 4.0650 C.3 36 PRO36 -0.0379 520 CD -9.4959 50.5147 4.6096 C.3 36 PRO36 0.0071 521 HA -10.4933 47.5480 5.0556 H 36 PRO36 0.0559 522 HB1 -8.2848 47.3995 4.3324 H 36 PRO36 0.0285 523 HB2 -7.6920 48.3171 5.6887 H 36 PRO36 0.0285 524 HG1 -8.7606 49.2932 3.0594 H 36 PRO36 0.0278 525 HG2 -7.4510 50.0178 3.9922 H 36 PRO36 0.0278 526 HD1 -9.1221 51.2068 5.3634 H 36 PRO36 0.0431 527 HD2 -9.9877 51.0444 3.7928 H 36 PRO36 0.0431 528 N -10.1810 46.8040 7.4670 N.am 37 LYS37 -0.2456 529 CA -10.3440 46.4270 8.8590 C.3 37 LYS37 0.0878 530 C -9.0660 46.4260 9.6910 C.2 37 LYS37 0.2187 531 O -9.1100 46.7930 10.8650 O.2 37 LYS37 -0.2778 532 CB -11.1609 45.1187 8.8736 C.3 37 LYS37 -0.0289 533 CG -12.6148 45.3476 9.3176 C.3 37 LYS37 -0.0496 534 CD -12.7565 45.9282 10.7378 C.3 37 LYS37 -0.0278 535 CE -12.1147 45.0413 11.8061 C.3 37 LYS37 0.1103 536 NZ -10.6553 45.0987 11.8647 N.4 37 LYS37 -0.0749 537 H -10.2930 46.0830 6.7550 H 37 LYS37 0.1312 538 HA -10.9490 47.2312 9.2758 H 37 LYS37 0.0557 539 HB1 -10.7036 44.3383 9.4708 H 37 LYS37 0.0285 540 HB2 -11.1763 44.6886 7.8699 H 37 LYS37 0.0285 541 HG1 -13.1570 44.4028 9.2565 H 37 LYS37 0.0266 542 HG2 -13.1035 46.0165 8.6072 H 37 LYS37 0.0266 543 HD1 -13.8225 46.0136 10.9538 H 37 LYS37 0.0282 544 HD2 -12.3675 46.9432 10.8066 H 37 LYS37 0.0282 545 HE1 -12.3995 44.0227 11.5746 H 37 LYS37 0.0559 546 HE2 -12.5010 45.2902 12.7956 H 37 LYS37 0.0559 547 HZ1 -10.2184 44.4519 12.5530 H 37 LYS37 0.2742 548 HZ2 -10.2909 46.0514 12.0514 H 37 LYS37 0.2742 549 HZ3 -10.2179 44.7812 10.9740 H 37 LYS37 0.2742 550 N -7.9390 45.9780 9.1080 N.am 38 ASP38 -0.2451 551 CA -6.6890 45.8340 9.8380 C.3 38 ASP38 0.0974 552 C -5.5150 45.7430 8.8650 C.2 38 ASP38 0.2192 553 O -5.7120 45.9050 7.6680 O.2 38 ASP38 -0.2778 554 CB -6.6758 44.5592 10.7442 C.3 38 ASP38 0.0576 555 CG -8.0151 44.2519 11.4376 C.2 38 ASP38 0.1780 556 OD1 -8.8600 43.6323 10.8138 O.co2 38 ASP38 -0.6478 557 OD2 -8.2572 44.6300 12.5825 O.co2 38 ASP38 -0.6478 558 H -7.9620 45.7310 8.1190 H 38 ASP38 0.1312 559 HA -6.5654 46.7257 10.4517 H 38 ASP38 0.0563 560 HB1 -5.9066 44.6360 11.5124 H 38 ASP38 0.0394 561 HB2 -6.4331 43.6729 10.1551 H 38 ASP38 0.0394 562 N -4.3320 45.3830 9.3790 N.am 39 ALA39 -0.2459 563 CA -3.1160 45.2260 8.5800 C.3 39 ALA39 0.0850 564 C -3.2570 44.1710 7.4440 C.2 39 ALA39 0.2185 565 O -2.8530 44.4590 6.3370 O.2 39 ALA39 -0.2778 566 CB -1.9637 44.8611 9.5181 C.3 39 ALA39 -0.0411 567 H -4.2750 45.2090 10.3820 H 39 ALA39 0.1312 568 HA -2.9231 46.1941 8.1169 H 39 ALA39 0.0554 569 HB1 -1.0036 44.9209 9.0083 H 39 ALA39 0.0249 570 HB2 -2.0828 43.8495 9.9028 H 39 ALA39 0.0249 571 HB3 -1.9201 45.5401 10.3696 H 39 ALA39 0.0249 572 N -3.8650 42.9960 7.7090 N.am 40 THR40 -0.2434 573 CA -4.0610 41.9630 6.6790 C.3 40 THR40 0.1135 574 C -4.9640 42.4950 5.5730 C.2 40 THR40 0.2212 575 O -4.7040 42.2900 4.3890 O.2 40 THR40 -0.2777 576 CB -4.6009 40.6846 7.3397 C.3 40 THR40 0.0763 577 OG1 -3.5540 40.2094 8.1711 O.3 40 THR40 -0.3900 578 CG2 -5.0061 39.5997 6.3264 C.3 40 THR40 -0.0370 579 H -4.2000 42.8170 8.6560 H 40 THR40 0.1313 580 HA -3.0834 41.7608 6.2391 H 40 THR40 0.0583 581 HB -5.4677 40.9592 7.9514 H 40 THR40 0.0611 582 HG1 -3.8377 39.4597 8.6816 H 40 THR40 0.2098 583 HG21 -5.3808 38.7040 6.8220 H 40 THR40 0.0255 584 HG22 -4.1574 39.3163 5.7067 H 40 THR40 0.0255 585 HG23 -5.7970 39.9461 5.6617 H 40 THR40 0.0255 586 N -5.9920 43.2210 5.9530 N.am 41 ASP41 -0.2450 587 CA -6.9120 43.7410 4.9550 C.3 41 ASP41 0.0974 588 C -6.2060 44.7940 4.1020 C.2 41 ASP41 0.2192 589 O -6.4350 44.8830 2.8960 O.2 41 ASP41 -0.2778 590 CB -8.1492 44.2751 5.6880 C.3 41 ASP41 0.0576 591 CG -9.4309 44.2182 4.8488 C.2 41 ASP41 0.1780 592 OD1 -9.6468 43.2621 4.1050 O.co2 41 ASP41 -0.6478 593 OD2 -10.2267 45.1373 4.9580 O.co2 41 ASP41 -0.6478 594 H -6.1430 43.4180 6.9420 H 41 ASP41 0.1312 595 HA -7.1822 42.9011 4.3106 H 41 ASP41 0.0563 596 HB1 -7.9887 45.2924 6.0457 H 41 ASP41 0.0394 597 HB2 -8.3463 43.6678 6.5699 H 41 ASP41 0.0394 598 N -5.3570 45.6110 4.7330 N.am 42 ARG42 -0.2456 599 CA -4.5770 46.6230 4.0090 C.3 42 ARG42 0.0879 600 C -3.6410 45.9580 3.0040 C.2 42 ARG42 0.2187 601 O -3.4150 46.5250 1.9450 O.2 42 ARG42 -0.2778 602 CB -3.8807 47.5527 5.0153 C.3 42 ARG42 -0.0258 603 CG -4.9230 48.3611 5.8108 C.3 42 ARG42 -0.0154 604 CD -4.3716 49.1334 7.0225 C.3 42 ARG42 0.1045 605 NE -5.2916 49.0444 8.1650 N.pl3 42 ARG42 -0.4450 606 CZ -6.5476 49.4896 8.1859 C.cat 42 ARG42 0.5062 607 NH1 -7.0538 50.1710 7.1962 N.pl3 42 ARG42 -0.4573 608 NH2 -7.3065 49.2383 9.2161 N.pl3 42 ARG42 -0.4573 609 H -5.2480 45.5290 5.7440 H 42 ARG42 0.1312 610 HA -5.2948 47.2014 3.4248 H 42 ARG42 0.0557 611 HB1 -3.2070 48.2359 4.4966 H 42 ARG42 0.0286 612 HB2 -3.2673 46.9562 5.6913 H 42 ARG42 0.0286 613 HG1 -5.6883 47.6769 6.1643 H 42 ARG42 0.0299 614 HG2 -5.4408 49.0457 5.1387 H 42 ARG42 0.0299 615 HD1 -4.1769 50.1845 6.7961 H 42 ARG42 0.0711 616 HD2 -3.4310 48.6922 7.3601 H 42 ARG42 0.0711 617 HE -4.9738 48.5922 8.9958 H 42 ARG42 0.3153 618 HH11 -8.0178 50.4344 7.2220 H 42 ARG42 0.3114 619 HH12 -6.4847 50.4149 6.4165 H 42 ARG42 0.3114 620 HH21 -8.2707 49.5037 9.1786 H 42 ARG42 0.3114 621 HH22 -6.9524 48.7795 10.0254 H 42 ARG42 0.3114 622 N -3.1550 44.7320 3.2880 N.am 43 CYS43 -0.2448 623 CA -2.3110 43.9770 2.3130 C.3 43 CYS43 0.0975 624 C -3.1590 43.7970 1.0290 C.2 43 CYS43 0.2195 625 O -2.6450 43.8660 -0.0750 O.2 43 CYS43 -0.2778 626 CB -1.9029 42.6056 2.8608 C.3 43 CYS43 0.0279 627 SG -0.8642 42.6473 4.3386 S.3 43 CYS43 -0.0910 628 H -3.3690 44.3100 4.1910 H 43 CYS43 0.1312 629 HA -1.4409 44.5920 2.0827 H 43 CYS43 0.0566 630 HB1 -2.7896 42.0246 3.0904 H 43 CYS43 0.0405 631 HB2 -1.3700 42.0455 2.0915 H 43 CYS43 0.0405 632 N -4.4630 43.5380 1.2040 N.am 44 CYS44 -0.2448 633 CA -5.3630 43.3090 0.0790 C.3 44 CYS44 0.0975 634 C -5.7130 44.5690 -0.6610 C.2 44 CYS44 0.2195 635 O -5.9040 44.5020 -1.8640 O.2 44 CYS44 -0.2778 636 CB -6.6240 42.5962 0.5814 C.3 44 CYS44 0.0279 637 SG -6.2288 41.0183 1.3796 S.3 44 CYS44 -0.0910 638 H -4.8370 43.5000 2.1520 H 44 CYS44 0.1312 639 HA -4.8418 42.6500 -0.6164 H 44 CYS44 0.0566 640 HB1 -7.1665 43.2203 1.2910 H 44 CYS44 0.0405 641 HB2 -7.3001 42.4053 -0.2505 H 44 CYS44 0.0405 642 N -5.7930 45.7140 0.0380 N.am 45 VAL45 -0.2454 643 CA -6.0570 46.9810 -0.6660 C.3 45 VAL45 0.0901 644 C -4.8960 47.1690 -1.6460 C.2 45 VAL45 0.2190 645 O -5.1180 47.4330 -2.8170 O.2 45 VAL45 -0.2778 646 CB -6.0425 48.1399 0.3475 C.3 45 VAL45 -0.0227 647 CG1 -6.1422 49.5172 -0.3289 C.3 45 VAL45 -0.0608 648 CG2 -7.1373 47.9925 1.4000 C.3 45 VAL45 -0.0608 649 H -5.6720 45.7060 1.0510 H 45 VAL45 0.1312 650 HA -7.0040 46.8978 -1.2026 H 45 VAL45 0.0560 651 HB -5.0929 48.1086 0.8832 H 45 VAL45 0.0315 652 HG11 -6.1782 50.3152 0.4123 H 45 VAL45 0.0233 653 HG12 -7.0393 49.5827 -0.9445 H 45 VAL45 0.0233 654 HG13 -5.2852 49.7177 -0.9720 H 45 VAL45 0.0233 655 HG21 -6.9189 48.6747 2.2155 H 45 VAL45 0.0233 656 HG22 -7.1911 46.9905 1.8218 H 45 VAL45 0.0233 657 HG23 -8.1154 48.2408 0.9900 H 45 VAL45 0.0233 658 N -3.6630 47.0380 -1.1440 N.am 46 THR46 -0.2434 659 CA -2.4430 47.2340 -1.9230 C.3 46 THR46 0.1135 660 C -2.4250 46.2470 -3.0760 C.2 46 THR46 0.2212 661 O -2.0910 46.6470 -4.1850 O.2 46 THR46 -0.2777 662 CB -1.2250 47.0474 -0.9999 C.3 46 THR46 0.0763 663 OG1 -1.3411 47.9927 0.0520 O.3 46 THR46 -0.3900 664 CG2 0.1106 47.2467 -1.7385 C.3 46 THR46 -0.0370 665 H -3.5690 46.7870 -0.1600 H 46 THR46 0.1313 666 HA -2.4762 48.2491 -2.3202 H 46 THR46 0.0583 667 HB -1.2703 46.0332 -0.5847 H 46 THR46 0.0611 668 HG1 -0.6464 47.8788 0.6916 H 46 THR46 0.2098 669 HG21 0.9650 47.0984 -1.0782 H 46 THR46 0.0255 670 HG22 0.1778 48.2531 -2.1521 H 46 THR46 0.0255 671 HG23 0.2203 46.5406 -2.5615 H 46 THR46 0.0255 672 N -2.7920 44.9640 -2.8130 N.am 47 HIS47 -0.2452 673 CA -2.7780 43.9100 -3.8470 C.3 47 HIS47 0.0932 674 C -3.7300 44.2320 -4.9690 C.2 47 HIS47 0.2191 675 O -3.3570 44.1580 -6.1400 O.2 47 HIS47 -0.2778 676 CB -3.0927 42.5566 -3.2012 C.3 47 HIS47 0.0146 677 CG -2.9008 41.4341 -4.1998 C.ar 47 HIS47 0.0551 678 ND1 -3.8983 40.6506 -4.6631 N.ar 47 HIS47 -0.2469 679 CD2 -1.7033 41.0249 -4.8091 C.ar 47 HIS47 0.0047 680 CE1 -3.3214 39.7896 -5.5203 C.ar 47 HIS47 0.0737 681 NE2 -1.9962 39.9829 -5.6140 N.ar 47 HIS47 -0.2539 682 H -3.0880 44.7210 -1.8670 H 47 HIS47 0.1312 683 HA -1.7669 43.9008 -4.2566 H 47 HIS47 0.0561 684 HB1 -4.1086 42.5503 -2.8140 H 47 HIS47 0.0348 685 HB2 -2.4337 42.3839 -2.3516 H 47 HIS47 0.0348 686 HD2 -0.7258 41.4521 -4.6535 H 47 HIS47 0.0764 687 HE1 -3.8452 39.0150 -6.0625 H 47 HIS47 0.0963 688 HE2 -1.3703 39.4605 -6.1665 H 47 HIS47 0.1339 689 N -4.9500 44.6460 -4.6190 N.am 48 ASP48 -0.2451 690 CA -5.9530 45.0480 -5.6210 C.3 48 ASP48 0.0974 691 C -5.4370 46.1920 -6.4820 C.2 48 ASP48 0.2192 692 O -5.6690 46.1960 -7.6950 O.2 48 ASP48 -0.2778 693 CB -7.2310 45.4880 -4.9070 C.3 48 ASP48 0.0576 694 CG -8.0730 44.3590 -4.2950 C.2 48 ASP48 0.1780 695 OD1 -7.6970 43.1660 -4.4540 O.co2 48 ASP48 -0.6478 696 OD2 -9.1010 44.6600 -3.6710 O.co2 48 ASP48 -0.6478 697 H -5.1950 44.6850 -3.6300 H 48 ASP48 0.1312 698 HA -6.1840 44.1750 -6.2750 H 48 ASP48 0.0563 699 HB1 -7.8590 46.1010 -5.5940 H 48 ASP48 0.0394 700 HB2 -6.9220 46.1540 -4.0680 H 48 ASP48 0.0394 701 N -4.7470 47.1750 -5.8710 N.am 49 CYS49 -0.2448 702 CA -4.2130 48.3550 -6.6040 C.3 49 CYS49 0.0975 703 C -3.1920 47.9060 -7.5930 C.2 49 CYS49 0.2195 704 O -3.1270 48.4140 -8.7100 O.2 49 CYS49 -0.2778 705 CB -3.6435 49.3883 -5.6235 C.3 49 CYS49 0.0279 706 SG -4.9211 50.3097 -4.7287 S.3 49 CYS49 -0.0910 707 H -4.5840 47.1080 -4.8660 H 49 CYS49 0.1312 708 HA -5.0456 48.7880 -7.1585 H 49 CYS49 0.0566 709 HB1 -2.9877 48.9045 -4.8999 H 49 CYS49 0.0405 710 HB2 -3.0325 50.1167 -6.1575 H 49 CYS49 0.0405 711 N -2.3520 46.9560 -7.1540 N.am 50 CYS50 -0.2448 712 CA -1.2720 46.3840 -7.9550 C.3 50 CYS50 0.0975 713 C -1.8750 45.7410 -9.2000 C.2 50 CYS50 0.2195 714 O -1.3940 45.9800 -10.2930 O.2 50 CYS50 -0.2778 715 CB -0.4799 45.3843 -7.0978 C.3 50 CYS50 0.0279 716 SG 1.1988 45.0585 -7.7001 S.3 50 CYS50 -0.0910 717 H -2.4750 46.6120 -6.2020 H 50 CYS50 0.1312 718 HA -0.6375 47.2182 -8.2539 H 50 CYS50 0.0566 719 HB1 -0.3870 45.7873 -6.0888 H 50 CYS50 0.0405 720 HB2 -1.0127 44.4387 -6.9878 H 50 CYS50 0.0405 721 N -2.9530 44.9550 -9.0350 N.am 51 TYR51 -0.2453 722 CA -3.6380 44.2840 -10.1340 C.3 51 TYR51 0.0917 723 C -4.3580 45.3060 -11.0070 C.2 51 TYR51 0.2190 724 O -4.4050 45.1400 -12.2250 O.2 51 TYR51 -0.2778 725 CB -4.6827 43.3123 -9.5387 C.3 51 TYR51 -0.0036 726 CG -4.1937 41.8960 -9.3658 C.ar 51 TYR51 -0.0453 727 CD1 -2.8996 41.6106 -8.9383 C.ar 51 TYR51 -0.0561 728 CD2 -5.0627 40.8370 -9.6166 C.ar 51 TYR51 -0.0561 729 CE1 -2.4761 40.2949 -8.8075 C.ar 51 TYR51 -0.0317 730 CE2 -4.6454 39.5210 -9.4635 C.ar 51 TYR51 -0.0317 731 CZ -3.3459 39.2467 -9.0744 C.ar 51 TYR51 0.0726 732 OH -2.9330 37.9338 -8.9646 O.3 51 TYR51 -0.3598 733 H -3.3120 44.8200 -8.0900 H 51 TYR51 0.1312 734 HA -2.8997 43.7671 -10.7486 H 51 TYR51 0.0560 735 HB1 -5.5663 43.2690 -10.1762 H 51 TYR51 0.0333 736 HB2 -5.0389 43.6791 -8.5753 H 51 TYR51 0.0333 737 HD1 -2.2052 42.4028 -8.7041 H 51 TYR51 0.0621 738 HD2 -6.0728 41.0381 -9.9412 H 51 TYR51 0.0621 739 HE1 -1.4663 40.0909 -8.4888 H 51 TYR51 0.0643 740 HE2 -5.3196 38.7021 -9.6570 H 51 TYR51 0.0643 741 HH -2.0851 37.9044 -8.5166 H 51 TYR51 0.2173 742 N -4.9130 46.3780 -10.3920 N.am 52 LYS52 -0.2456 743 CA -5.6050 47.4460 -11.1430 C.3 52 LYS52 0.0878 744 C -4.6720 48.0870 -12.1280 C.2 52 LYS52 0.2187 745 O -5.0510 48.3280 -13.2680 O.2 52 LYS52 -0.2778 746 CB -6.5423 48.2049 -10.1959 C.3 52 LYS52 -0.0289 747 CG -7.6784 47.2122 -9.8257 C.3 52 LYS52 -0.0496 748 CD -8.4313 47.4407 -8.5122 C.3 52 LYS52 -0.0278 749 CE -8.9896 46.1105 -7.9599 C.3 52 LYS52 0.1103 750 NZ -9.7141 45.2875 -8.9276 N.4 52 LYS52 -0.0749 751 H -4.8510 46.4500 -9.3770 H 52 LYS52 0.1312 752 HA -6.2688 46.8975 -11.8163 H 52 LYS52 0.0557 753 HB1 -6.9546 49.0959 -10.6696 H 52 LYS52 0.0285 754 HB2 -5.9905 48.5266 -9.3125 H 52 LYS52 0.0285 755 HG1 -7.2652 46.2056 -9.7605 H 52 LYS52 0.0266 756 HG2 -8.3897 47.1595 -10.6509 H 52 LYS52 0.0266 757 HD1 -9.2309 48.1662 -8.6644 H 52 LYS52 0.0282 758 HD2 -7.7605 47.8731 -7.7683 H 52 LYS52 0.0282 759 HE1 -9.6464 46.2937 -7.1072 H 52 LYS52 0.0559 760 HE2 -8.1681 45.4884 -7.6019 H 52 LYS52 0.0559 761 HZ1 -10.0943 44.4471 -8.4443 H 52 LYS52 0.2742 762 HZ2 -9.0668 44.9580 -9.6720 H 52 LYS52 0.2742 763 HZ3 -10.4992 45.8186 -9.3469 H 52 LYS52 0.2742 764 N -3.4360 48.3340 -11.6980 N.am 53 ARG53 -0.2457 765 CA -2.4130 48.9560 -12.5220 C.3 53 ARG53 0.0879 766 C -2.0350 48.0370 -13.6900 C.2 53 ARG53 0.2187 767 O -2.1000 48.4580 -14.8350 O.2 53 ARG53 -0.2778 768 CB -1.1880 49.1181 -11.5813 C.3 53 ARG53 -0.0258 769 CG 0.2040 49.2994 -12.2347 C.3 53 ARG53 -0.0154 770 CD 1.3734 48.9033 -11.3115 C.3 53 ARG53 0.1045 771 NE 1.3712 47.4527 -11.0462 N.pl3 53 ARG53 -0.4450 772 CZ 2.4534 46.6750 -10.9170 C.cat 53 ARG53 0.5062 773 NH1 3.6669 47.1421 -11.0516 N.pl3 53 ARG53 -0.4573 774 NH2 2.3062 45.4074 -10.6451 N.pl3 53 ARG53 -0.4573 775 H -3.1950 48.0730 -10.7420 H 53 ARG53 0.1312 776 HA -2.7887 49.9080 -12.8997 H 53 ARG53 0.0557 777 HB1 -1.1427 48.2366 -10.9466 H 53 ARG53 0.0286 778 HB2 -1.3755 49.9394 -10.8887 H 53 ARG53 0.0286 779 HG1 0.3128 50.3388 -12.5459 H 53 ARG53 0.0299 780 HG2 0.3105 48.7093 -13.1434 H 53 ARG53 0.0299 781 HD1 1.3062 49.4168 -10.3492 H 53 ARG53 0.0711 782 HD2 2.3161 49.1905 -11.7818 H 53 ARG53 0.0711 783 HE 0.4948 46.9772 -10.9403 H 53 ARG53 0.3153 784 HH11 4.4519 46.5321 -10.9557 H 53 ARG53 0.3114 785 HH12 3.8153 48.1059 -11.2500 H 53 ARG53 0.3114 786 HH21 3.0967 44.8042 -10.5435 H 53 ARG53 0.3114 787 HH22 1.3948 45.0157 -10.5250 H 53 ARG53 0.3114 788 N -1.7250 46.7520 -13.4080 N.am 54 LEU54 -0.2456 789 CA -1.3970 45.8110 -14.4730 C.3 54 LEU54 0.0880 790 C -2.5920 45.6630 -15.4710 C.2 54 LEU54 0.2187 791 O -2.3770 45.6770 -16.6860 O.2 54 LEU54 -0.2778 792 CB -1.1522 44.4377 -13.8199 C.3 54 LEU54 -0.0266 793 CG 0.1335 44.3671 -12.9904 C.3 54 LEU54 -0.0449 794 CD1 0.1875 43.0572 -12.1966 C.3 54 LEU54 -0.0626 795 CD2 1.3779 44.5043 -13.8755 C.3 54 LEU54 -0.0626 796 H -1.7200 46.4360 -12.4380 H 54 LEU54 0.1312 797 HA -0.5334 46.1882 -15.0189 H 54 LEU54 0.0557 798 HB1 -1.1246 43.6449 -14.5656 H 54 LEU54 0.0287 799 HB2 -2.0035 44.1990 -13.1791 H 54 LEU54 0.0287 800 HG 0.1246 45.1862 -12.2737 H 54 LEU54 0.0296 801 HD11 1.1023 43.0019 -11.6089 H 54 LEU54 0.0232 802 HD12 0.1665 42.1906 -12.8586 H 54 LEU54 0.0232 803 HD13 -0.6563 42.9715 -11.5107 H 54 LEU54 0.0232 804 HD21 2.2764 44.4184 -13.2736 H 54 LEU54 0.0232 805 HD22 1.4211 45.4689 -14.3792 H 54 LEU54 0.0232 806 HD23 1.4125 43.7225 -14.6354 H 54 LEU54 0.0232 807 N -3.8380 45.5960 -14.9450 N.am 55 GLU55 -0.2456 808 CA -5.0560 45.4680 -15.7710 C.3 55 GLU55 0.0883 809 C -5.1930 46.6800 -16.7040 C.2 55 GLU55 0.2187 810 O -5.4700 46.5130 -17.8890 O.2 55 GLU55 -0.2778 811 CB -6.2730 45.1289 -14.8733 C.3 55 GLU55 -0.0193 812 CG -6.1378 43.6845 -14.3368 C.3 55 GLU55 0.0356 813 CD -7.1912 43.1744 -13.3188 C.2 55 GLU55 0.1760 814 OE1 -8.3916 43.2538 -13.5557 O.co2 55 GLU55 -0.6478 815 OE2 -6.8252 42.6476 -12.2692 O.co2 55 GLU55 -0.6478 816 H -3.9400 45.6360 -13.9310 H 55 GLU55 0.1312 817 HA -4.8737 44.6173 -16.4312 H 55 GLU55 0.0557 818 HB1 -7.1994 45.2125 -15.4424 H 55 GLU55 0.0290 819 HB2 -6.3407 45.8393 -14.0492 H 55 GLU55 0.0290 820 HG1 -5.1624 43.5783 -13.8758 H 55 GLU55 0.0374 821 HG2 -6.1457 42.9908 -15.1767 H 55 GLU55 0.0374 822 N -4.9380 47.8880 -16.1770 N.am 56 LYS56 -0.2457 823 CA -5.0000 49.1130 -16.9790 C.3 56 LYS56 0.0878 824 C -3.9590 49.0710 -18.1000 C.2 56 LYS56 0.2187 825 O -4.2780 49.4220 -19.2390 O.2 56 LYS56 -0.2778 826 CB -4.8324 50.3496 -16.0860 C.3 56 LYS56 -0.0289 827 CG -4.9617 51.6511 -16.8924 C.3 56 LYS56 -0.0496 828 CD -5.0639 52.9056 -16.0183 C.3 56 LYS56 -0.0278 829 CE -5.1206 54.1880 -16.8595 C.3 56 LYS56 0.1103 830 NZ -6.2350 54.1916 -17.8117 N.4 56 LYS56 -0.0749 831 H -4.6940 47.9550 -15.1890 H 56 LYS56 0.1312 832 HA -5.9872 49.1193 -17.4442 H 56 LYS56 0.0557 833 HB1 -3.8715 50.3175 -15.5707 H 56 LYS56 0.0285 834 HB2 -5.5960 50.3206 -15.3078 H 56 LYS56 0.0285 835 HG1 -5.8449 51.5798 -17.5280 H 56 LYS56 0.0266 836 HG2 -4.1066 51.7454 -17.5633 H 56 LYS56 0.0266 837 HD1 -4.2054 52.9513 -15.3463 H 56 LYS56 0.0282 838 HD2 -5.9469 52.8371 -15.3812 H 56 LYS56 0.0282 839 HE1 -4.1924 54.3096 -17.4227 H 56 LYS56 0.0559 840 HE2 -5.2196 55.0613 -16.2109 H 56 LYS56 0.0559 841 HZ1 -6.2313 55.0750 -18.3622 H 56 LYS56 0.2742 842 HZ2 -7.1371 54.1081 -17.2994 H 56 LYS56 0.2742 843 HZ3 -6.1411 53.3841 -18.4630 H 56 LYS56 0.2742 844 N -2.7550 48.5280 -17.8080 N.am 57 ARG57 -0.2457 845 CA -1.7020 48.3830 -18.8060 C.3 57 ARG57 0.0879 846 C -2.0530 47.3350 -19.8650 C.2 57 ARG57 0.2185 847 O -1.5280 47.4160 -20.9580 O.2 57 ARG57 -0.2778 848 CB -0.3634 47.9396 -18.1170 C.3 57 ARG57 -0.0258 849 CG 0.9345 48.1633 -18.9570 C.3 57 ARG57 -0.0154 850 CD 1.9316 46.9728 -19.1185 C.3 57 ARG57 0.1045 851 NE 2.9921 46.8769 -18.0799 N.pl3 57 ARG57 -0.4450 852 CZ 4.2478 46.4006 -18.2711 C.cat 57 ARG57 0.5062 853 NH1 4.6704 46.0023 -19.4393 N.pl3 57 ARG57 -0.4573 854 NH2 5.1084 46.3149 -17.2850 N.pl3 57 ARG57 -0.4573 855 H -2.5770 48.2090 -16.8560 H 57 ARG57 0.1312 856 HA -1.5863 49.3528 -19.2919 H 57 ARG57 0.0557 857 HB1 -0.4348 46.8923 -17.8193 H 57 ARG57 0.0286 858 HB2 -0.2589 48.4872 -17.1798 H 57 ARG57 0.0286 859 HG1 1.4690 49.0386 -18.5871 H 57 ARG57 0.0299 860 HG2 0.6227 48.4449 -19.9635 H 57 ARG57 0.0299 861 HD1 2.4265 47.0881 -20.0852 H 57 ARG57 0.0711 862 HD2 1.3974 46.0219 -19.1542 H 57 ARG57 0.0711 863 HE 2.8035 47.1716 -17.1467 H 57 ARG57 0.3153 864 HH11 5.6160 45.6800 -19.5114 H 57 ARG57 0.3114 865 HH12 4.0745 46.0206 -20.2349 H 57 ARG57 0.3114 866 HH21 6.0514 45.9798 -17.4399 H 57 ARG57 0.3114 867 HH22 4.8685 46.5717 -16.3537 H 57 ARG57 0.3114 868 N -2.9340 46.3800 -19.5450 N.am 58 GLY58 -0.2485 869 CA -3.3060 45.3120 -20.4670 C.3 58 GLY58 0.0765 870 C -2.6020 44.0040 -20.1770 C.2 58 GLY58 0.2156 871 O -2.6650 43.0710 -20.9610 O.2 58 GLY58 -0.2781 872 H -3.3630 46.3990 -18.6200 H 58 GLY58 0.1309 873 HA1 -3.1137 45.6190 -21.4959 H 58 GLY58 0.0521 874 HA2 -4.3798 45.1648 -20.3523 H 58 GLY58 0.0521 875 N -1.9770 43.8990 -19.0100 N.am 59 CYS59 -0.2451 876 CA -1.3400 42.6640 -18.5720 C.3 59 CYS59 0.0975 877 C -2.4320 41.7110 -18.1130 C.2 59 CYS59 0.2193 878 O -3.4290 42.1520 -17.5160 O.2 59 CYS59 -0.2778 879 CB -0.4408 42.9842 -17.3711 C.3 59 CYS59 0.0279 880 SG 1.1099 43.8289 -17.7665 S.3 59 CYS59 -0.0910 881 H -1.9420 44.7140 -18.3970 H 59 CYS59 0.1312 882 HA -0.7868 42.2320 -19.4068 H 59 CYS59 0.0566 883 HB1 -0.9967 43.6022 -16.6718 H 59 CYS59 0.0405 884 HB2 -0.1913 42.0725 -16.8273 H 59 CYS59 0.0405 885 N -2.1640 40.4240 -18.2320 N.am 60 GLY60 -0.2484 886 CA -3.0070 39.4060 -17.6280 C.3 60 GLY60 0.0765 887 C -2.7640 39.4670 -16.1250 C.2 60 GLY60 0.2156 888 O -1.7380 40.0140 -15.6860 O.2 60 GLY60 -0.2781 889 H -1.3420 40.1360 -18.7630 H 60 GLY60 0.1309 890 HA1 -2.7252 38.4474 -18.0535 H 60 GLY60 0.0521 891 HA2 -4.0502 39.6244 -17.8645 H 60 GLY60 0.0521 892 N -3.7240 38.9870 -15.3180 N.am 61 THR61 -0.2436 893 CA -3.5760 38.9850 -13.8490 C.3 61 THR61 0.1135 894 C -3.9990 37.6270 -13.2450 C.2 61 THR61 0.2212 895 O -3.1500 36.7560 -13.0440 O.2 61 THR61 -0.2777 896 CB -4.2381 40.1981 -13.1691 C.3 61 THR61 0.0763 897 OG1 -5.6292 40.2499 -13.4583 O.3 61 THR61 -0.3900 898 CG2 -3.5032 41.5026 -13.5314 C.3 61 THR61 -0.0370 899 H -4.5790 38.6140 -15.7310 H 61 THR61 0.1312 900 HA -2.5095 39.0436 -13.6329 H 61 THR61 0.0583 901 HB -4.1128 40.0565 -12.0930 H 61 THR61 0.0611 902 HG1 -5.9681 41.0966 -13.1714 H 61 THR61 0.2098 903 HG21 -3.7781 42.3129 -12.8557 H 61 THR61 0.0255 904 HG22 -3.7140 41.8141 -14.5551 H 61 THR61 0.0255 905 HG23 -2.4238 41.3831 -13.4382 H 61 THR61 0.0255 906 N -5.2990 37.4650 -12.9370 N.am 62 LYS62 -0.2456 907 CA -5.8660 36.2510 -12.2960 C.3 62 LYS62 0.0878 908 C -5.5650 34.9690 -13.0610 C.2 62 LYS62 0.2187 909 O -5.3370 33.9230 -12.4350 O.2 62 LYS62 -0.2778 910 CB -7.3740 36.5471 -12.1664 C.3 62 LYS62 -0.0289 911 CG -7.6741 37.8106 -11.3153 C.3 62 LYS62 -0.0496 912 CD -8.9923 38.5176 -11.6820 C.3 62 LYS62 -0.0278 913 CE -8.8801 39.4838 -12.8833 C.3 62 LYS62 0.1103 914 NZ -8.5873 40.8763 -12.5325 N.4 62 LYS62 -0.0749 915 H -5.9380 38.2280 -13.1590 H 62 LYS62 0.1312 916 HA -5.3990 36.1856 -11.3124 H 62 LYS62 0.0557 917 HB1 -7.8960 35.6897 -11.7390 H 62 LYS62 0.0285 918 HB2 -7.7855 36.6802 -13.1679 H 62 LYS62 0.0285 919 HG1 -6.8752 38.5490 -11.3738 H 62 LYS62 0.0266 920 HG2 -7.7038 37.5127 -10.2665 H 62 LYS62 0.0266 921 HD1 -9.3663 39.0664 -10.8165 H 62 LYS62 0.0282 922 HD2 -9.7456 37.7568 -11.8919 H 62 LYS62 0.0282 923 HE1 -9.8299 39.4951 -13.4212 H 62 LYS62 0.0559 924 HE2 -8.1255 39.1440 -13.5954 H 62 LYS62 0.0559 925 HZ1 -8.5973 41.5036 -13.3689 H 62 LYS62 0.2742 926 HZ2 -7.6283 41.0074 -12.1441 H 62 LYS62 0.2742 927 HZ3 -9.2682 41.2726 -11.8617 H 62 LYS62 0.2742 928 N -5.5370 35.0470 -14.4040 N.am 63 PHE63 -0.2453 929 CA -5.2530 33.8710 -15.2270 C.3 63 PHE63 0.0917 930 C -3.8430 33.7760 -15.7980 C.2 63 PHE63 0.2190 931 O -3.5230 32.7450 -16.3820 O.2 63 PHE63 -0.2778 932 CB -6.2810 33.8484 -16.3720 C.3 63 PHE63 -0.0036 933 CG -7.6844 34.0307 -15.8525 C.ar 63 PHE63 -0.0454 934 CD1 -8.3175 33.0022 -15.1609 C.ar 63 PHE63 -0.0585 935 CD2 -8.3520 35.2417 -16.0204 C.ar 63 PHE63 -0.0585 936 CE1 -9.5922 33.1818 -14.6400 C.ar 63 PHE63 -0.0615 937 CE2 -9.6270 35.4235 -15.5010 C.ar 63 PHE63 -0.0615 938 CZ -10.2473 34.3935 -14.8081 C.ar 63 PHE63 -0.0617 939 H -5.7170 35.9430 -14.8570 H 63 PHE63 0.1312 940 HA -5.4071 32.9769 -14.6198 H 63 PHE63 0.0560 941 HB1 -6.2280 32.9042 -16.9163 H 63 PHE63 0.0333 942 HB2 -6.0652 34.6356 -17.0961 H 63 PHE63 0.0333 943 HD1 -7.8166 32.0551 -15.0216 H 63 PHE63 0.0620 944 HD2 -7.8798 36.0516 -16.5570 H 63 PHE63 0.0620 945 HE1 -10.0775 32.3749 -14.1097 H 63 PHE63 0.0618 946 HE2 -10.1409 36.3628 -15.6442 H 63 PHE63 0.0618 947 HZ -11.2430 34.5288 -14.4111 H 63 PHE63 0.0618 948 N -3.0090 34.8190 -15.6510 N.am 64 LEU64 -0.2456 949 CA -1.6580 34.8540 -16.2120 C.3 64 LEU64 0.0880 950 C -0.6290 34.0820 -15.3840 C.2 64 LEU64 0.2187 951 O -0.2450 34.5460 -14.3180 O.2 64 LEU64 -0.2778 952 CB -1.2349 36.3250 -16.3528 C.3 64 LEU64 -0.0266 953 CG 0.1799 36.5587 -16.9276 C.3 64 LEU64 -0.0449 954 CD1 0.3019 36.0131 -18.3565 C.3 64 LEU64 -0.0626 955 CD2 0.5545 38.0470 -16.8914 C.3 64 LEU64 -0.0626 956 H -3.3340 35.6280 -15.1210 H 64 LEU64 0.1312 957 HA -1.7191 34.3982 -17.2019 H 64 LEU64 0.0557 958 HB1 -1.3231 36.8102 -15.3829 H 64 LEU64 0.0287 959 HB2 -1.9633 36.8176 -16.9896 H 64 LEU64 0.0287 960 HG 0.9068 36.0405 -16.3014 H 64 LEU64 0.0296 961 HD11 1.2821 36.2318 -18.7788 H 64 LEU64 0.0232 962 HD12 -0.4455 36.4625 -19.0113 H 64 LEU64 0.0232 963 HD13 0.1651 34.9326 -18.3835 H 64 LEU64 0.0232 964 HD21 1.5654 38.2079 -17.2661 H 64 LEU64 0.0232 965 HD22 0.5182 38.4428 -15.8765 H 64 LEU64 0.0232 966 HD23 -0.1234 38.6409 -17.5036 H 64 LEU64 0.0232 967 N -0.1280 32.9470 -15.8780 N.am 65 SER65 -0.2436 968 CA 0.8760 32.2080 -15.0850 C.3 65 SER65 0.1109 969 C 2.2560 32.9030 -15.0820 C.2 65 SER65 0.2209 970 O 2.6030 33.6460 -16.0070 O.2 65 SER65 -0.2777 971 CB 1.0271 30.8201 -15.7256 C.3 65 SER65 0.0681 972 OG 1.4692 30.9490 -17.0775 O.3 65 SER65 -0.3930 973 H -0.4330 32.5970 -16.7860 H 65 SER65 0.1312 974 HA 0.5072 32.1141 -14.0628 H 65 SER65 0.0580 975 HB1 0.0570 30.3099 -15.6893 H 65 SER65 0.0577 976 HB2 1.7375 30.2164 -15.1492 H 65 SER65 0.0577 977 HG 1.5095 30.0910 -17.5004 H 65 SER65 0.2095 978 N 3.0190 32.7240 -13.9920 N.am 66 TYR66 -0.2453 979 CA 4.3610 33.2340 -13.8770 C.3 66 TYR66 0.0917 980 C 5.1130 32.1670 -13.0850 C.2 66 TYR66 0.2190 981 O 4.4880 31.3150 -12.4560 O.2 66 TYR66 -0.2778 982 CB 4.3889 34.6224 -13.2053 C.3 66 TYR66 -0.0036 983 CG 3.8377 34.5988 -11.8051 C.ar 66 TYR66 -0.0453 984 CD1 4.6373 34.1829 -10.7452 C.ar 66 TYR66 -0.0561 985 CD2 2.5307 34.9953 -11.5463 C.ar 66 TYR66 -0.0561 986 CE1 4.1218 34.0944 -9.4645 C.ar 66 TYR66 -0.0317 987 CE2 2.0206 34.9229 -10.2570 C.ar 66 TYR66 -0.0317 988 CZ 2.8072 34.4397 -9.2222 C.ar 66 TYR66 0.0726 989 OH 2.2846 34.2495 -7.9622 O.3 66 TYR66 -0.3598 990 H 2.6290 32.2020 -13.2070 H 66 TYR66 0.1312 991 HA 4.8015 33.2815 -14.8740 H 66 TYR66 0.0560 992 HB1 3.8216 35.3370 -13.8030 H 66 TYR66 0.0333 993 HB2 5.4098 35.0058 -13.1707 H 66 TYR66 0.0333 994 HD1 5.6700 33.9182 -10.9087 H 66 TYR66 0.0621 995 HD2 1.9106 35.3638 -12.3484 H 66 TYR66 0.0621 996 HE1 4.7416 33.7658 -8.6478 H 66 TYR66 0.0643 997 HE2 1.0089 35.2309 -10.0540 H 66 TYR66 0.0643 998 HH 1.6272 34.9199 -7.7870 H 66 TYR66 0.2173 999 N 6.4200 32.2710 -13.0480 N.am 67 LYS67 -0.2456 1000 CA 7.2140 31.3000 -12.2850 C.3 67 LYS67 0.0878 1001 C 7.8450 32.0810 -11.1770 C.2 67 LYS67 0.2187 1002 O 8.1100 33.2650 -11.3390 O.2 67 LYS67 -0.2778 1003 CB 8.3231 30.6775 -13.1563 C.3 67 LYS67 -0.0289 1004 CG 7.8292 29.6128 -14.1486 C.3 67 LYS67 -0.0496 1005 CD 9.0056 28.8870 -14.8282 C.3 67 LYS67 -0.0278 1006 CE 8.5710 27.7261 -15.7359 C.3 67 LYS67 0.1103 1007 NZ 9.7059 26.9892 -16.3046 N.4 67 LYS67 -0.0749 1008 H 6.8850 33.0270 -13.5500 H 67 LYS67 0.1312 1009 HA 6.5832 30.5241 -11.8467 H 67 LYS67 0.0557 1010 HB1 9.0588 30.2025 -12.5040 H 67 LYS67 0.0285 1011 HB2 8.8604 31.4625 -13.6909 H 67 LYS67 0.0285 1012 HG1 7.1827 30.0730 -14.8967 H 67 LYS67 0.0266 1013 HG2 7.2169 28.8854 -13.6138 H 67 LYS67 0.0266 1014 HD1 9.6730 28.5010 -14.0560 H 67 LYS67 0.0282 1015 HD2 9.5894 29.6075 -15.4029 H 67 LYS67 0.0282 1016 HE1 7.9572 28.0978 -16.5592 H 67 LYS67 0.0559 1017 HE2 7.9589 27.0177 -15.1730 H 67 LYS67 0.0559 1018 HZ1 9.3621 26.2131 -16.9078 H 67 LYS67 0.2742 1019 HZ2 10.2879 26.5886 -15.5398 H 67 LYS67 0.2742 1020 HZ3 10.2959 27.6282 -16.8768 H 67 LYS67 0.2742 1021 N 8.0790 31.4290 -10.0400 N.am 68 PHE68 -0.2453 1022 CA 8.7780 32.0210 -8.9130 C.3 68 PHE68 0.0917 1023 C 9.5880 30.9230 -8.2420 C.2 68 PHE68 0.2191 1024 O 9.3770 29.7370 -8.4910 O.2 68 PHE68 -0.2778 1025 CB 7.7791 32.6888 -7.9459 C.3 68 PHE68 -0.0036 1026 CG 6.8889 31.7299 -7.1864 C.ar 68 PHE68 -0.0454 1027 CD1 5.6706 31.3071 -7.7121 C.ar 68 PHE68 -0.0585 1028 CD2 7.2321 31.3313 -5.8976 C.ar 68 PHE68 -0.0585 1029 CE1 4.7848 30.5629 -6.9409 C.ar 68 PHE68 -0.0615 1030 CE2 6.3605 30.5719 -5.1302 C.ar 68 PHE68 -0.0615 1031 CZ 5.1237 30.2078 -5.6422 C.ar 68 PHE68 -0.0617 1032 H 7.7510 30.4670 -9.9560 H 68 PHE68 0.1312 1033 HA 9.4794 32.7622 -9.3014 H 68 PHE68 0.0560 1034 HB1 7.1522 33.3883 -8.4990 H 68 PHE68 0.0333 1035 HB2 8.3229 33.2983 -7.2226 H 68 PHE68 0.0333 1036 HD1 5.3858 31.6036 -8.7103 H 68 PHE68 0.0620 1037 HD2 8.1724 31.6453 -5.4708 H 68 PHE68 0.0620 1038 HE1 3.8146 30.3021 -7.3373 H 68 PHE68 0.0618 1039 HE2 6.6331 30.3108 -4.1183 H 68 PHE68 0.0618 1040 HZ 4.4208 29.6751 -5.0191 H 68 PHE68 0.0618 1041 N 10.4320 31.3260 -7.3330 N.am 69 SER69 -0.2436 1042 CA 11.2150 30.4240 -6.4910 C.3 69 SER69 0.1109 1043 C 11.1500 30.9530 -5.0630 C.2 69 SER69 0.2209 1044 O 10.5900 32.0350 -4.8000 O.2 69 SER69 -0.2777 1045 CB 12.6682 30.3734 -6.9881 C.3 69 SER69 0.0681 1046 OG 13.2664 31.6683 -6.9728 O.3 69 SER69 -0.3930 1047 H 10.5530 32.3300 -7.2020 H 69 SER69 0.1312 1048 HA 10.7607 29.4319 -6.5049 H 69 SER69 0.0580 1049 HB1 12.6718 29.9771 -8.0087 H 69 SER69 0.0577 1050 HB2 13.2407 29.6762 -6.3644 H 69 SER69 0.0577 1051 HG 14.1859 31.6184 -7.2243 H 69 SER69 0.2095 1052 N 11.6210 30.1370 -4.1070 N.am 70 ASN70 -0.2451 1053 CA 11.5680 30.6000 -2.7360 C.3 70 ASN70 0.0957 1054 C 12.7520 30.0040 -2.0140 C.2 70 ASN70 0.2192 1055 O 13.2950 28.9960 -2.4640 O.2 70 ASN70 -0.2778 1056 CB 10.2126 30.2857 -2.0753 C.3 70 ASN70 0.0446 1057 CG 9.8629 28.7907 -2.0908 C.2 70 ASN70 0.2000 1058 OD1 9.3137 28.2651 -3.0515 O.2 70 ASN70 -0.2797 1059 ND2 10.2080 28.1453 -0.9666 N.am 70 ASN70 -0.2723 1060 H 12.0040 29.2200 -4.3390 H 70 ASN70 0.1312 1061 HA 11.7375 31.6762 -2.7458 H 70 ASN70 0.0562 1062 HB1 9.4201 30.8093 -2.6081 H 70 ASN70 0.0375 1063 HB2 10.1913 30.6484 -1.0471 H 70 ASN70 0.0375 1064 HD21 10.0380 27.1643 -0.8857 H 70 ASN70 0.1266 1065 HD22 10.6332 28.6310 -0.2026 H 70 ASN70 0.1266 1066 N 13.1130 30.6090 -0.8820 N.am 71 SER71 -0.2436 1067 CA 14.1560 30.1090 0.0310 C.3 71 SER71 0.1109 1068 C 13.4520 30.2870 1.3370 C.2 71 SER71 0.2207 1069 O 13.2720 31.4190 1.7580 O.2 71 SER71 -0.2777 1070 CB 15.4287 30.9575 -0.0757 C.3 71 SER71 0.0681 1071 OG 16.3197 30.6416 0.9883 O.3 71 SER71 -0.3930 1072 H 12.6360 31.4750 -0.6310 H 71 SER71 0.1312 1073 HA 14.3443 29.0508 -0.1596 H 71 SER71 0.0580 1074 HB1 15.1711 32.0207 -0.0369 H 71 SER71 0.0577 1075 HB2 15.8938 30.7617 -1.0490 H 71 SER71 0.0577 1076 HG 17.1700 31.0583 0.8641 H 71 SER71 0.2095 1077 N 12.8890 29.2050 1.8760 N.am 72 GLY72 -0.2484 1078 CA 12.0280 29.3200 3.0400 C.3 72 GLY72 0.0765 1079 C 10.8630 30.2410 2.6760 C.2 72 GLY72 0.2156 1080 O 10.3150 30.1390 1.5840 O.2 72 GLY72 -0.2781 1081 H 13.0650 28.2870 1.4670 H 72 GLY72 0.1309 1082 HA1 12.6111 29.7137 3.8726 H 72 GLY72 0.0521 1083 HA2 11.6575 28.3235 3.2801 H 72 GLY72 0.0521 1084 N 10.5360 31.1930 3.5290 N.am 73 SER73 -0.2439 1085 CA 9.4330 32.1150 3.2470 C.3 73 SER73 0.1109 1086 C 9.8460 33.3110 2.3920 C.2 73 SER73 0.2209 1087 O 9.0190 34.1560 2.1040 O.2 73 SER73 -0.2777 1088 CB 8.8642 32.6444 4.5741 C.3 73 SER73 0.0681 1089 OG 8.6120 31.5659 5.4638 O.3 73 SER73 -0.3930 1090 H 11.0600 31.2890 4.3990 H 73 SER73 0.1312 1091 HA 8.6507 31.5617 2.7217 H 73 SER73 0.0580 1092 HB1 7.9476 33.2119 4.3737 H 73 SER73 0.0577 1093 HB2 9.5809 33.3258 5.0425 H 73 SER73 0.0577 1094 HG 8.1090 31.8416 6.2257 H 73 SER73 0.2095 1095 N 11.0810 33.3440 1.8900 N.am 74 ARG74 -0.2456 1096 CA 11.5390 34.4610 1.0360 C.3 74 ARG74 0.0879 1097 C 11.2720 34.1220 -0.4240 C.2 74 ARG74 0.2187 1098 O 11.7070 33.0770 -0.8850 O.2 74 ARG74 -0.2778 1099 CB 13.0606 34.6887 1.2011 C.3 74 ARG74 -0.0258 1100 CG 13.6344 34.5338 2.6193 C.3 74 ARG74 -0.0154 1101 CD 12.9431 35.3750 3.7008 C.3 74 ARG74 0.1045 1102 NE 13.7574 35.4405 4.9206 N.pl3 74 ARG74 -0.4450 1103 CZ 14.0424 34.4108 5.7182 C.cat 74 ARG74 0.5062 1104 NH1 13.6158 33.2030 5.4601 N.pl3 74 ARG74 -0.4573 1105 NH2 14.7682 34.6108 6.7858 N.pl3 74 ARG74 -0.4573 1106 H 11.7250 32.5810 2.1000 H 74 ARG74 0.1312 1107 HA 10.9885 35.3614 1.3149 H 74 ARG74 0.0557 1108 HB1 13.3108 35.6777 0.8152 H 74 ARG74 0.0286 1109 HB2 13.6143 33.9851 0.5752 H 74 ARG74 0.0286 1110 HG1 14.6904 34.8045 2.5835 H 74 ARG74 0.0299 1111 HG2 13.6152 33.4844 2.9004 H 74 ARG74 0.0299 1112 HD1 11.9524 34.9920 3.9569 H 74 ARG74 0.0711 1113 HD2 12.8174 36.4040 3.3570 H 74 ARG74 0.0711 1114 HE 14.1429 36.3225 5.1899 H 74 ARG74 0.3153 1115 HH11 13.8251 32.4482 6.0777 H 74 ARG74 0.3114 1116 HH12 13.0837 33.0409 4.6330 H 74 ARG74 0.3114 1117 HH21 14.9921 33.8503 7.3916 H 74 ARG74 0.3114 1118 HH22 15.1059 35.5241 7.0030 H 74 ARG74 0.3114 1119 N 10.4600 34.9390 -1.1250 N.am 75 ILE75 -0.2454 1120 CA 10.0290 34.6350 -2.5230 C.3 75 ILE75 0.0903 1121 C 10.8680 35.4260 -3.5130 C.2 75 ILE75 0.2190 1122 O 11.1590 36.5930 -3.2520 O.2 75 ILE75 -0.2778 1123 CB 8.5243 34.9753 -2.6589 C.3 75 ILE75 -0.0201 1124 CG1 7.6550 34.3703 -1.5327 C.3 75 ILE75 -0.0514 1125 CG2 7.9638 34.5942 -4.0384 C.3 75 ILE75 -0.0605 1126 CD1 7.7504 32.8447 -1.4068 C.3 75 ILE75 -0.0650 1127 H 10.1280 35.7970 -0.6840 H 75 ILE75 0.1312 1128 HA 10.1809 33.5703 -2.7080 H 75 ILE75 0.0560 1129 HB 8.4193 36.0563 -2.5635 H 75 ILE75 0.0318 1130 HG11 6.6124 34.6433 -1.7032 H 75 ILE75 0.0266 1131 HG12 7.9148 34.8195 -0.5737 H 75 ILE75 0.0266 1132 HG21 6.8890 34.7684 -4.0828 H 75 ILE75 0.0233 1133 HG22 8.1385 33.5419 -4.2531 H 75 ILE75 0.0233 1134 HG23 8.4205 35.1773 -4.8383 H 75 ILE75 0.0233 1135 HD11 7.0669 32.4769 -0.6410 H 75 ILE75 0.0230 1136 HD12 8.7548 32.5372 -1.1193 H 75 ILE75 0.0230 1137 HD13 7.4932 32.3481 -2.3424 H 75 ILE75 0.0230 1138 N 11.2030 34.8360 -4.6610 N.am 76 SER76 -0.2436 1139 CA 11.8600 35.5890 -5.7270 C.3 76 SER76 0.1109 1140 C 11.1610 35.3290 -7.0700 C.2 76 SER76 0.2209 1141 O 10.7890 34.2010 -7.3860 O.2 76 SER76 -0.2777 1142 CB 13.3255 35.1339 -5.8469 C.3 76 SER76 0.0681 1143 OG 13.9272 35.5507 -7.0716 O.3 76 SER76 -0.3930 1144 H 10.9980 33.8460 -4.7970 H 76 SER76 0.1312 1145 HA 11.8052 36.6593 -5.5206 H 76 SER76 0.0580 1146 HB1 13.4019 34.0442 -5.7329 H 76 SER76 0.0577 1147 HB2 13.9040 35.5532 -5.0222 H 76 SER76 0.0577 1148 HG 13.4708 35.1043 -7.7864 H 76 SER76 0.2095 1149 N 10.9120 36.3980 -7.7980 N.am 77 CYS77 -0.2448 1150 CA 10.2760 36.4030 -9.1040 C.3 77 CYS77 0.0975 1151 C 11.3590 36.4310 -10.1650 C.2 77 CYS77 0.2195 1152 O 12.5080 36.7190 -9.8420 O.2 77 CYS77 -0.2778 1153 CB 9.3961 37.6565 -9.1868 C.3 77 CYS77 0.0279 1154 SG 8.0150 37.5568 -8.0265 S.3 77 CYS77 -0.0910 1155 H 11.1900 37.3000 -7.4120 H 77 CYS77 0.1312 1156 HA 9.6761 35.4975 -9.2170 H 77 CYS77 0.0566 1157 HB1 9.9756 38.5537 -8.9659 H 77 CYS77 0.0405 1158 HB2 8.9919 37.7875 -10.1912 H 77 CYS77 0.0405 1159 N 10.9950 36.1690 -11.4440 N.am 78 ALA78 -0.2459 1160 CA 11.9020 36.2470 -12.5930 C.3 78 ALA78 0.0850 1161 C 12.4210 37.6810 -12.7430 C.2 78 ALA78 0.2184 1162 O 11.6810 38.6450 -12.4940 O.2 78 ALA78 -0.2778 1163 CB 11.1446 35.8254 -13.8573 C.3 78 ALA78 -0.0411 1164 H 10.0270 35.9000 -11.6180 H 78 ALA78 0.1312 1165 HA 12.7353 35.5722 -12.3940 H 78 ALA78 0.0554 1166 HB1 11.7904 35.8535 -14.7359 H 78 ALA78 0.0249 1167 HB2 10.2948 36.4831 -14.0472 H 78 ALA78 0.0249 1168 HB3 10.7613 34.8098 -13.7590 H 78 ALA78 0.0249 1169 N 13.7160 37.8120 -13.1200 N.am 79 LYS79 -0.2457 1170 CA 14.4280 39.0910 -13.2940 C.3 79 LYS79 0.0878 1171 C 13.8810 39.9480 -14.4440 C.2 79 LYS79 0.2187 1172 O 13.6840 41.1490 -14.2520 O.2 79 LYS79 -0.2778 1173 CB 15.9470 38.8657 -13.2575 C.3 79 LYS79 -0.0289 1174 CG 16.3702 37.9322 -12.0982 C.3 79 LYS79 -0.0496 1175 CD 15.7727 38.3204 -10.7276 C.3 79 LYS79 -0.0278 1176 CE 15.8860 37.2226 -9.6653 C.3 79 LYS79 0.1103 1177 NZ 14.9147 37.4407 -8.5917 N.4 79 LYS79 -0.0749 1178 H 14.2410 36.9560 -13.2980 H 79 LYS79 0.1312 1179 HA 14.1586 39.6854 -12.4211 H 79 LYS79 0.0557 1180 HB1 16.4504 39.8284 -13.1591 H 79 LYS79 0.0285 1181 HB2 16.2818 38.4394 -14.2041 H 79 LYS79 0.0285 1182 HG1 17.4585 37.9058 -12.0312 H 79 LYS79 0.0266 1183 HG2 16.0691 36.9134 -12.3453 H 79 LYS79 0.0266 1184 HD1 14.7092 38.5235 -10.8240 H 79 LYS79 0.0282 1185 HD2 16.2219 39.2488 -10.3726 H 79 LYS79 0.0282 1186 HE1 16.8911 37.1875 -9.2399 H 79 LYS79 0.0559 1187 HE2 15.6762 36.2432 -10.1010 H 79 LYS79 0.0559 1188 HZ1 14.9992 36.6941 -7.8702 H 79 LYS79 0.2742 1189 HZ2 13.9484 37.4074 -8.9836 H 79 LYS79 0.2742 1190 HZ3 15.0686 38.3699 -8.1527 H 79 LYS79 0.2742 1191 N 13.6830 39.3540 -15.6460 N.am 80 GLN80 -0.2456 1192 CA 13.2740 40.1430 -16.8130 C.3 80 GLN80 0.0882 1193 C 11.8530 40.7020 -16.7000 C.2 80 GLN80 0.2187 1194 O 10.9190 39.9860 -16.3260 O.2 80 GLN80 -0.2778 1195 CB 13.3878 39.2401 -18.0551 C.3 80 GLN80 -0.0210 1196 CG 12.3684 38.0804 -18.0680 C.3 80 GLN80 0.0225 1197 CD 12.7236 37.0032 -19.0976 C.2 80 GLN80 0.1981 1198 OE1 12.9417 35.8472 -18.7615 O.2 80 GLN80 -0.2798 1199 NE2 12.7659 37.4470 -20.3624 N.am 80 GLN80 -0.2724 1200 H 13.8200 38.3480 -15.7400 H 80 GLN80 0.1312 1201 HA 13.9779 40.9737 -16.8937 H 80 GLN80 0.0557 1202 HB1 14.4025 38.8409 -18.0924 H 80 GLN80 0.0289 1203 HB2 13.2682 39.8418 -18.9573 H 80 GLN80 0.0289 1204 HG1 11.3661 38.4466 -18.2904 H 80 GLN80 0.0356 1205 HG2 12.3194 37.5944 -17.0941 H 80 GLN80 0.0356 1206 HE21 12.9958 36.8087 -21.0962 H 80 GLN80 0.1266 1207 HE22 12.5733 38.4022 -20.5841 H 80 GLN80 0.1266 1208 N 11.7310 42.0170 -16.9840 N.am 81 ASP81 -0.2451 1209 CA 10.4840 42.7540 -16.8880 C.3 81 ASP81 0.0974 1210 C 9.4870 42.3410 -17.9430 C.2 81 ASP81 0.2193 1211 O 9.7920 42.2270 -19.1360 O.2 81 ASP81 -0.2778 1212 CB 10.4762 44.3107 -16.8928 C.3 81 ASP81 0.0576 1213 CG 9.0318 44.8770 -16.5729 C.2 81 ASP81 0.1780 1214 OD1 8.2674 45.2568 -17.4751 O.co2 81 ASP81 -0.6478 1215 OD2 8.6659 44.9215 -15.4041 O.co2 81 ASP81 -0.6478 1216 H 12.5650 42.5220 -17.2840 H 81 ASP81 0.1312 1217 HA 10.0870 42.4598 -15.9153 H 81 ASP81 0.0563 1218 HB1 10.8070 44.7073 -17.8523 H 81 ASP81 0.0394 1219 HB2 11.1612 44.6899 -16.1358 H 81 ASP81 0.0394 1220 N 8.2870 42.0920 -17.4630 N.am 82 SER82 -0.2436 1221 CA 7.1500 41.7210 -18.2550 C.3 82 SER82 0.1109 1222 C 5.9450 41.8640 -17.3380 C.2 82 SER82 0.2209 1223 O 6.0870 42.1580 -16.1390 O.2 82 SER82 -0.2777 1224 CB 7.2986 40.2644 -18.7362 C.3 82 SER82 0.0681 1225 OG 7.2370 39.3220 -17.6764 O.3 82 SER82 -0.3930 1226 H 8.1560 42.1680 -16.4540 H 82 SER82 0.1312 1227 HA 7.0772 42.4323 -19.0785 H 82 SER82 0.0580 1228 HB1 8.2322 40.1337 -19.2939 H 82 SER82 0.0577 1229 HB2 6.4990 40.0208 -19.4358 H 82 SER82 0.0577 1230 HG 7.8675 39.5871 -17.0047 H 82 SER82 0.2095 1231 N 4.7690 41.5980 -17.8960 N.am 83 CYS83 -0.2448 1232 CA 3.5260 41.5090 -17.1610 C.3 83 CYS83 0.0975 1233 C 3.6510 40.3920 -16.1640 C.2 83 CYS83 0.2195 1234 O 3.1710 40.5420 -15.0510 O.2 83 CYS83 -0.2778 1235 CB 2.3937 41.1870 -18.1426 C.3 83 CYS83 0.0279 1236 SG 1.9077 42.5909 -19.1696 S.3 83 CYS83 -0.0910 1237 H 4.7410 41.4470 -18.9040 H 83 CYS83 0.1312 1238 HA 3.3662 42.4510 -16.6343 H 83 CYS83 0.0566 1239 HB1 2.6828 40.3622 -18.7949 H 83 CYS83 0.0405 1240 HB2 1.5086 40.8491 -17.6028 H 83 CYS83 0.0405 1241 N 4.2520 39.2470 -16.5860 N.am 84 ARG84 -0.2456 1242 CA 4.4060 38.0310 -15.7690 C.3 84 ARG84 0.0879 1243 C 5.2220 38.3110 -14.5210 C.2 84 ARG84 0.2187 1244 O 4.7840 37.9820 -13.4120 O.2 84 ARG84 -0.2778 1245 CB 5.0014 36.8771 -16.5929 C.3 84 ARG84 -0.0258 1246 CG 4.0792 36.4044 -17.7304 C.3 84 ARG84 -0.0154 1247 CD 4.6741 35.2143 -18.4970 C.3 84 ARG84 0.1045 1248 NE 3.8872 34.8922 -19.6938 N.pl3 84 ARG84 -0.4450 1249 CZ 2.9315 33.9658 -19.7784 C.cat 84 ARG84 0.5062 1250 NH1 2.5409 33.2804 -18.7373 N.pl3 84 ARG84 -0.4573 1251 NH2 2.3694 33.7339 -20.9346 N.pl3 84 ARG84 -0.4573 1252 H 4.6230 39.2290 -17.5360 H 84 ARG84 0.1312 1253 HA 3.4022 37.7643 -15.4340 H 84 ARG84 0.0557 1254 HB1 5.1993 36.0309 -15.9328 H 84 ARG84 0.0286 1255 HB2 5.9672 37.1782 -17.0011 H 84 ARG84 0.0286 1256 HG1 3.8987 37.2288 -18.4210 H 84 ARG84 0.0299 1257 HG2 3.1100 36.1228 -17.3194 H 84 ARG84 0.0299 1258 HD1 4.7736 34.3299 -17.8634 H 84 ARG84 0.0711 1259 HD2 5.6780 35.4639 -18.8505 H 84 ARG84 0.0711 1260 HE 4.0861 35.3974 -20.5333 H 84 ARG84 0.3153 1261 HH11 1.8679 32.5480 -18.8204 H 84 ARG84 0.3114 1262 HH12 2.9170 33.4887 -17.8362 H 84 ARG84 0.3114 1263 HH21 1.6525 33.0449 -21.0178 H 84 ARG84 0.3114 1264 HH22 2.6550 34.2423 -21.7442 H 84 ARG84 0.3114 1265 N 6.3730 38.9440 -14.6760 N.am 85 SER85 -0.2436 1266 CA 7.2240 39.2610 -13.5380 C.3 85 SER85 0.1109 1267 C 6.6220 40.3630 -12.6340 C.2 85 SER85 0.2209 1268 O 6.7640 40.2710 -11.4150 O.2 85 SER85 -0.2777 1269 CB 8.5858 39.7211 -14.0679 C.3 85 SER85 0.0681 1270 OG 8.4097 40.7157 -15.0556 O.3 85 SER85 -0.3930 1271 H 6.6710 39.2160 -15.6130 H 85 SER85 0.1312 1272 HA 7.3417 38.3562 -12.9404 H 85 SER85 0.0580 1273 HB1 9.0988 38.8853 -14.5454 H 85 SER85 0.0577 1274 HB2 9.2558 40.0704 -13.2733 H 85 SER85 0.0577 1275 HG 8.0184 41.4984 -14.6724 H 85 SER85 0.2095 1276 N 5.9550 41.3870 -13.2150 N.am 86 GLN86 -0.2456 1277 CA 5.3080 42.4470 -12.4020 C.3 86 GLN86 0.0882 1278 C 4.1170 41.8440 -11.6240 C.2 86 GLN86 0.2187 1279 O 3.8590 42.2000 -10.4650 O.2 86 GLN86 -0.2778 1280 CB 4.8619 43.6509 -13.2390 C.3 86 GLN86 -0.0210 1281 CG 6.0214 44.4839 -13.8095 C.3 86 GLN86 0.0225 1282 CD 5.5373 45.8852 -14.2299 C.2 86 GLN86 0.1981 1283 OE1 4.3476 46.1864 -14.2711 O.2 86 GLN86 -0.2798 1284 NE2 6.5326 46.7280 -14.5302 N.am 86 GLN86 -0.2724 1285 H 5.8960 41.4320 -14.2320 H 86 GLN86 0.1312 1286 HA 6.0481 42.7677 -11.6665 H 86 GLN86 0.0557 1287 HB1 4.2822 44.2937 -12.5768 H 86 GLN86 0.0289 1288 HB2 4.1979 43.3293 -14.0429 H 86 GLN86 0.0289 1289 HG1 6.4712 43.9918 -14.6684 H 86 GLN86 0.0356 1290 HG2 6.8117 44.6078 -13.0684 H 86 GLN86 0.0356 1291 HE21 6.4002 47.6940 -14.7403 H 86 GLN86 0.1266 1292 HE22 7.4715 46.3706 -14.5618 H 86 GLN86 0.1266 1293 N 3.4360 40.8720 -12.2440 N.am 87 LEU87 -0.2456 1294 CA 2.3570 40.1890 -11.5560 C.3 87 LEU87 0.0880 1295 C 2.9300 39.3670 -10.3720 C.2 87 LEU87 0.2187 1296 O 2.3440 39.3200 -9.2800 O.2 87 LEU87 -0.2778 1297 CB 1.6533 39.2882 -12.5835 C.3 87 LEU87 -0.0266 1298 CG 0.5874 38.3429 -12.0072 C.3 87 LEU87 -0.0449 1299 CD1 -0.5307 39.1097 -11.2949 C.3 87 LEU87 -0.0626 1300 CD2 0.0143 37.4645 -13.1198 C.3 87 LEU87 -0.0626 1301 H 3.6760 40.6120 -13.2010 H 87 LEU87 0.1312 1302 HA 1.6717 40.9319 -11.1511 H 87 LEU87 0.0557 1303 HB1 2.4033 38.6893 -13.0996 H 87 LEU87 0.0287 1304 HB2 1.1999 39.9182 -13.3495 H 87 LEU87 0.0287 1305 HG 1.0564 37.6838 -11.2754 H 87 LEU87 0.0296 1306 HD11 -1.3022 38.4247 -10.9444 H 87 LEU87 0.0232 1307 HD12 -1.0018 39.8404 -11.9522 H 87 LEU87 0.0232 1308 HD13 -0.1468 39.6384 -10.4225 H 87 LEU87 0.0232 1309 HD21 -0.6801 36.7282 -12.7187 H 87 LEU87 0.0232 1310 HD22 0.8012 36.9327 -13.6543 H 87 LEU87 0.0232 1311 HD23 -0.5191 38.0803 -13.8413 H 87 LEU87 0.0232 1312 N 4.0350 38.6710 -10.6320 N.am 88 CYS88 -0.2448 1313 CA 4.6850 37.8860 -9.5820 C.3 88 CYS88 0.0975 1314 C 4.9960 38.8360 -8.3990 C.2 88 CYS88 0.2195 1315 O 4.7310 38.5020 -7.2460 O.2 88 CYS88 -0.2778 1316 CB 5.9580 37.2525 -10.1447 C.3 88 CYS88 0.0279 1317 SG 6.8406 36.1927 -8.9727 S.3 88 CYS88 -0.0910 1318 H 4.4320 38.6850 -11.5720 H 88 CYS88 0.1312 1319 HA 3.9735 37.1305 -9.2467 H 88 CYS88 0.0566 1320 HB1 5.7113 36.6703 -11.0297 H 88 CYS88 0.0405 1321 HB2 6.6413 38.0268 -10.4879 H 88 CYS88 0.0405 1322 N 5.5350 40.0410 -8.7120 N.am 89 GLU89 -0.2456 1323 CA 5.8900 41.0270 -7.7120 C.3 89 GLU89 0.0883 1324 C 4.6710 41.4660 -6.8880 C.2 89 GLU89 0.2187 1325 O 4.7810 41.6150 -5.6690 O.2 89 GLU89 -0.2778 1326 CB 6.6763 42.1710 -8.3689 C.3 89 GLU89 -0.0193 1327 CG 8.1192 41.7570 -8.7525 C.3 89 GLU89 0.0356 1328 CD 9.0584 41.6476 -7.5290 C.2 89 GLU89 0.1760 1329 OE1 9.0263 42.5266 -6.6734 O.co2 89 GLU89 -0.6478 1330 OE2 9.8308 40.6926 -7.4085 O.co2 89 GLU89 -0.6478 1331 H 5.6970 40.2620 -9.6940 H 89 GLU89 0.1312 1332 HA 6.5566 40.5142 -7.0196 H 89 GLU89 0.0557 1333 HB1 6.7112 43.0372 -7.7070 H 89 GLU89 0.0290 1334 HB2 6.1447 42.4990 -9.2611 H 89 GLU89 0.0290 1335 HG1 8.5502 42.5008 -9.4212 H 89 GLU89 0.0374 1336 HG2 8.1241 40.8098 -9.2912 H 89 GLU89 0.0374 1337 N 3.5000 41.6090 -7.5400 N.am 90 CYS90 -0.2448 1338 CA 2.2400 41.9830 -6.8610 C.3 90 CYS90 0.0975 1339 C 1.9630 40.9250 -5.8160 C.2 90 CYS90 0.2195 1340 O 1.7280 41.2400 -4.6390 O.2 90 CYS90 -0.2778 1341 CB 1.0370 42.0370 -7.8249 C.3 90 CYS90 0.0279 1342 SG 0.9888 43.4584 -8.9449 S.3 90 CYS90 -0.0910 1343 H 3.4820 41.4520 -8.5480 H 90 CYS90 0.1312 1344 HA 2.3999 42.9360 -6.3580 H 90 CYS90 0.0566 1345 HB1 0.9809 41.1254 -8.4194 H 90 CYS90 0.0405 1346 HB2 0.1108 42.0596 -7.2475 H 90 CYS90 0.0405 1347 N 1.9240 39.6580 -6.2730 N.am 91 ASP91 -0.2451 1348 CA 1.6000 38.5220 -5.4010 C.3 91 ASP91 0.0974 1349 C 2.6360 38.3530 -4.2950 C.2 91 ASP91 0.2192 1350 O 2.2550 38.1150 -3.1660 O.2 91 ASP91 -0.2778 1351 CB 1.4999 37.2398 -6.2785 C.3 91 ASP91 0.0576 1352 CG 0.3653 37.2298 -7.3460 C.2 91 ASP91 0.1780 1353 OD1 -0.3496 38.2125 -7.4871 O.co2 91 ASP91 -0.6478 1354 OD2 0.1940 36.2265 -8.0450 O.co2 91 ASP91 -0.6478 1355 H 2.1260 39.4820 -7.2570 H 91 ASP91 0.1312 1356 HA 0.6321 38.7333 -4.9439 H 91 ASP91 0.0563 1357 HB1 1.3478 36.3654 -5.6493 H 91 ASP91 0.0394 1358 HB2 2.4388 37.0809 -6.8076 H 91 ASP91 0.0394 1359 N 3.9240 38.4990 -4.6200 N.am 92 LYS92 -0.2456 1360 CA 5.0190 38.4070 -3.6460 C.3 92 LYS92 0.0878 1361 C 4.8040 39.4390 -2.5700 C.2 92 LYS92 0.2187 1362 O 4.9050 39.0980 -1.3890 O.2 92 LYS92 -0.2778 1363 CB 6.2828 38.6850 -4.4749 C.3 92 LYS92 -0.0289 1364 CG 7.5749 39.0518 -3.7272 C.3 92 LYS92 -0.0496 1365 CD 8.4988 39.8135 -4.6851 C.3 92 LYS92 -0.0278 1366 CE 9.7588 40.3908 -4.0399 C.3 92 LYS92 0.1103 1367 NZ 10.3438 41.4052 -4.9100 N.4 92 LYS92 -0.0749 1368 H 4.1590 38.6840 -5.5950 H 92 LYS92 0.1312 1369 HA 5.0125 37.4052 -3.2149 H 92 LYS92 0.0557 1370 HB1 6.0385 39.5162 -5.1336 H 92 LYS92 0.0285 1371 HB2 6.4720 37.8460 -5.1452 H 92 LYS92 0.0285 1372 HG1 8.0605 38.1573 -3.3391 H 92 LYS92 0.0266 1373 HG2 7.3615 39.6929 -2.8727 H 92 LYS92 0.0266 1374 HD1 7.9291 40.6433 -5.1063 H 92 LYS92 0.0282 1375 HD2 8.7669 39.1757 -5.5287 H 92 LYS92 0.0282 1376 HE1 10.4967 39.6079 -3.8583 H 92 LYS92 0.0559 1377 HE2 9.5216 40.8662 -3.0872 H 92 LYS92 0.0559 1378 HZ1 11.2165 41.8116 -4.5358 H 92 LYS92 0.2742 1379 HZ2 9.6470 42.1591 -5.0971 H 92 LYS92 0.2742 1380 HZ3 10.4891 41.0226 -5.8686 H 92 LYS92 0.2742 1381 N 4.5200 40.7150 -2.9610 N.am 93 ALA93 -0.2459 1382 CA 4.3120 41.7660 -1.9590 C.3 93 ALA93 0.0850 1383 C 3.1470 41.4120 -1.0230 C.2 93 ALA93 0.2184 1384 O 3.2370 41.6090 0.1810 O.2 93 ALA93 -0.2778 1385 CB 4.0063 43.0703 -2.7045 C.3 93 ALA93 -0.0411 1386 H 4.4520 40.9390 -3.9540 H 93 ALA93 0.1312 1387 HA 5.2402 41.8797 -1.4037 H 93 ALA93 0.0554 1388 HB1 3.8682 43.9026 -2.0142 H 93 ALA93 0.0249 1389 HB2 3.1036 42.9819 -3.3103 H 93 ALA93 0.0249 1390 HB3 4.8237 43.3289 -3.3781 H 93 ALA93 0.0249 1391 N 2.0630 40.8640 -1.5710 N.am 94 ALA94 -0.2459 1392 CA 0.8920 40.5300 -0.7580 C.3 94 ALA94 0.0850 1393 C 1.1710 39.3270 0.1410 C.2 94 ALA94 0.2184 1394 O 0.7710 39.3410 1.3080 O.2 94 ALA94 -0.2778 1395 CB -0.2830 40.2608 -1.6963 C.3 94 ALA94 -0.0411 1396 H 2.0490 40.6740 -2.5730 H 94 ALA94 0.1312 1397 HA 0.6667 41.3911 -0.1276 H 94 ALA94 0.0554 1398 HB1 -1.1871 40.0011 -1.1452 H 94 ALA94 0.0249 1399 HB2 -0.0570 39.4558 -2.3958 H 94 ALA94 0.0249 1400 HB3 -0.4957 41.1516 -2.2837 H 94 ALA94 0.0249 1401 N 1.8290 38.2800 -0.3860 N.am 95 ALA95 -0.2459 1402 CA 2.1170 37.0690 0.4050 C.3 95 ALA95 0.0850 1403 C 3.0350 37.3950 1.5720 C.2 95 ALA95 0.2185 1404 O 2.8810 36.8480 2.6630 O.2 95 ALA95 -0.2778 1405 CB 2.7404 36.0395 -0.5512 C.3 95 ALA95 -0.0411 1406 H 2.1370 38.3240 -1.3570 H 95 ALA95 0.1312 1407 HA 1.1674 36.6991 0.7895 H 95 ALA95 0.0554 1408 HB1 2.9019 35.0704 -0.0822 H 95 ALA95 0.0249 1409 HB2 3.6956 36.3887 -0.9456 H 95 ALA95 0.0249 1410 HB3 2.0837 35.8690 -1.4054 H 95 ALA95 0.0249 1411 N 3.9880 38.3050 1.3320 N.am 96 THR96 -0.2434 1412 CA 4.9690 38.6990 2.3640 C.3 96 THR96 0.1135 1413 C 4.2850 39.6390 3.3660 C.2 96 THR96 0.2212 1414 O 4.5740 39.5640 4.5530 O.2 96 THR96 -0.2777 1415 CB 6.2450 39.3091 1.7660 C.3 96 THR96 0.0763 1416 OG1 5.9656 40.5327 1.1202 O.3 96 THR96 -0.3900 1417 CG2 6.9969 38.3286 0.8496 C.3 96 THR96 -0.0370 1418 H 4.0380 38.7390 0.4100 H 96 THR96 0.1313 1419 HA 5.2362 37.7890 2.9043 H 96 THR96 0.0583 1420 HB 6.9228 39.5409 2.5886 H 96 THR96 0.0611 1421 HG1 5.3470 40.3368 0.4194 H 96 THR96 0.2098 1422 HG21 7.8536 38.8118 0.3802 H 96 THR96 0.0255 1423 HG22 6.3686 37.9238 0.0583 H 96 THR96 0.0255 1424 HG23 7.3685 37.4769 1.4198 H 96 THR96 0.0255 1425 N 3.3550 40.4850 2.8910 N.am 97 CYS97 -0.2448 1426 CA 2.5420 41.3820 3.7410 C.3 97 CYS97 0.0975 1427 C 1.6670 40.5380 4.6810 C.2 97 CYS97 0.2195 1428 O 1.5510 40.8360 5.8760 O.2 97 CYS97 -0.2778 1429 CB 1.7102 42.3018 2.8390 C.3 97 CYS97 0.0279 1430 SG 0.8037 43.6156 3.6903 S.3 97 CYS97 -0.0910 1431 H 3.2000 40.5100 1.8830 H 97 CYS97 0.1312 1432 HA 3.2206 41.9556 4.3668 H 97 CYS97 0.0566 1433 HB1 2.3720 42.7837 2.1224 H 97 CYS97 0.0405 1434 HB2 1.0063 41.7162 2.2475 H 97 CYS97 0.0405 1435 N 1.0650 39.4720 4.1650 N.am 98 PHE98 -0.2453 1436 CA 0.2320 38.6060 5.0200 C.3 98 PHE98 0.0917 1437 C 1.0950 37.9680 6.1060 C.2 98 PHE98 0.2190 1438 O 0.6820 37.9220 7.2430 O.2 98 PHE98 -0.2778 1439 CB -0.4225 37.4730 4.2061 C.3 98 PHE98 -0.0036 1440 CG -1.4082 37.9248 3.1595 C.ar 98 PHE98 -0.0454 1441 CD1 -2.2946 38.9756 3.3860 C.ar 98 PHE98 -0.0585 1442 CD2 -1.4886 37.2316 1.9555 C.ar 98 PHE98 -0.0585 1443 CE1 -3.2111 39.3470 2.4121 C.ar 98 PHE98 -0.0615 1444 CE2 -2.3879 37.6148 0.9718 C.ar 98 PHE98 -0.0615 1445 CZ -3.2407 38.6841 1.1956 C.ar 98 PHE98 -0.0617 1446 H 1.1790 39.2520 3.1750 H 98 PHE98 0.1312 1447 HA -0.5085 39.2360 5.5141 H 98 PHE98 0.0560 1448 HB1 -0.9503 36.7927 4.8742 H 98 PHE98 0.0333 1449 HB2 0.3551 36.8812 3.7198 H 98 PHE98 0.0333 1450 HD1 -2.2909 39.5156 4.3201 H 98 PHE98 0.0620 1451 HD2 -0.8382 36.3903 1.7739 H 98 PHE98 0.0620 1452 HE1 -3.8995 40.1576 2.6002 H 98 PHE98 0.0618 1453 HE2 -2.4218 37.0784 0.0353 H 98 PHE98 0.0618 1454 HZ -3.9320 38.9957 0.4294 H 98 PHE98 0.0618 1455 N 2.2890 37.4940 5.7420 N.am 99 ALA99 -0.2459 1456 CA 3.2330 36.8390 6.6790 C.3 99 ALA99 0.0850 1457 C 3.6520 37.8240 7.7900 C.2 99 ALA99 0.2184 1458 O 3.6480 37.4830 8.9740 O.2 99 ALA99 -0.2778 1459 CB 4.4307 36.3096 5.8910 C.3 99 ALA99 -0.0411 1460 H 2.5670 37.5880 4.7650 H 99 ALA99 0.1312 1461 HA 2.6905 36.0148 7.1424 H 99 ALA99 0.0554 1462 HB1 5.1346 35.7841 6.5364 H 99 ALA99 0.0249 1463 HB2 4.9647 37.1119 5.3819 H 99 ALA99 0.0249 1464 HB3 4.0835 35.6085 5.1345 H 99 ALA99 0.0249 1465 N 4.0250 39.0300 7.3960 N.am 100 ARG100 -0.2457 1466 CA 4.4720 40.1160 8.2790 C.3 100 ARG100 0.0879 1467 C 3.4080 40.4830 9.2960 C.2 100 ARG100 0.2187 1468 O 3.7370 40.8590 10.4190 O.2 100 ARG100 -0.2778 1469 CB 4.8345 41.3773 7.4691 C.3 100 ARG100 -0.0258 1470 CG 6.2046 41.2986 6.7793 C.3 100 ARG100 -0.0154 1471 CD 6.6950 42.6650 6.2699 C.3 100 ARG100 0.1045 1472 NE 5.7702 43.2653 5.3022 N.pl3 100 ARG100 -0.4450 1473 CZ 5.7273 42.9656 4.0063 C.cat 100 ARG100 0.5062 1474 NH1 6.4888 42.0366 3.5008 N.pl3 100 ARG100 -0.4573 1475 NH2 4.9080 43.6075 3.2187 N.pl3 100 ARG100 -0.4573 1476 H 4.0000 39.2230 6.3950 H 100 ARG100 0.1312 1477 HA 5.3356 39.7455 8.8328 H 100 ARG100 0.0557 1478 HB1 4.8592 42.2382 8.1408 H 100 ARG100 0.0286 1479 HB2 4.0495 41.5886 6.7414 H 100 ARG100 0.0286 1480 HG1 6.1851 40.5729 5.9700 H 100 ARG100 0.0299 1481 HG2 6.9366 40.9246 7.4960 H 100 ARG100 0.0299 1482 HD1 7.6918 42.6026 5.8271 H 100 ARG100 0.0711 1483 HD2 6.7706 43.3674 7.1041 H 100 ARG100 0.0711 1484 HE 5.1246 43.9498 5.6409 H 100 ARG100 0.3153 1485 HH11 6.4222 41.7934 2.5313 H 100 ARG100 0.3114 1486 HH12 7.1305 41.5679 4.0991 H 100 ARG100 0.3114 1487 HH21 4.8605 43.3693 2.2507 H 100 ARG100 0.3114 1488 HH22 4.3299 44.3338 3.5841 H 100 ARG100 0.3114 1489 N 2.1350 40.3900 8.8900 N.am 101 ASN101 -0.2452 1490 CA 0.9960 40.7710 9.7380 C.3 101 ASN101 0.0957 1491 C 0.2400 39.5680 10.3170 C.2 101 ASN101 0.2191 1492 O -0.7980 39.7330 10.9500 O.2 101 ASN101 -0.2778 1493 CB 0.0017 41.5725 8.8793 C.3 101 ASN101 0.0446 1494 CG 0.6526 42.7906 8.2042 C.2 101 ASN101 0.2000 1495 OD1 1.7063 43.2785 8.5909 O.2 101 ASN101 -0.2797 1496 ND2 -0.0492 43.2519 7.1609 N.am 101 ASN101 -0.2723 1497 H 1.9470 40.0390 7.9510 H 101 ASN101 0.1312 1498 HA 1.3544 41.3812 10.5695 H 101 ASN101 0.0562 1499 HB1 -0.8338 41.9258 9.4834 H 101 ASN101 0.0375 1500 HB2 -0.4177 40.9379 8.0966 H 101 ASN101 0.0375 1501 HD21 0.2821 44.0399 6.6454 H 101 ASN101 0.1266 1502 HD22 -0.9062 42.8189 6.8819 H 101 ASN101 0.1266 1503 N 0.8360 38.3600 10.2230 N.am 102 LYS102 -0.2456 1504 CA 0.2060 37.1280 10.7250 C.3 102 LYS102 0.0878 1505 C -0.1940 37.1720 12.2120 C.2 102 LYS102 0.2187 1506 O -1.2010 36.5570 12.5850 O.2 102 LYS102 -0.2778 1507 CB 1.1123 35.9440 10.3438 C.3 102 LYS102 -0.0289 1508 CG 0.3858 34.5893 10.2981 C.3 102 LYS102 -0.0496 1509 CD 1.1392 33.5265 9.4753 C.3 102 LYS102 -0.0278 1510 CE 2.4284 33.0259 10.1425 C.3 102 LYS102 0.1103 1511 NZ 3.1260 32.0097 9.3457 N.4 102 LYS102 -0.0749 1512 H 1.7570 38.2990 9.7880 H 102 LYS102 0.1312 1513 HA -0.7237 37.0544 10.1588 H 102 LYS102 0.0557 1514 HB1 1.9823 35.9021 10.9999 H 102 LYS102 0.0285 1515 HB2 1.4997 36.1430 9.3440 H 102 LYS102 0.0285 1516 HG1 -0.5920 34.7368 9.8367 H 102 LYS102 0.0266 1517 HG2 0.1892 34.2329 11.3101 H 102 LYS102 0.0266 1518 HD1 1.3641 33.9301 8.4868 H 102 LYS102 0.0282 1519 HD2 0.4743 32.6777 9.3091 H 102 LYS102 0.0282 1520 HE1 2.1961 32.5916 11.1173 H 102 LYS102 0.0559 1521 HE2 3.1184 33.8548 10.3160 H 102 LYS102 0.0559 1522 HZ1 3.9208 31.6150 9.8894 H 102 LYS102 0.2742 1523 HZ2 3.4978 32.4365 8.4721 H 102 LYS102 0.2742 1524 HZ3 2.4689 31.2398 9.0920 H 102 LYS102 0.2742 1525 N 0.5750 37.8970 13.0540 N.am 103 THR103 -0.2434 1526 CA 0.2700 37.9310 14.4990 C.3 103 THR103 0.1135 1527 C -0.9690 38.7390 14.7960 C.2 103 THR103 0.2213 1528 O -1.5760 38.5730 15.8590 O.2 103 THR103 -0.2777 1529 CB 1.4714 38.5333 15.2514 C.3 103 THR103 0.0763 1530 OG1 1.7496 39.8124 14.7017 O.3 103 THR103 -0.3900 1531 CG2 2.7104 37.6295 15.1476 C.3 103 THR103 -0.0370 1532 H 1.3690 38.4230 12.6900 H 103 THR103 0.1313 1533 HA 0.0910 36.9072 14.8294 H 103 THR103 0.0583 1534 HB 1.1971 38.6363 16.3088 H 103 THR103 0.0611 1535 HG1 2.4704 40.2318 15.1619 H 103 THR103 0.2098 1536 HG21 3.5318 38.0010 15.7608 H 103 THR103 0.0255 1537 HG22 3.0675 37.5633 14.1197 H 103 THR103 0.0255 1538 HG23 2.4834 36.6196 15.4889 H 103 THR103 0.0255 1539 N -1.3640 39.6070 13.8610 N.am 104 THR104 -0.2433 1540 CA -2.5810 40.3870 14.0060 C.3 104 THR104 0.1135 1541 C -3.7550 39.8260 13.1900 C.2 104 THR104 0.2212 1542 O -4.7990 40.4510 13.1680 O.2 104 THR104 -0.2777 1543 CB -2.2842 41.8619 13.6725 C.3 104 THR104 0.0763 1544 OG1 -1.8896 41.9843 12.3155 O.3 104 THR104 -0.3900 1545 CG2 -1.2066 42.4247 14.6205 C.3 104 THR104 -0.0370 1546 H -0.7960 39.7260 13.0220 H 104 THR104 0.1313 1547 HA -2.8990 40.3448 15.0484 H 104 THR104 0.0583 1548 HB -3.2085 42.4304 13.8189 H 104 THR104 0.0611 1549 HG1 -1.5398 42.8518 12.1533 H 104 THR104 0.2098 1550 HG21 -1.0932 43.5040 14.5161 H 104 THR104 0.0255 1551 HG22 -0.2337 41.9680 14.4345 H 104 THR104 0.0255 1552 HG23 -1.4668 42.2308 15.6611 H 104 THR104 0.0255 1553 N -3.5830 38.6850 12.5070 N.am 105 TYR105 -0.2453 1554 CA -4.6450 38.0460 11.7000 C.3 105 TYR105 0.0918 1555 C -5.8640 37.8270 12.6320 C.2 105 TYR105 0.2190 1556 O -5.6870 37.2930 13.7200 O.2 105 TYR105 -0.2778 1557 CB -4.0665 36.7280 11.1713 C.3 105 TYR105 -0.0036 1558 CG -5.0442 35.9127 10.3697 C.ar 105 TYR105 -0.0453 1559 CD1 -5.8492 34.9687 11.0002 C.ar 105 TYR105 -0.0561 1560 CD2 -5.1211 36.0569 8.9883 C.ar 105 TYR105 -0.0561 1561 CE1 -6.6928 34.1551 10.2582 C.ar 105 TYR105 -0.0317 1562 CE2 -5.9594 35.2390 8.2435 C.ar 105 TYR105 -0.0317 1563 CZ -6.7236 34.2720 8.8779 C.ar 105 TYR105 0.0726 1564 OH -7.4881 33.4015 8.1336 O.3 105 TYR105 -0.3598 1565 H -2.6700 38.2330 12.5460 H 105 TYR105 0.1312 1566 HA -4.9139 38.7355 10.9002 H 105 TYR105 0.0560 1567 HB1 -3.7073 36.1250 12.0066 H 105 TYR105 0.0333 1568 HB2 -3.1902 36.9400 10.5577 H 105 TYR105 0.0333 1569 HD1 -5.8069 34.8616 12.0751 H 105 TYR105 0.0621 1570 HD2 -4.5088 36.7914 8.4854 H 105 TYR105 0.0621 1571 HE1 -7.3112 33.4209 10.7517 H 105 TYR105 0.0643 1572 HE2 -5.9997 35.3406 7.1695 H 105 TYR105 0.0643 1573 HH -7.8970 33.8995 7.4327 H 105 TYR105 0.2173 1574 N -7.0710 38.2770 12.2290 N.am 106 ASN106 -0.2452 1575 CA -8.2700 38.1570 13.0830 C.3 106 ASN106 0.0957 1576 C -9.2780 37.2020 12.5220 C.2 106 ASN106 0.2191 1577 O -9.8020 37.4580 11.4420 O.2 106 ASN106 -0.2778 1578 CB -8.8586 39.5466 13.3152 C.3 106 ASN106 0.0446 1579 CG -8.5459 40.0676 14.7203 C.2 106 ASN106 0.2000 1580 OD1 -9.4189 40.1498 15.5755 O.2 106 ASN106 -0.2797 1581 ND2 -7.2653 40.4094 14.9065 N.am 106 ASN106 -0.2723 1582 H -7.1580 38.7120 11.3100 H 106 ASN106 0.1312 1583 HA -7.9576 37.7257 14.0371 H 106 ASN106 0.0562 1584 HB1 -9.9430 39.5276 13.2199 H 106 ASN106 0.0375 1585 HB2 -8.4551 40.2492 12.5869 H 106 ASN106 0.0375 1586 HD21 -6.9340 40.7520 15.7846 H 106 ASN106 0.1266 1587 HD22 -6.5988 40.3239 14.1635 H 106 ASN106 0.1266 1588 N -9.6090 36.1460 13.2810 N.am 107 LYS107 -0.2456 1589 CA -10.6090 35.1510 12.8750 C.3 107 LYS107 0.0878 1590 C -11.9610 35.8220 12.5950 C.2 107 LYS107 0.2187 1591 O -12.6450 35.4380 11.6520 O.2 107 LYS107 -0.2778 1592 CB -10.7696 34.1165 14.0121 C.3 107 LYS107 -0.0289 1593 CG -11.6842 32.9245 13.6588 C.3 107 LYS107 -0.0496 1594 CD -12.2176 32.1512 14.8806 C.3 107 LYS107 -0.0278 1595 CE -11.1516 31.3648 15.6594 C.3 107 LYS107 0.1103 1596 NZ -11.7213 30.5740 16.7589 N.4 107 LYS107 -0.0749 1597 H -9.1440 36.0290 14.1820 H 107 LYS107 0.1312 1598 HA -10.2456 34.6842 11.9578 H 107 LYS107 0.0557 1599 HB1 -11.1585 34.6247 14.8959 H 107 LYS107 0.0285 1600 HB2 -9.7871 33.7382 14.2956 H 107 LYS107 0.0285 1601 HG1 -11.1666 32.2505 12.9750 H 107 LYS107 0.0266 1602 HG2 -12.5529 33.2856 13.1078 H 107 LYS107 0.0266 1603 HD1 -12.9816 31.4543 14.5325 H 107 LYS107 0.0282 1604 HD2 -12.7295 32.8449 15.5491 H 107 LYS107 0.0282 1605 HE1 -10.4069 32.0450 16.0785 H 107 LYS107 0.0559 1606 HE2 -10.6244 30.6816 14.9900 H 107 LYS107 0.0559 1607 HZ1 -10.9675 30.0581 17.2594 H 107 LYS107 0.2742 1608 HZ2 -12.4092 29.8873 16.3847 H 107 LYS107 0.2742 1609 HZ3 -12.2077 31.1988 17.4349 H 107 LYS107 0.2742 1610 N -12.3110 36.8740 13.3690 N.am 108 LYS108 -0.2457 1611 CA -13.5740 37.5870 13.1640 C.3 108 LYS108 0.0878 1612 C -13.6850 38.2150 11.7830 C.2 108 LYS108 0.2187 1613 O -14.8040 38.5020 11.3620 O.2 108 LYS108 -0.2778 1614 CB -13.8984 38.5601 14.3212 C.3 108 LYS108 -0.0289 1615 CG -12.7059 39.1244 15.1182 C.3 108 LYS108 -0.0496 1616 CD -13.1968 40.0397 16.2558 C.3 108 LYS108 -0.0278 1617 CE -12.1102 40.4536 17.2606 C.3 108 LYS108 0.1103 1618 NZ -11.2470 41.5279 16.7782 N.4 108 LYS108 -0.0749 1619 H -11.6820 37.1780 14.1120 H 108 LYS108 0.1312 1620 HA -14.3439 36.8123 13.1712 H 108 LYS108 0.0557 1621 HB1 -14.5316 38.0220 15.0280 H 108 LYS108 0.0285 1622 HB2 -14.5220 39.3800 13.9605 H 108 LYS108 0.0285 1623 HG1 -12.0234 39.6563 14.4569 H 108 LYS108 0.0266 1624 HG2 -12.1370 38.3038 15.5557 H 108 LYS108 0.0266 1625 HD1 -13.9698 39.5037 16.8090 H 108 LYS108 0.0282 1626 HD2 -13.6884 40.9221 15.8438 H 108 LYS108 0.0282 1627 HE1 -11.4839 39.6005 17.5301 H 108 LYS108 0.0559 1628 HE2 -12.5806 40.8057 18.1813 H 108 LYS108 0.0559 1629 HZ1 -10.5417 41.7794 17.4999 H 108 LYS108 0.2742 1630 HZ2 -11.8180 42.3601 16.5243 H 108 LYS108 0.2742 1631 HZ3 -10.7461 41.2161 15.9212 H 108 LYS108 0.2742 1632 N -12.5380 38.3970 11.0550 N.am 109 TYR109 -0.2453 1633 CA -12.5810 38.9810 9.7140 C.3 109 TYR109 0.0917 1634 C -12.4010 37.9630 8.5940 C.2 109 TYR109 0.2190 1635 O -12.5180 38.3310 7.4300 O.2 109 TYR109 -0.2778 1636 CB -11.6831 40.2227 9.6633 C.3 109 TYR109 -0.0036 1637 CG -11.7781 41.0412 10.9371 C.ar 109 TYR109 -0.0453 1638 CD1 -12.9853 41.3047 11.5910 C.ar 109 TYR109 -0.0561 1639 CD2 -10.6091 41.4753 11.5346 C.ar 109 TYR109 -0.0561 1640 CE1 -12.9991 41.8758 12.8622 C.ar 109 TYR109 -0.0317 1641 CE2 -10.6182 42.0999 12.7732 C.ar 109 TYR109 -0.0317 1642 CZ -11.8076 42.2745 13.4564 C.ar 109 TYR109 0.0726 1643 OH -11.7912 42.9147 14.6804 O.3 109 TYR109 -0.3598 1644 H -11.6410 38.1210 11.4540 H 109 TYR109 0.1312 1645 HA -13.5938 39.3517 9.5612 H 109 TYR109 0.0560 1646 HB1 -11.9283 40.8505 8.8065 H 109 TYR109 0.0333 1647 HB2 -10.6512 39.9013 9.5310 H 109 TYR109 0.0333 1648 HD1 -13.9216 40.9992 11.1482 H 109 TYR109 0.0621 1649 HD2 -9.6650 41.3006 11.0386 H 109 TYR109 0.0621 1650 HE1 -13.9390 42.0390 13.3688 H 109 TYR109 0.0643 1651 HE2 -9.6820 42.4282 13.2024 H 109 TYR109 0.0643 1652 HH -11.0739 43.5412 14.6752 H 109 TYR109 0.2173 1653 N -12.1760 36.6780 8.9290 N.am 110 GLN110 -0.2456 1654 CA -11.8940 35.6660 7.9120 C.3 110 GLN110 0.0882 1655 C -12.9570 35.5520 6.8180 C.2 110 GLN110 0.2187 1656 O -12.6070 35.3980 5.6480 O.2 110 GLN110 -0.2778 1657 CB -11.5604 34.3139 8.5712 C.3 110 GLN110 -0.0210 1658 CG -10.8805 33.3327 7.5933 C.3 110 GLN110 0.0225 1659 CD -10.3284 32.0757 8.2964 C.2 110 GLN110 0.1981 1660 OE1 -9.6523 32.1378 9.3170 O.2 110 GLN110 -0.2798 1661 NE2 -10.6516 30.9287 7.6840 N.am 110 GLN110 -0.2724 1662 H -12.2030 36.4050 9.9120 H 110 GLN110 0.1312 1663 HA -10.9944 36.0223 7.4141 H 110 GLN110 0.0557 1664 HB1 -12.4594 33.8673 8.9986 H 110 GLN110 0.0289 1665 HB2 -10.8879 34.5037 9.4094 H 110 GLN110 0.0289 1666 HG1 -10.0441 33.8207 7.0936 H 110 GLN110 0.0356 1667 HG2 -11.5787 33.0317 6.8111 H 110 GLN110 0.0356 1668 HE21 -10.3876 30.0440 8.0635 H 110 GLN110 0.1266 1669 HE22 -11.1742 30.9327 6.8287 H 110 GLN110 0.1266 1670 N -14.2460 35.6400 7.2080 N.am 111 TYR111 -0.2453 1671 CA -15.3850 35.5290 6.3160 C.3 111 TYR111 0.0917 1672 C -16.2460 36.7570 6.5350 C.2 111 TYR111 0.2190 1673 O -17.4180 36.6650 6.8890 O.2 111 TYR111 -0.2778 1674 CB -16.1418 34.2197 6.6016 C.3 111 TYR111 -0.0036 1675 CG -15.2559 33.0100 6.4377 C.ar 111 TYR111 -0.0453 1676 CD1 -14.8033 32.6271 5.1774 C.ar 111 TYR111 -0.0561 1677 CD2 -14.8783 32.2542 7.5448 C.ar 111 TYR111 -0.0561 1678 CE1 -13.9785 31.5184 5.0285 C.ar 111 TYR111 -0.0317 1679 CE2 -14.0687 31.1353 7.3943 C.ar 111 TYR111 -0.0317 1680 CZ -13.6140 30.7703 6.1359 C.ar 111 TYR111 0.0726 1681 OH -12.7934 29.6713 5.9847 O.3 111 TYR111 -0.3598 1682 H -14.4320 35.7950 8.1990 H 111 TYR111 0.1312 1683 HA -15.0289 35.5412 5.2855 H 111 TYR111 0.0560 1684 HB1 -16.9929 34.1174 5.9273 H 111 TYR111 0.0333 1685 HB2 -16.5512 34.2304 7.6133 H 111 TYR111 0.0333 1686 HD1 -15.0938 33.1885 4.3025 H 111 TYR111 0.0621 1687 HD2 -15.2231 32.5280 8.5313 H 111 TYR111 0.0621 1688 HE1 -13.6273 31.2192 4.0525 H 111 TYR111 0.0643 1689 HE2 -13.7855 30.5511 8.2566 H 111 TYR111 0.0643 1690 HH -13.0555 28.9994 6.6006 H 111 TYR111 0.2173 1691 N -15.6450 37.9180 6.3330 N.am 112 TYR112 -0.2453 1692 CA -16.2840 39.2020 6.5530 C.3 112 TYR112 0.0917 1693 C -17.1170 39.6450 5.3680 C.2 112 TYR112 0.2191 1694 O -16.6030 39.7610 4.2630 O.2 112 TYR112 -0.2778 1695 CB -15.2210 40.2420 6.9020 C.3 112 TYR112 -0.0036 1696 CG -15.7490 41.3740 7.7460 C.ar 112 TYR112 -0.0453 1697 CD1 -16.0910 41.1720 9.0790 C.ar 112 TYR112 -0.0561 1698 CD2 -15.8990 42.6510 7.2170 C.ar 112 TYR112 -0.0561 1699 CE1 -16.5740 42.2150 9.8660 C.ar 112 TYR112 -0.0317 1700 CE2 -16.3650 43.7050 8.0000 C.ar 112 TYR112 -0.0317 1701 CZ -16.7150 43.4770 9.3190 C.ar 112 TYR112 0.0726 1702 OH -17.1600 44.5170 10.0940 O.3 112 TYR112 -0.3598 1703 H -14.6790 37.9100 6.0050 H 112 TYR112 0.1312 1704 HA -16.9640 39.1000 7.4310 H 112 TYR112 0.0560 1705 HB1 -14.7300 40.6310 5.9800 H 112 TYR112 0.0333 1706 HB2 -14.4360 39.7230 7.5000 H 112 TYR112 0.0333 1707 HD1 -15.9780 40.1680 9.5210 H 112 TYR112 0.0621 1708 HD2 -15.6450 42.8330 6.1590 H 112 TYR112 0.0621 1709 HE1 -16.8430 42.0350 10.9200 H 112 TYR112 0.0643 1710 HE2 -16.4550 44.7170 7.5700 H 112 TYR112 0.0643 1711 HH -17.2570 45.3840 9.7180 H 112 TYR112 0.2173 1712 N -18.4130 39.8890 5.5900 N.am 113 SER113 -0.2436 1713 CA -19.2810 40.3110 4.4950 C.3 113 SER113 0.1109 1714 C -19.0620 41.7710 4.2010 C.2 113 SER113 0.2209 1715 O -18.9720 42.5800 5.1240 O.2 113 SER113 -0.2777 1716 CB -20.7440 40.0480 4.8761 C.3 113 SER113 0.0681 1717 OG -21.6296 40.3939 3.8191 O.3 113 SER113 -0.3930 1718 H -18.7970 39.7800 6.5290 H 113 SER113 0.1312 1719 HA -19.0298 39.7136 3.6174 H 113 SER113 0.0580 1720 HB1 -21.0107 40.6467 5.7483 H 113 SER113 0.0577 1721 HB2 -20.8896 39.0062 5.1887 H 113 SER113 0.0577 1722 HG -21.6282 39.7304 3.1328 H 113 SER113 0.2095 1723 N -18.9510 42.0870 2.9080 N.am 114 ASN114 -0.2451 1724 CA -18.7930 43.4260 2.3430 C.3 114 ASN114 0.0957 1725 C -19.8590 44.3820 2.9050 C.2 114 ASN114 0.2191 1726 O -19.5960 45.5700 3.0760 O.2 114 ASN114 -0.2778 1727 CB -18.9364 43.2826 0.8123 C.3 114 ASN114 0.0446 1728 CG -18.5903 44.5567 0.0319 C.2 114 ASN114 0.2000 1729 OD1 -18.4453 45.6352 0.5847 O.2 114 ASN114 -0.2797 1730 ND2 -18.4645 44.3628 -1.2893 N.am 114 ASN114 -0.2723 1731 H -18.9790 41.3120 2.2450 H 114 ASN114 0.1312 1732 HA -17.8041 43.7860 2.6277 H 114 ASN114 0.0562 1733 HB1 -19.9509 42.9836 0.5453 H 114 ASN114 0.0375 1734 HB2 -18.2752 42.4937 0.4552 H 114 ASN114 0.0375 1735 HD21 -18.2127 45.1267 -1.8830 H 114 ASN114 0.1266 1736 HD22 -18.6182 43.4721 -1.7170 H 114 ASN114 0.1266 1737 N -21.0560 43.8560 3.1760 N.am 115 LYS115 -0.2456 1738 CA -22.2110 44.5950 3.6710 C.3 115 LYS115 0.0878 1739 C -21.9340 45.3620 5.0130 C.2 115 LYS115 0.2187 1740 O -22.7680 46.1600 5.4250 O.2 115 LYS115 -0.2778 1741 CB -23.4026 43.6357 3.8373 C.3 115 LYS115 -0.0289 1742 CG -23.2759 42.7156 5.0631 C.3 115 LYS115 -0.0496 1743 CD -24.2504 41.5288 5.0477 C.3 115 LYS115 -0.0278 1744 CE -25.6978 41.9256 5.3628 C.3 115 LYS115 0.1103 1745 NZ -25.8626 42.3769 6.7463 N.4 115 LYS115 -0.0749 1746 H -21.1720 42.8540 3.0240 H 115 LYS115 0.1312 1747 HA -22.4417 45.3365 2.9047 H 115 LYS115 0.0557 1748 HB1 -23.4944 43.0352 2.9313 H 115 LYS115 0.0285 1749 HB2 -24.3255 44.2117 3.9115 H 115 LYS115 0.0285 1750 HG1 -23.4019 43.2914 5.9799 H 115 LYS115 0.0266 1751 HG2 -22.2575 42.3377 5.1005 H 115 LYS115 0.0266 1752 HD1 -23.9172 40.7801 5.7678 H 115 LYS115 0.0282 1753 HD2 -24.2086 41.0403 4.0731 H 115 LYS115 0.0282 1754 HE1 -26.3605 41.0714 5.2068 H 115 LYS115 0.0559 1755 HE2 -26.0367 42.7194 4.6938 H 115 LYS115 0.0559 1756 HZ1 -26.8535 42.6469 6.9166 H 115 LYS115 0.2742 1757 HZ2 -25.2446 43.1952 6.9243 H 115 LYS115 0.2742 1758 HZ3 -25.6007 41.6100 7.3993 H 115 LYS115 0.2742 1759 N -20.7520 45.1790 5.6370 N.am 116 HIS116 -0.2453 1760 CA -20.3680 45.8730 6.8830 C.3 116 HIS116 0.0932 1761 C -19.2110 46.8340 6.6430 C.2 116 HIS116 0.2191 1762 O -18.6950 47.4670 7.5710 O.2 116 HIS116 -0.2778 1763 CB -19.9085 44.8110 7.8964 C.3 116 HIS116 0.0146 1764 CG -21.0126 43.8246 8.2091 C.ar 116 HIS116 0.0551 1765 ND1 -21.1648 42.6338 7.5857 N.ar 116 HIS116 -0.2469 1766 CD2 -21.9258 43.8786 9.2746 C.ar 116 HIS116 0.0047 1767 CE1 -22.1032 41.9692 8.2810 C.ar 116 HIS116 0.0737 1768 NE2 -22.6183 42.7155 9.2740 N.ar 116 HIS116 -0.2539 1769 H -20.0860 44.5250 5.2250 H 116 HIS116 0.1312 1770 HA -21.2177 46.4373 7.2689 H 116 HIS116 0.0561 1771 HB1 -19.5813 45.2726 8.8293 H 116 HIS116 0.0348 1772 HB2 -19.0592 44.2548 7.5005 H 116 HIS116 0.0348 1773 HD2 -22.0045 44.6744 10.0014 H 116 HIS116 0.0764 1774 HE1 -22.3809 40.9430 8.0849 H 116 HIS116 0.0963 1775 HE2 -23.2683 42.4295 9.9502 H 116 HIS116 0.1339 1776 N -18.8060 46.9350 5.3890 N.am 117 CYS117 -0.2448 1777 CA -17.6760 47.7400 4.9810 C.3 117 CYS117 0.0975 1778 C -18.0930 49.1470 4.6200 C.2 117 CYS117 0.2195 1779 O -18.4540 49.4360 3.4770 O.2 117 CYS117 -0.2778 1780 CB -16.9465 47.0568 3.8206 C.3 117 CYS117 0.0279 1781 SG -16.3715 45.3951 4.2495 S.3 117 CYS117 -0.0910 1782 H -19.3160 46.4190 4.6730 H 117 CYS117 0.1312 1783 HA -16.9789 47.7932 5.8214 H 117 CYS117 0.0566 1784 HB1 -17.5804 46.9909 2.9387 H 117 CYS117 0.0405 1785 HB2 -16.0802 47.6535 3.5409 H 117 CYS117 0.0405 1786 N -18.0340 50.0100 5.6230 N.am 118 ARG118 -0.2456 1787 CA -18.3330 51.4340 5.5170 C.3 118 ARG118 0.0879 1788 C -17.0470 52.2420 5.4950 C.2 118 ARG118 0.2185 1789 O -15.9630 51.7100 5.7460 O.2 118 ARG118 -0.2778 1790 CB -19.1153 51.8537 6.7805 C.3 118 ARG118 -0.0258 1791 CG -20.5250 51.2587 6.9178 C.3 118 ARG118 -0.0154 1792 CD -21.1584 51.6728 8.2574 C.3 118 ARG118 0.1045 1793 NE -22.6013 51.4173 8.2647 N.pl3 118 ARG118 -0.4450 1794 CZ -23.3913 51.7134 9.2981 C.cat 118 ARG118 0.5062 1795 NH1 -22.9058 52.2051 10.4081 N.pl3 118 ARG118 -0.4573 1796 NH2 -24.6786 51.5124 9.2055 N.pl3 118 ARG118 -0.4573 1797 H -17.7590 49.6520 6.5380 H 118 ARG118 0.1312 1798 HA -18.8991 51.6246 4.6043 H 118 ARG118 0.0557 1799 HB1 -19.2135 52.9403 6.8127 H 118 ARG118 0.0286 1800 HB2 -18.5309 51.5815 7.6618 H 118 ARG118 0.0286 1801 HG1 -20.4921 50.1705 6.8469 H 118 ARG118 0.0299 1802 HG2 -21.1410 51.6100 6.0895 H 118 ARG118 0.0299 1803 HD1 -21.0139 52.7434 8.4278 H 118 ARG118 0.0711 1804 HD2 -20.6974 51.1244 9.0837 H 118 ARG118 0.0711 1805 HE -23.0316 51.0099 7.4612 H 118 ARG118 0.3153 1806 HH11 -23.5099 52.4308 11.1696 H 118 ARG118 0.3114 1807 HH12 -21.9247 52.3558 10.4963 H 118 ARG118 0.3114 1808 HH21 -25.2737 51.7252 9.9781 H 118 ARG118 0.3114 1809 HH22 -25.0762 51.1505 8.3662 H 118 ARG118 0.3114 1810 N -17.1860 53.5170 5.1900 N.am 119 GLY119 -0.2485 1811 CA -16.0810 54.4560 5.0970 C.3 119 GLY119 0.0765 1812 C -15.6760 54.5790 3.6500 C.2 119 GLY119 0.2156 1813 O -16.1260 53.7970 2.8090 O.2 119 GLY119 -0.2781 1814 H -18.1270 53.8660 5.0080 H 119 GLY119 0.1309 1815 HA1 -15.2405 54.1070 5.6960 H 119 GLY119 0.0521 1816 HA2 -16.4253 55.4174 5.4771 H 119 GLY119 0.0521 1817 N -14.8400 55.5600 3.3510 N.am 120 SER120 -0.2439 1818 CA -14.3480 55.7750 1.9960 C.3 120 SER120 0.1109 1819 C -13.3980 54.6290 1.5810 C.2 120 SER120 0.2210 1820 O -12.6770 54.0650 2.4170 O.2 120 SER120 -0.2777 1821 CB -13.6352 57.1329 1.9164 C.3 120 SER120 0.0681 1822 OG -12.5965 57.2114 2.8849 O.3 120 SER120 -0.3930 1823 H -14.5300 56.1870 4.0940 H 120 SER120 0.1312 1824 HA -15.2134 55.7705 1.3317 H 120 SER120 0.0580 1825 HB1 -14.3710 57.9241 2.0965 H 120 SER120 0.0577 1826 HB2 -13.2288 57.2786 0.9094 H 120 SER120 0.0577 1827 HG -12.1528 58.0554 2.8566 H 120 SER120 0.2095 1828 N -13.4590 54.2500 0.3090 N.am 121 THR121 -0.2433 1829 CA -12.5980 53.2040 -0.2240 C.3 121 THR121 0.1137 1830 C -11.2530 53.8720 -0.4900 C.2 121 THR121 0.2239 1831 O -11.2340 54.8820 -1.1780 O.2 121 THR121 -0.2775 1832 CB -13.1986 52.6835 -1.5482 C.3 121 THR121 0.0763 1833 OG1 -14.5030 52.1709 -1.3010 O.3 121 THR121 -0.3900 1834 CG2 -12.3273 51.5981 -2.2054 C.3 121 THR121 -0.0370 1835 H -14.1280 54.7050 -0.3120 H 121 THR121 0.1313 1836 HA -12.5361 52.4082 0.5179 H 121 THR121 0.0583 1837 HB -13.2705 53.5393 -2.2317 H 121 THR121 0.0611 1838 HG1 -14.9112 51.9052 -2.1194 H 121 THR121 0.2098 1839 HG21 -12.7199 51.2911 -3.1749 H 121 THR121 0.0255 1840 HG22 -12.2752 50.7139 -1.5762 H 121 THR121 0.0255 1841 HG23 -11.3080 51.9457 -2.3732 H 121 THR121 0.0255 1842 N -10.1160 53.3610 0.0370 N.am 122 PRO122 -0.2315 1843 CA -8.8270 54.0350 -0.2340 C.3 122 PRO122 0.0907 1844 C -8.5250 54.1950 -1.7260 C.2 122 PRO122 0.2189 1845 O -8.9990 53.4000 -2.5560 O.2 122 PRO122 -0.2778 1846 CB -7.8203 53.1285 0.4934 C.3 122 PRO122 -0.0276 1847 CG -8.5495 51.8032 0.7388 C.3 122 PRO122 -0.0379 1848 CD -10.0298 52.1565 0.8475 C.3 122 PRO122 0.0071 1849 HA -8.8771 55.0207 0.2303 H 122 PRO122 0.0559 1850 HB1 -7.5709 53.5763 1.4555 H 122 PRO122 0.0285 1851 HB2 -6.8840 52.9880 -0.0489 H 122 PRO122 0.0285 1852 HG1 -8.1787 51.2635 1.6101 H 122 PRO122 0.0278 1853 HG2 -8.4169 51.1604 -0.1307 H 122 PRO122 0.0278 1854 HD1 -10.6671 51.3724 0.4392 H 122 PRO122 0.0431 1855 HD2 -10.3390 52.4188 1.8604 H 122 PRO122 0.0431 1856 N -7.7820 55.2520 -2.0660 N.am 123 ARG123 -0.2456 1857 CA -7.3830 55.5140 -3.4600 C.3 123 ARG123 0.0879 1858 C -6.0960 54.7600 -3.7760 C.2 123 ARG123 0.2187 1859 O -5.1980 54.7070 -2.9420 O.2 123 ARG123 -0.2778 1860 CB -7.1349 57.0123 -3.6790 C.3 123 ARG123 -0.0258 1861 CG -8.3533 57.8966 -3.3819 C.3 123 ARG123 -0.0154 1862 CD -8.1620 59.3539 -3.8351 C.3 123 ARG123 0.1045 1863 NE -7.0088 59.9738 -3.1692 N.pl3 123 ARG123 -0.4450 1864 CZ -5.7716 60.0416 -3.6651 C.cat 123 ARG123 0.5062 1865 NH1 -5.4686 59.5423 -4.8349 N.pl3 123 ARG123 -0.4573 1866 NH2 -4.8339 60.6202 -2.9640 N.pl3 123 ARG123 -0.4573 1867 H -7.4810 55.8990 -1.3370 H 123 ARG123 0.1312 1868 HA -8.1807 55.1572 -4.1154 H 123 ARG123 0.0557 1869 HB1 -6.8345 57.1630 -4.7168 H 123 ARG123 0.0286 1870 HB2 -6.2956 57.3304 -3.0590 H 123 ARG123 0.0286 1871 HG1 -8.5752 57.8710 -2.3144 H 123 ARG123 0.0299 1872 HG2 -9.2302 57.4841 -3.8831 H 123 ARG123 0.0299 1873 HD1 -9.0387 59.9470 -3.5632 H 123 ARG123 0.0711 1874 HD2 -8.0586 59.4331 -4.9198 H 123 ARG123 0.0711 1875 HE -7.1535 60.3790 -2.2673 H 123 ARG123 0.3153 1876 HH11 -4.5372 59.5971 -5.1883 H 123 ARG123 0.3114 1877 HH12 -6.1761 59.0996 -5.3791 H 123 ARG123 0.3114 1878 HH21 -3.9039 60.6747 -3.3206 H 123 ARG123 0.3114 1879 HH22 -5.0418 61.0094 -2.0696 H 123 ARG123 0.3114 1880 N -5.9630 54.2570 -4.9960 N.am 124 CYS124 -0.2448 1881 CA -4.7160 53.5930 -5.4090 C.3 124 CYS124 0.0973 1882 C -3.6110 54.6150 -5.7490 C.2 124 CYS124 0.2162 1883 O -3.8920 55.5840 -6.4850 O.2 124 CYS124 -0.2780 1884 CB -4.9777 52.6784 -6.6126 C.3 124 CYS124 0.0279 1885 SG -5.9803 51.2206 -6.2210 S.3 124 CYS124 -0.0910 1886 H -6.7360 54.3310 -5.6570 H 124 CYS124 0.1312 1887 HA -4.3753 52.9838 -4.5690 H 124 CYS124 0.0566 1888 HB1 -5.4660 53.2383 -7.4106 H 124 CYS124 0.0405 1889 HB2 -4.0313 52.3210 -7.0204 H 124 CYS124 0.0405 1890 N -2.4890 54.4700 -5.2270 N.am 125 GLY125 -0.2710 1891 H1 -1.7709 55.1391 -5.4133 H 125 GLY125 0.1266 1892 H2 -2.2907 53.6986 -4.6231 H 125 GLY125 0.1266 1893 CA -9.8370 42.4390 -3.5640 Ca 126 CA126 2.0000 1894 CA -14.7440 39.6630 3.0380 Ca 127 CA127 2.0000 1895 O -13.4880 40.4800 1.4940 O.t3p 128 HOH152 -0.4105 1896 H1 -12.5380 40.4800 1.4940 H.t3p 128 HOH152 0.2052 1897 H2 -13.7340 41.3980 1.4940 H.t3p 128 HOH152 0.2052 @BOND 1 1 2 1 2 1 6 1 3 1 7 1 4 1 8 1 5 2 5 1 6 2 3 1 7 2 9 1 8 3 4 2 9 3 13 am 10 5 10 1 11 5 11 1 12 5 12 1 13 13 14 1 14 13 21 1 15 14 17 1 16 14 15 1 17 14 22 1 18 15 16 2 19 15 32 am 20 17 18 1 21 17 23 1 22 17 24 1 23 18 19 1 24 18 20 1 25 18 25 1 26 19 26 1 27 19 27 1 28 19 28 1 29 20 29 1 30 20 30 1 31 20 31 1 32 32 33 1 33 32 39 1 34 33 36 1 35 33 34 1 36 33 40 1 37 34 35 2 38 34 48 am 39 36 37 1 40 36 38 1 41 36 41 1 42 37 42 1 43 37 43 1 44 37 44 1 45 38 45 1 46 38 46 1 47 38 47 1 48 48 49 1 49 48 56 1 50 49 52 1 51 49 50 1 52 49 57 1 53 50 51 2 54 50 62 am 55 52 53 1 56 52 58 1 57 52 59 1 58 53 54 2 59 53 55 am 60 55 60 1 61 55 61 1 62 62 63 1 63 62 73 1 64 63 66 1 65 63 64 1 66 63 74 1 67 64 65 2 68 64 82 am 69 66 67 1 70 66 75 1 71 66 76 1 72 67 68 ar 73 67 69 ar 74 68 70 ar 75 68 77 1 76 69 71 ar 77 69 78 1 78 70 72 ar 79 70 79 1 80 71 72 ar 81 71 80 1 82 72 81 1 83 82 83 1 84 82 92 1 85 83 86 1 86 83 84 1 87 83 93 1 88 84 85 2 89 84 99 am 90 86 87 1 91 86 94 1 92 86 95 1 93 87 88 ar 94 87 89 ar 95 88 90 ar 96 89 91 ar 97 89 96 1 98 90 91 ar 99 90 97 1 100 91 98 1 101 99 100 1 102 99 110 1 103 100 103 1 104 100 101 1 105 100 111 1 106 101 102 2 107 101 123 am 108 103 104 1 109 103 112 1 110 103 113 1 111 104 105 1 112 104 114 1 113 104 115 1 114 105 106 1 115 105 116 1 116 105 117 1 117 106 107 ar 118 106 118 1 119 107 108 ar 120 107 109 ar 121 108 119 1 122 108 120 1 123 109 121 1 124 109 122 1 125 123 124 1 126 123 131 1 127 124 127 1 128 124 125 1 129 124 132 1 130 125 126 2 131 125 140 am 132 127 128 1 133 127 133 1 134 127 134 1 135 128 129 1 136 128 135 1 137 128 136 1 138 129 130 1 139 130 137 1 140 130 138 1 141 130 139 1 142 140 141 1 143 140 148 1 144 141 144 1 145 141 142 1 146 141 149 1 147 142 143 2 148 142 159 am 149 144 146 1 150 144 145 1 151 144 150 1 152 145 147 1 153 145 151 1 154 145 152 1 155 146 153 1 156 146 154 1 157 146 155 1 158 147 156 1 159 147 157 1 160 147 158 1 161 159 160 1 162 159 168 1 163 160 163 1 164 160 161 1 165 160 169 1 166 161 162 2 167 161 181 am 168 163 164 1 169 163 170 1 170 163 171 1 171 164 165 1 172 164 172 1 173 164 173 1 174 165 166 1 175 165 174 1 176 165 175 1 177 166 167 1 178 166 176 1 179 166 177 1 180 167 178 1 181 167 179 1 182 167 180 1 183 181 182 1 184 181 189 1 185 182 185 1 186 182 183 1 187 182 190 1 188 183 184 2 189 183 200 am 190 185 186 1 191 185 191 1 192 185 192 1 193 186 187 1 194 186 188 1 195 186 193 1 196 187 194 1 197 187 195 1 198 187 196 1 199 188 197 1 200 188 198 1 201 188 199 1 202 200 201 1 203 200 207 1 204 201 204 1 205 201 202 1 206 201 208 1 207 202 203 2 208 202 214 am 209 204 206 1 210 204 205 1 211 204 209 1 212 205 210 1 213 206 211 1 214 206 212 1 215 206 213 1 216 214 215 1 217 214 221 1 218 215 218 1 219 215 216 1 220 215 222 1 221 216 217 2 222 216 228 am 223 218 220 1 224 218 219 1 225 218 223 1 226 219 224 1 227 220 225 1 228 220 226 1 229 220 227 1 230 228 229 1 231 228 232 1 232 229 230 1 233 229 233 1 234 229 234 1 235 230 231 2 236 230 235 am 237 235 236 1 238 235 244 1 239 236 239 1 240 236 237 1 241 236 245 1 242 237 238 2 243 237 257 am 244 239 240 1 245 239 246 1 246 239 247 1 247 240 241 1 248 240 248 1 249 240 249 1 250 241 242 1 251 241 250 1 252 241 251 1 253 242 243 1 254 242 252 1 255 242 253 1 256 243 254 1 257 243 255 1 258 243 256 1 259 257 258 1 260 257 266 1 261 258 261 1 262 258 259 1 263 258 267 1 264 259 260 2 265 259 272 am 266 261 262 1 267 261 268 1 268 261 269 1 269 262 263 1 270 262 270 1 271 262 271 1 272 263 264 ar 273 263 265 ar 274 272 273 1 275 272 277 1 276 273 276 1 277 273 274 1 278 273 278 1 279 274 275 2 280 274 282 am 281 276 279 1 282 276 280 1 283 276 281 1 284 282 283 1 285 282 287 1 286 283 286 1 287 283 284 1 288 283 288 1 289 284 285 2 290 284 292 am 291 286 289 1 292 286 290 1 293 286 291 1 294 292 293 1 295 292 300 1 296 293 296 1 297 293 294 1 298 293 301 1 299 294 295 2 300 294 311 am 301 296 297 1 302 296 302 1 303 296 303 1 304 297 298 1 305 297 299 1 306 297 304 1 307 298 305 1 308 298 306 1 309 298 307 1 310 299 308 1 311 299 309 1 312 299 310 1 313 311 312 1 314 311 317 1 315 312 315 1 316 312 313 1 317 312 318 1 318 313 314 2 319 313 322 am 320 315 316 1 321 315 319 1 322 315 320 1 323 316 321 1 324 322 323 1 325 322 334 1 326 323 326 1 327 323 324 1 328 323 335 1 329 324 325 2 330 324 343 am 331 326 327 1 332 326 336 1 333 326 337 1 334 327 328 ar 335 327 329 ar 336 328 330 ar 337 328 338 1 338 329 331 ar 339 329 339 1 340 330 332 ar 341 330 340 1 342 331 332 ar 343 331 341 1 344 332 333 1 345 333 342 1 346 343 344 1 347 343 347 1 348 344 345 1 349 344 348 1 350 344 349 1 351 345 346 2 352 345 350 am 353 350 351 1 354 350 361 1 355 351 354 1 356 351 352 1 357 351 362 1 358 352 353 2 359 352 370 am 360 354 355 1 361 354 363 1 362 354 364 1 363 355 356 ar 364 355 357 ar 365 356 358 ar 366 356 365 1 367 357 359 ar 368 357 366 1 369 358 360 ar 370 358 367 1 371 359 360 ar 372 359 368 1 373 360 369 1 374 370 371 1 375 370 382 1 376 371 374 1 377 371 372 1 378 371 383 1 379 372 373 2 380 372 391 am 381 374 375 1 382 374 384 1 383 374 385 1 384 375 376 ar 385 375 377 ar 386 376 378 ar 387 376 386 1 388 377 379 ar 389 377 387 1 390 378 380 ar 391 378 388 1 392 379 380 ar 393 379 389 1 394 380 381 1 395 381 390 1 396 391 392 1 397 391 395 1 398 392 393 1 399 392 396 1 400 392 397 1 401 393 394 2 402 393 398 am 403 398 399 1 404 398 404 1 405 399 402 1 406 399 400 1 407 399 405 1 408 400 401 2 409 400 408 am 410 402 403 1 411 402 406 1 412 402 407 1 413 403 1781 1 414 408 409 1 415 408 418 1 416 409 412 1 417 409 410 1 418 409 419 1 419 410 411 2 420 410 425 am 421 412 413 1 422 412 420 1 423 412 421 1 424 413 414 ar 425 413 415 ar 426 414 416 ar 427 415 417 ar 428 415 422 1 429 416 417 ar 430 416 423 1 431 417 424 1 432 425 426 1 433 425 431 1 434 426 429 1 435 426 427 1 436 426 432 1 437 427 428 2 438 427 435 am 439 429 430 1 440 429 433 1 441 429 434 1 442 430 637 1 443 435 436 1 444 435 439 1 445 436 437 1 446 436 440 1 447 436 441 1 448 437 438 2 449 437 442 am 450 442 443 1 451 442 449 1 452 443 446 1 453 443 444 1 454 443 450 1 455 444 445 2 456 444 458 am 457 446 447 1 458 446 448 1 459 446 451 1 460 447 452 1 461 447 453 1 462 447 454 1 463 448 455 1 464 448 456 1 465 448 457 1 466 458 459 1 467 458 462 1 468 459 460 1 469 459 463 1 470 459 464 1 471 460 461 2 472 460 465 am 473 465 466 1 474 465 469 1 475 466 467 1 476 466 470 1 477 466 471 1 478 467 468 2 479 467 472 am 480 472 473 1 481 472 483 1 482 473 476 1 483 473 474 1 484 473 484 1 485 474 475 2 486 474 496 am 487 476 477 1 488 476 485 1 489 476 486 1 490 477 478 1 491 477 487 1 492 477 488 1 493 478 479 1 494 478 489 1 495 478 490 1 496 479 480 ar 497 479 491 1 498 480 481 ar 499 480 482 ar 500 481 492 1 501 481 493 1 502 482 494 1 503 482 495 1 504 496 497 1 505 496 500 1 506 497 498 1 507 497 501 1 508 497 502 1 509 498 499 2 510 498 503 am 511 503 504 1 512 503 509 1 513 504 507 1 514 504 505 1 515 504 510 1 516 505 506 2 517 505 514 am 518 507 508 1 519 507 511 1 520 507 512 1 521 508 513 1 522 514 520 1 523 514 515 1 524 515 518 1 525 515 516 1 526 515 521 1 527 516 517 2 528 516 528 am 529 518 519 1 530 518 522 1 531 518 523 1 532 519 520 1 533 519 524 1 534 519 525 1 535 520 526 1 536 520 527 1 537 528 529 1 538 528 537 1 539 529 532 1 540 529 530 1 541 529 538 1 542 530 531 2 543 530 550 am 544 532 533 1 545 532 539 1 546 532 540 1 547 533 534 1 548 533 541 1 549 533 542 1 550 534 535 1 551 534 543 1 552 534 544 1 553 535 536 1 554 535 545 1 555 535 546 1 556 536 547 1 557 536 548 1 558 536 549 1 559 550 551 1 560 550 558 1 561 551 554 1 562 551 552 1 563 551 559 1 564 552 553 2 565 552 562 am 566 554 555 1 567 554 560 1 568 554 561 1 569 555 556 ar 570 555 557 ar 571 562 563 1 572 562 567 1 573 563 566 1 574 563 564 1 575 563 568 1 576 564 565 2 577 564 572 am 578 566 569 1 579 566 570 1 580 566 571 1 581 572 573 1 582 572 579 1 583 573 576 1 584 573 574 1 585 573 580 1 586 574 575 2 587 574 586 am 588 576 578 1 589 576 577 1 590 576 581 1 591 577 582 1 592 578 583 1 593 578 584 1 594 578 585 1 595 586 587 1 596 586 594 1 597 587 590 1 598 587 588 1 599 587 595 1 600 588 589 2 601 588 598 am 602 590 591 1 603 590 596 1 604 590 597 1 605 591 592 ar 606 591 593 ar 607 598 599 1 608 598 609 1 609 599 602 1 610 599 600 1 611 599 610 1 612 600 601 2 613 600 622 am 614 602 603 1 615 602 611 1 616 602 612 1 617 603 604 1 618 603 613 1 619 603 614 1 620 604 605 1 621 604 615 1 622 604 616 1 623 605 606 ar 624 605 617 1 625 606 607 ar 626 606 608 ar 627 607 618 1 628 607 619 1 629 608 620 1 630 608 621 1 631 622 623 1 632 622 628 1 633 623 626 1 634 623 624 1 635 623 629 1 636 624 625 2 637 624 632 am 638 626 627 1 639 626 630 1 640 626 631 1 641 627 1430 1 642 632 633 1 643 632 638 1 644 633 636 1 645 633 634 1 646 633 639 1 647 634 635 2 648 634 642 am 649 636 637 1 650 636 640 1 651 636 641 1 652 642 643 1 653 642 649 1 654 643 646 1 655 643 644 1 656 643 650 1 657 644 645 2 658 644 658 am 659 646 647 1 660 646 648 1 661 646 651 1 662 647 652 1 663 647 653 1 664 647 654 1 665 648 655 1 666 648 656 1 667 648 657 1 668 658 659 1 669 658 665 1 670 659 662 1 671 659 660 1 672 659 666 1 673 660 661 2 674 660 672 am 675 662 664 1 676 662 663 1 677 662 667 1 678 663 668 1 679 664 669 1 680 664 670 1 681 664 671 1 682 672 673 1 683 672 682 1 684 673 676 1 685 673 674 1 686 673 683 1 687 674 675 2 688 674 689 am 689 676 677 1 690 676 684 1 691 676 685 1 692 677 678 ar 693 677 679 ar 694 678 680 ar 695 679 681 ar 696 679 686 1 697 680 681 ar 698 680 687 1 699 681 688 1 700 689 690 1 701 689 697 1 702 690 693 1 703 690 691 1 704 690 698 1 705 691 692 2 706 691 701 am 707 693 694 1 708 693 699 1 709 693 700 1 710 694 695 ar 711 694 696 ar 712 701 702 1 713 701 707 1 714 702 705 1 715 702 703 1 716 702 708 1 717 703 704 2 718 703 711 am 719 705 706 1 720 705 709 1 721 705 710 1 722 706 1885 1 723 711 712 1 724 711 717 1 725 712 715 1 726 712 713 1 727 712 718 1 728 713 714 2 729 713 721 am 730 715 716 1 731 715 719 1 732 715 720 1 733 716 1342 1 734 721 722 1 735 721 733 1 736 722 725 1 737 722 723 1 738 722 734 1 739 723 724 2 740 723 742 am 741 725 726 1 742 725 735 1 743 725 736 1 744 726 727 ar 745 726 728 ar 746 727 729 ar 747 727 737 1 748 728 730 ar 749 728 738 1 750 729 731 ar 751 729 739 1 752 730 731 ar 753 730 740 1 754 731 732 1 755 732 741 1 756 742 743 1 757 742 751 1 758 743 746 1 759 743 744 1 760 743 752 1 761 744 745 2 762 744 764 am 763 746 747 1 764 746 753 1 765 746 754 1 766 747 748 1 767 747 755 1 768 747 756 1 769 748 749 1 770 748 757 1 771 748 758 1 772 749 750 1 773 749 759 1 774 749 760 1 775 750 761 1 776 750 762 1 777 750 763 1 778 764 765 1 779 764 775 1 780 765 768 1 781 765 766 1 782 765 776 1 783 766 767 2 784 766 788 am 785 768 769 1 786 768 777 1 787 768 778 1 788 769 770 1 789 769 779 1 790 769 780 1 791 770 771 1 792 770 781 1 793 770 782 1 794 771 772 ar 795 771 783 1 796 772 773 ar 797 772 774 ar 798 773 784 1 799 773 785 1 800 774 786 1 801 774 787 1 802 788 789 1 803 788 796 1 804 789 792 1 805 789 790 1 806 789 797 1 807 790 791 2 808 790 807 am 809 792 793 1 810 792 798 1 811 792 799 1 812 793 794 1 813 793 795 1 814 793 800 1 815 794 801 1 816 794 802 1 817 794 803 1 818 795 804 1 819 795 805 1 820 795 806 1 821 807 808 1 822 807 816 1 823 808 811 1 824 808 809 1 825 808 817 1 826 809 810 2 827 809 822 am 828 811 812 1 829 811 818 1 830 811 819 1 831 812 813 1 832 812 820 1 833 812 821 1 834 813 814 ar 835 813 815 ar 836 822 823 1 837 822 831 1 838 823 826 1 839 823 824 1 840 823 832 1 841 824 825 2 842 824 844 am 843 826 827 1 844 826 833 1 845 826 834 1 846 827 828 1 847 827 835 1 848 827 836 1 849 828 829 1 850 828 837 1 851 828 838 1 852 829 830 1 853 829 839 1 854 829 840 1 855 830 841 1 856 830 842 1 857 830 843 1 858 844 845 1 859 844 855 1 860 845 848 1 861 845 846 1 862 845 856 1 863 846 847 2 864 846 868 am 865 848 849 1 866 848 857 1 867 848 858 1 868 849 850 1 869 849 859 1 870 849 860 1 871 850 851 1 872 850 861 1 873 850 862 1 874 851 852 ar 875 851 863 1 876 852 853 ar 877 852 854 ar 878 853 864 1 879 853 865 1 880 854 866 1 881 854 867 1 882 868 869 1 883 868 872 1 884 869 870 1 885 869 873 1 886 869 874 1 887 870 871 2 888 870 875 am 889 875 876 1 890 875 881 1 891 876 879 1 892 876 877 1 893 876 882 1 894 877 878 2 895 877 885 am 896 879 880 1 897 879 883 1 898 879 884 1 899 880 1236 1 900 885 886 1 901 885 889 1 902 886 887 1 903 886 890 1 904 886 891 1 905 887 888 2 906 887 892 am 907 892 893 1 908 892 899 1 909 893 896 1 910 893 894 1 911 893 900 1 912 894 895 2 913 894 906 am 914 896 898 1 915 896 897 1 916 896 901 1 917 897 902 1 918 898 903 1 919 898 904 1 920 898 905 1 921 906 907 1 922 906 915 1 923 907 910 1 924 907 908 1 925 907 916 1 926 908 909 2 927 908 928 am 928 910 911 1 929 910 917 1 930 910 918 1 931 911 912 1 932 911 919 1 933 911 920 1 934 912 913 1 935 912 921 1 936 912 922 1 937 913 914 1 938 913 923 1 939 913 924 1 940 914 925 1 941 914 926 1 942 914 927 1 943 928 929 1 944 928 939 1 945 929 932 1 946 929 930 1 947 929 940 1 948 930 931 2 949 930 948 am 950 932 933 1 951 932 941 1 952 932 942 1 953 933 934 ar 954 933 935 ar 955 934 936 ar 956 934 943 1 957 935 937 ar 958 935 944 1 959 936 938 ar 960 936 945 1 961 937 938 ar 962 937 946 1 963 938 947 1 964 948 949 1 965 948 956 1 966 949 952 1 967 949 950 1 968 949 957 1 969 950 951 2 970 950 967 am 971 952 953 1 972 952 958 1 973 952 959 1 974 953 954 1 975 953 955 1 976 953 960 1 977 954 961 1 978 954 962 1 979 954 963 1 980 955 964 1 981 955 965 1 982 955 966 1 983 967 968 1 984 967 973 1 985 968 971 1 986 968 969 1 987 968 974 1 988 969 970 2 989 969 978 am 990 971 972 1 991 971 975 1 992 971 976 1 993 972 977 1 994 978 979 1 995 978 990 1 996 979 982 1 997 979 980 1 998 979 991 1 999 980 981 2 1000 980 999 am 1001 982 983 1 1002 982 992 1 1003 982 993 1 1004 983 984 ar 1005 983 985 ar 1006 984 986 ar 1007 984 994 1 1008 985 987 ar 1009 985 995 1 1010 986 988 ar 1011 986 996 1 1012 987 988 ar 1013 987 997 1 1014 988 989 1 1015 989 998 1 1016 999 1000 1 1017 999 1008 1 1018 1000 1003 1 1019 1000 1001 1 1020 1000 1009 1 1021 1001 1002 2 1022 1001 1021 am 1023 1003 1004 1 1024 1003 1010 1 1025 1003 1011 1 1026 1004 1005 1 1027 1004 1012 1 1028 1004 1013 1 1029 1005 1006 1 1030 1005 1014 1 1031 1005 1015 1 1032 1006 1007 1 1033 1006 1016 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1092 1070 1074 1 1093 1070 1075 1 1094 1071 1076 1 1095 1077 1078 1 1096 1077 1081 1 1097 1078 1079 1 1098 1078 1082 1 1099 1078 1083 1 1100 1079 1080 2 1101 1079 1084 am 1102 1084 1085 1 1103 1084 1090 1 1104 1085 1088 1 1105 1085 1086 1 1106 1085 1091 1 1107 1086 1087 2 1108 1086 1095 am 1109 1088 1089 1 1110 1088 1092 1 1111 1088 1093 1 1112 1089 1094 1 1113 1095 1096 1 1114 1095 1106 1 1115 1096 1099 1 1116 1096 1097 1 1117 1096 1107 1 1118 1097 1098 2 1119 1097 1119 am 1120 1099 1100 1 1121 1099 1108 1 1122 1099 1109 1 1123 1100 1101 1 1124 1100 1110 1 1125 1100 1111 1 1126 1101 1102 1 1127 1101 1112 1 1128 1101 1113 1 1129 1102 1103 ar 1130 1102 1114 1 1131 1103 1104 ar 1132 1103 1105 ar 1133 1104 1115 1 1134 1104 1116 1 1135 1105 1117 1 1136 1105 1118 1 1137 1119 1120 1 1138 1119 1127 1 1139 1120 1123 1 1140 1120 1121 1 1141 1120 1128 1 1142 1121 1122 2 1143 1121 1138 am 1144 1123 1125 1 1145 1123 1124 1 1146 1123 1129 1 1147 1124 1126 1 1148 1124 1130 1 1149 1124 1131 1 1150 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1881 1884 1 1909 1881 1882 1 1910 1881 1887 1 1911 1882 1890 am 1912 1882 1883 2 1913 1884 1885 1 1914 1884 1888 1 1915 1884 1889 1 1916 1890 1891 1 1917 1890 1892 1 1918 1895 1896 1 1919 1895 1897 1 @SUBSTRUCTURE 1 ALA1 2 RESIDUE 1 B ALA 1 ROOT 2 LEU2 14 RESIDUE 1 B LEU 2 3 VAL3 33 RESIDUE 1 B VAL 2 4 ASN4 49 RESIDUE 1 B ASN 2 5 PHE5 63 RESIDUE 1 B PHE 2 6 HIS6 83 RESIDUE 1 B HIS 2 7 ARG7 100 RESIDUE 1 B ARG 2 8 MET8 124 RESIDUE 1 B MET 2 9 ILE9 141 RESIDUE 1 B ILE 2 10 LYS10 160 RESIDUE 1 B LYS 2 11 LEU11 182 RESIDUE 1 B LEU 2 12 THR12 201 RESIDUE 1 B THR 2 13 THR13 215 RESIDUE 1 B THR 2 14 GLY14 229 RESIDUE 1 B GLY 2 15 LYS15 236 RESIDUE 1 B LYS 2 16 GLU16 258 RESIDUE 1 B GLU 2 17 ALA17 273 RESIDUE 1 B ALA 2 18 ALA18 283 RESIDUE 1 B ALA 2 19 LEU19 293 RESIDUE 1 B LEU 2 20 SER20 312 RESIDUE 1 B SER 2 21 TYR21 323 RESIDUE 1 B TYR 2 22 GLY22 344 RESIDUE 1 B GLY 2 23 PHE23 351 RESIDUE 1 B PHE 2 24 TYR24 371 RESIDUE 1 B TYR 2 25 GLY25 392 RESIDUE 1 B GLY 2 26 CYS26 399 RESIDUE 1 B CYS 3 27 HIS27 409 RESIDUE 1 B HIS 2 28 CYS28 426 RESIDUE 1 B CYS 3 29 GLY29 436 RESIDUE 1 B GLY 2 30 VAL30 443 RESIDUE 1 B VAL 2 31 GLY31 459 RESIDUE 1 B GLY 2 32 GLY32 466 RESIDUE 1 B GLY 2 33 ARG33 473 RESIDUE 1 B ARG 2 34 GLY34 497 RESIDUE 1 B GLY 2 35 SER35 504 RESIDUE 1 B SER 2 36 PRO36 515 RESIDUE 1 B PRO 2 37 LYS37 529 RESIDUE 1 B LYS 2 38 ASP38 551 RESIDUE 1 B ASP 2 39 ALA39 563 RESIDUE 1 B ALA 2 40 THR40 573 RESIDUE 1 B THR 2 41 ASP41 587 RESIDUE 1 B ASP 2 42 ARG42 599 RESIDUE 1 B ARG 2 43 CYS43 623 RESIDUE 1 B CYS 3 44 CYS44 633 RESIDUE 1 B CYS 3 45 VAL45 643 RESIDUE 1 B VAL 2 46 THR46 659 RESIDUE 1 B THR 2 47 HIS47 673 RESIDUE 1 B HIS 2 48 ASP48 690 RESIDUE 1 B ASP 2 49 CYS49 702 RESIDUE 1 B CYS 3 50 CYS50 712 RESIDUE 1 B CYS 3 51 TYR51 722 RESIDUE 1 B TYR 2 52 LYS52 743 RESIDUE 1 B LYS 2 53 ARG53 765 RESIDUE 1 B ARG 2 54 LEU54 789 RESIDUE 1 B LEU 2 55 GLU55 808 RESIDUE 1 B GLU 2 56 LYS56 823 RESIDUE 1 B LYS 2 57 ARG57 845 RESIDUE 1 B ARG 2 58 GLY58 869 RESIDUE 1 B GLY 2 59 CYS59 876 RESIDUE 1 B CYS 3 60 GLY60 886 RESIDUE 1 B GLY 2 61 THR61 893 RESIDUE 1 B THR 2 62 LYS62 907 RESIDUE 1 B LYS 2 63 PHE63 929 RESIDUE 1 B PHE 2 64 LEU64 949 RESIDUE 1 B LEU 2 65 SER65 968 RESIDUE 1 B SER 2 66 TYR66 979 RESIDUE 1 B TYR 2 67 LYS67 1000 RESIDUE 1 B LYS 2 68 PHE68 1022 RESIDUE 1 B PHE 2 69 SER69 1042 RESIDUE 1 B SER 2 70 ASN70 1053 RESIDUE 1 B ASN 2 71 SER71 1067 RESIDUE 1 B SER 2 72 GLY72 1078 RESIDUE 1 B GLY 2 73 SER73 1085 RESIDUE 1 B SER 2 74 ARG74 1096 RESIDUE 1 B ARG 2 75 ILE75 1120 RESIDUE 1 B ILE 2 76 SER76 1139 RESIDUE 1 B SER 2 77 CYS77 1150 RESIDUE 1 B CYS 3 78 ALA78 1160 RESIDUE 1 B ALA 2 79 LYS79 1170 RESIDUE 1 B LYS 2 80 GLN80 1192 RESIDUE 1 B GLN 2 81 ASP81 1209 RESIDUE 1 B ASP 2 82 SER82 1221 RESIDUE 1 B SER 2 83 CYS83 1232 RESIDUE 1 B CYS 3 84 ARG84 1242 RESIDUE 1 B ARG 2 85 SER85 1266 RESIDUE 1 B SER 2 86 GLN86 1277 RESIDUE 1 B GLN 2 87 LEU87 1294 RESIDUE 1 B LEU 2 88 CYS88 1313 RESIDUE 1 B CYS 3 89 GLU89 1323 RESIDUE 1 B GLU 2 90 CYS90 1338 RESIDUE 1 B CYS 3 91 ASP91 1348 RESIDUE 1 B ASP 2 92 LYS92 1360 RESIDUE 1 B LYS 2 93 ALA93 1382 RESIDUE 1 B ALA 2 94 ALA94 1392 RESIDUE 1 B ALA 2 95 ALA95 1402 RESIDUE 1 B ALA 2 96 THR96 1412 RESIDUE 1 B THR 2 97 CYS97 1426 RESIDUE 1 B CYS 3 98 PHE98 1436 RESIDUE 1 B PHE 2 99 ALA99 1456 RESIDUE 1 B ALA 2 100 ARG100 1466 RESIDUE 1 B ARG 2 101 ASN101 1490 RESIDUE 1 B ASN 2 102 LYS102 1504 RESIDUE 1 B LYS 2 103 THR103 1526 RESIDUE 1 B THR 2 104 THR104 1540 RESIDUE 1 B THR 2 105 TYR105 1554 RESIDUE 1 B TYR 2 106 ASN106 1575 RESIDUE 1 B ASN 2 107 LYS107 1589 RESIDUE 1 B LYS 2 108 LYS108 1611 RESIDUE 1 B LYS 2 109 TYR109 1633 RESIDUE 1 B TYR 2 110 GLN110 1654 RESIDUE 1 B GLN 2 111 TYR111 1671 RESIDUE 1 B TYR 2 112 TYR112 1692 RESIDUE 1 B TYR 2 113 SER113 1713 RESIDUE 1 B SER 2 114 ASN114 1724 RESIDUE 1 B ASN 2 115 LYS115 1738 RESIDUE 1 B LYS 2 116 HIS116 1760 RESIDUE 1 B HIS 2 117 CYS117 1777 RESIDUE 1 B CYS 3 118 ARG118 1787 RESIDUE 1 B ARG 2 119 GLY119 1811 RESIDUE 1 B GLY 2 120 SER120 1818 RESIDUE 1 B SER 2 121 THR121 1829 RESIDUE 1 B THR 2 122 PRO122 1843 RESIDUE 1 B PRO 2 123 ARG123 1857 RESIDUE 1 B ARG 2 124 CYS124 1881 RESIDUE 1 B CYS 3 125 GLY125 1890 RESIDUE 1 B GLY 1 126 CA126 1893 RESIDUE 1 B CA 0 ROOT 127 CA127 1894 RESIDUE 1 B CA 0 ROOT 128 HOH152 1895 RESIDUE 1 B HOH 0 ROOT