Browse entries in the PDBbind-CN Database
HEADER 2L11_COMPLEX COMPND 2L11_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 54 GLY GLU PHE VAL VAL GLU LYS VAL LEU ASP ARG ARG VAL SEQRES 2 A 54 VAL ASN GLY LYS VAL GLU TYR PHE LEU LYS TRP LYS GLY SEQRES 3 A 54 PHE THR ASP ALA ASP ASN THR TRP GLU PRO GLU GLU ASN SEQRES 4 A 54 LEU ASP CYS PRO GLU LEU ILE GLU ALA PHE LEU ASN SER SEQRES 5 A 54 GLN LYS HET ALA A 55 240 ATOM 1 N GLY A 1 2.168 2.170 2.887 1.00 0.00 N ATOM 2 CA GLY A 1 2.395 2.497 1.464 1.00 0.00 C ATOM 3 C GLY A 1 3.854 2.352 1.067 1.00 0.00 C ATOM 4 O GLY A 1 4.744 2.810 1.794 1.00 0.00 O ATOM 5 HA3 GLY A 1 2.083 3.526 1.286 1.00 0.00 H ATOM 6 HA2 GLY A 1 1.795 1.826 0.849 1.00 0.00 H ATOM 7 HN3 GLY A 1 2.730 2.811 3.483 1.00 0.00 H ATOM 8 HN2 GLY A 1 2.456 1.187 3.066 1.00 0.00 H ATOM 9 HN1 GLY A 1 1.159 2.283 3.111 1.00 0.00 H ATOM 10 N GLU A 2 4.108 1.710 -0.084 1.00 0.00 N ATOM 11 CA GLU A 2 5.453 1.596 -0.666 1.00 0.00 C ATOM 12 C GLU A 2 5.578 2.634 -1.786 1.00 0.00 C ATOM 13 O GLU A 2 4.940 2.498 -2.840 1.00 0.00 O ATOM 14 CB GLU A 2 5.681 0.175 -1.224 1.00 0.00 C ATOM 15 CG GLU A 2 7.075 -0.055 -1.832 1.00 0.00 C ATOM 16 CD GLU A 2 7.245 -1.475 -2.388 1.00 0.00 C ATOM 17 OE1 GLU A 2 7.344 -2.424 -1.582 1.00 0.00 O ATOM 18 OE2 GLU A 2 7.273 -1.658 -3.627 1.00 0.00 O ATOM 19 HA GLU A 2 6.207 1.778 0.100 1.00 0.00 H ATOM 20 HB2 GLU A 2 5.542 -0.537 -0.410 1.00 0.00 H ATOM 21 HB3 GLU A 2 4.937 -0.011 -1.998 1.00 0.00 H ATOM 22 HG2 GLU A 2 7.226 0.659 -2.642 1.00 0.00 H ATOM 23 HG3 GLU A 2 7.826 0.111 -1.059 1.00 0.00 H ATOM 24 H GLU A 2 3.313 1.271 -0.590 1.00 0.00 H ATOM 25 N PHE A 3 6.373 3.678 -1.542 1.00 0.00 N ATOM 26 CA PHE A 3 6.482 4.838 -2.439 1.00 0.00 C ATOM 27 C PHE A 3 7.825 4.806 -3.190 1.00 0.00 C ATOM 28 O PHE A 3 8.832 4.311 -2.667 1.00 0.00 O ATOM 29 CB PHE A 3 6.327 6.142 -1.611 1.00 0.00 C ATOM 30 CG PHE A 3 5.097 6.151 -0.706 1.00 0.00 C ATOM 31 CD1 PHE A 3 3.814 6.165 -1.245 1.00 0.00 C ATOM 32 CD2 PHE A 3 5.224 6.139 0.678 1.00 0.00 C ATOM 33 CE1 PHE A 3 2.704 6.171 -0.425 1.00 0.00 C ATOM 34 CE2 PHE A 3 4.112 6.146 1.498 1.00 0.00 C ATOM 35 CZ PHE A 3 2.853 6.161 0.945 1.00 0.00 C ATOM 36 HA PHE A 3 5.687 4.804 -3.184 1.00 0.00 H ATOM 37 HB2 PHE A 3 7.214 6.262 -0.989 1.00 0.00 H ATOM 38 HB3 PHE A 3 6.253 6.982 -2.302 1.00 0.00 H ATOM 39 HD2 PHE A 3 6.218 6.124 1.124 1.00 0.00 H ATOM 40 HE2 PHE A 3 4.232 6.140 2.581 1.00 0.00 H ATOM 41 HZ PHE A 3 1.974 6.165 1.590 1.00 0.00 H ATOM 42 HE1 PHE A 3 1.706 6.184 -0.863 1.00 0.00 H ATOM 43 HD1 PHE A 3 3.684 6.171 -2.327 1.00 0.00 H ATOM 44 H PHE A 3 6.945 3.671 -0.673 1.00 0.00 H ATOM 45 N VAL A 4 7.817 5.317 -4.430 1.00 0.00 N ATOM 46 CA VAL A 4 9.007 5.377 -5.278 1.00 0.00 C ATOM 47 C VAL A 4 9.908 6.554 -4.855 1.00 0.00 C ATOM 48 O VAL A 4 9.473 7.717 -4.816 1.00 0.00 O ATOM 49 CB VAL A 4 8.622 5.454 -6.807 1.00 0.00 C ATOM 50 CG1 VAL A 4 7.671 6.638 -7.129 1.00 0.00 C ATOM 51 CG2 VAL A 4 9.887 5.469 -7.703 1.00 0.00 C ATOM 52 HA VAL A 4 9.572 4.455 -5.141 1.00 0.00 H ATOM 53 HB VAL A 4 8.062 4.548 -7.036 1.00 0.00 H ATOM 54 HG11 VAL A 4 6.749 6.528 -6.558 1.00 0.00 H ATOM 55 HG12 VAL A 4 8.157 7.576 -6.860 1.00 0.00 H ATOM 56 HG13 VAL A 4 7.442 6.639 -8.195 1.00 0.00 H ATOM 57 HG21 VAL A 4 10.497 6.337 -7.453 1.00 0.00 H ATOM 58 HG22 VAL A 4 10.461 4.558 -7.534 1.00 0.00 H ATOM 59 HG23 VAL A 4 9.589 5.522 -8.750 1.00 0.00 H ATOM 60 H VAL A 4 6.922 5.688 -4.807 1.00 0.00 H ATOM 61 N VAL A 5 11.141 6.214 -4.460 1.00 0.00 N ATOM 62 CA VAL A 5 12.210 7.183 -4.177 1.00 0.00 C ATOM 63 C VAL A 5 13.060 7.396 -5.441 1.00 0.00 C ATOM 64 O VAL A 5 13.362 6.446 -6.172 1.00 0.00 O ATOM 65 CB VAL A 5 13.106 6.737 -2.952 1.00 0.00 C ATOM 66 CG1 VAL A 5 13.642 5.295 -3.108 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.266 7.740 -2.688 1.00 0.00 C ATOM 68 HA VAL A 5 11.748 8.129 -3.894 1.00 0.00 H ATOM 69 HB VAL A 5 12.455 6.744 -2.078 1.00 0.00 H ATOM 70 HG11 VAL A 5 12.803 4.603 -3.182 1.00 0.00 H ATOM 71 HG12 VAL A 5 14.249 5.230 -4.011 1.00 0.00 H ATOM 72 HG13 VAL A 5 14.250 5.039 -2.241 1.00 0.00 H ATOM 73 HG21 VAL A 5 14.900 7.801 -3.572 1.00 0.00 H ATOM 74 HG22 VAL A 5 13.851 8.724 -2.469 1.00 0.00 H ATOM 75 HG23 VAL A 5 14.856 7.396 -1.839 1.00 0.00 H ATOM 76 H VAL A 5 11.356 5.203 -4.346 1.00 0.00 H ATOM 77 N GLU A 6 13.400 8.664 -5.701 1.00 0.00 N ATOM 78 CA GLU A 6 14.247 9.064 -6.836 1.00 0.00 C ATOM 79 C GLU A 6 15.736 8.834 -6.516 1.00 0.00 C ATOM 80 O GLU A 6 16.457 8.205 -7.302 1.00 0.00 O ATOM 81 CB GLU A 6 14.003 10.556 -7.172 1.00 0.00 C ATOM 82 CG GLU A 6 14.857 11.108 -8.328 1.00 0.00 C ATOM 83 CD GLU A 6 14.560 12.573 -8.637 1.00 0.00 C ATOM 84 OE1 GLU A 6 13.520 12.851 -9.264 1.00 0.00 O ATOM 85 OE2 GLU A 6 15.351 13.459 -8.251 1.00 0.00 O ATOM 86 HA GLU A 6 13.983 8.451 -7.698 1.00 0.00 H ATOM 87 HB2 GLU A 6 12.953 10.676 -7.439 1.00 0.00 H ATOM 88 HB3 GLU A 6 14.219 11.144 -6.280 1.00 0.00 H ATOM 89 HG2 GLU A 6 15.909 11.015 -8.059 1.00 0.00 H ATOM 90 HG3 GLU A 6 14.658 10.516 -9.222 1.00 0.00 H ATOM 91 H GLU A 6 13.046 9.408 -5.066 1.00 0.00 H ATOM 92 N LYS A 7 16.180 9.366 -5.349 1.00 0.00 N ATOM 93 CA LYS A 7 17.611 9.396 -4.964 1.00 0.00 C ATOM 94 C LYS A 7 17.784 9.615 -3.448 1.00 0.00 C ATOM 95 O LYS A 7 16.822 9.917 -2.739 1.00 0.00 O ATOM 96 CB LYS A 7 18.343 10.510 -5.759 1.00 0.00 C ATOM 97 CG LYS A 7 17.876 11.948 -5.426 1.00 0.00 C ATOM 98 CD LYS A 7 18.422 13.007 -6.403 1.00 0.00 C ATOM 99 CE LYS A 7 19.957 12.999 -6.522 1.00 0.00 C ATOM 100 NZ LYS A 7 20.440 13.981 -7.522 1.00 0.00 N ATOM 101 HA LYS A 7 18.051 8.429 -5.208 1.00 0.00 H ATOM 102 HB2 LYS A 7 19.409 10.439 -5.542 1.00 0.00 H ATOM 103 HB3 LYS A 7 18.177 10.335 -6.822 1.00 0.00 H ATOM 104 HG2 LYS A 7 16.787 11.975 -5.459 1.00 0.00 H ATOM 105 HG3 LYS A 7 18.214 12.198 -4.420 1.00 0.00 H ATOM 106 HD2 LYS A 7 17.998 12.818 -7.389 1.00 0.00 H ATOM 107 HD3 LYS A 7 18.108 13.991 -6.056 1.00 0.00 H ATOM 108 HE2 LYS A 7 20.282 12.003 -6.821 1.00 0.00 H ATOM 109 HE3 LYS A 7 20.387 13.244 -5.551 1.00 0.00 H ATOM 110 HZ1 LYS A 7 20.040 13.751 -8.454 1.00 0.00 H ATOM 111 HZ2 LYS A 7 20.140 14.936 -7.241 1.00 0.00 H ATOM 112 HZ3 LYS A 7 21.478 13.943 -7.570 1.00 0.00 H ATOM 113 H LYS A 7 15.482 9.772 -4.693 1.00 0.00 H ATOM 114 N VAL A 8 19.026 9.439 -2.966 1.00 0.00 N ATOM 115 CA VAL A 8 19.419 9.757 -1.580 1.00 0.00 C ATOM 116 C VAL A 8 20.140 11.120 -1.555 1.00 0.00 C ATOM 117 O VAL A 8 20.884 11.460 -2.484 1.00 0.00 O ATOM 118 CB VAL A 8 20.353 8.645 -0.969 1.00 0.00 C ATOM 119 CG1 VAL A 8 20.755 8.979 0.489 1.00 0.00 C ATOM 120 CG2 VAL A 8 19.704 7.237 -1.058 1.00 0.00 C ATOM 121 HA VAL A 8 18.516 9.800 -0.971 1.00 0.00 H ATOM 122 HB VAL A 8 21.262 8.627 -1.570 1.00 0.00 H ATOM 123 HG11 VAL A 8 21.290 9.929 0.509 1.00 0.00 H ATOM 124 HG12 VAL A 8 19.858 9.053 1.104 1.00 0.00 H ATOM 125 HG13 VAL A 8 21.399 8.190 0.877 1.00 0.00 H ATOM 126 HG21 VAL A 8 18.763 7.236 -0.507 1.00 0.00 H ATOM 127 HG22 VAL A 8 19.515 6.991 -2.103 1.00 0.00 H ATOM 128 HG23 VAL A 8 20.380 6.499 -0.626 1.00 0.00 H ATOM 129 H VAL A 8 19.751 9.057 -3.606 1.00 0.00 H ATOM 130 N LEU A 9 19.891 11.889 -0.486 1.00 0.00 N ATOM 131 CA LEU A 9 20.500 13.208 -0.256 1.00 0.00 C ATOM 132 C LEU A 9 21.535 13.160 0.892 1.00 0.00 C ATOM 133 O LEU A 9 22.594 13.805 0.796 1.00 0.00 O ATOM 134 CB LEU A 9 19.410 14.276 0.051 1.00 0.00 C ATOM 135 CG LEU A 9 18.352 14.538 -1.075 1.00 0.00 C ATOM 136 CD1 LEU A 9 17.386 15.678 -0.689 1.00 0.00 C ATOM 137 CD2 LEU A 9 19.018 14.804 -2.445 1.00 0.00 C ATOM 138 HA LEU A 9 21.020 13.490 -1.171 1.00 0.00 H ATOM 139 HB2 LEU A 9 18.872 13.954 0.943 1.00 0.00 H ATOM 140 HB3 LEU A 9 19.918 15.219 0.255 1.00 0.00 H ATOM 141 HG LEU A 9 17.763 13.626 -1.176 1.00 0.00 H ATOM 142 HD21 LEU A 9 19.661 15.681 -2.371 1.00 0.00 H ATOM 143 HD22 LEU A 9 19.614 13.938 -2.732 1.00 0.00 H ATOM 144 HD23 LEU A 9 18.246 14.980 -3.195 1.00 0.00 H ATOM 145 HD11 LEU A 9 16.858 15.411 0.226 1.00 0.00 H ATOM 146 HD12 LEU A 9 17.954 16.595 -0.528 1.00 0.00 H ATOM 147 HD13 LEU A 9 16.667 15.831 -1.494 1.00 0.00 H ATOM 148 H LEU A 9 19.224 11.530 0.227 1.00 0.00 H ATOM 149 N ASP A 10 21.234 12.394 1.975 1.00 0.00 N ATOM 150 CA ASP A 10 22.083 12.360 3.200 1.00 0.00 C ATOM 151 C ASP A 10 21.915 11.018 3.953 1.00 0.00 C ATOM 152 O ASP A 10 21.026 10.237 3.625 1.00 0.00 O ATOM 153 CB ASP A 10 21.754 13.569 4.119 1.00 0.00 C ATOM 154 CG ASP A 10 22.812 13.817 5.210 1.00 0.00 C ATOM 155 OD1 ASP A 10 23.933 14.240 4.872 1.00 0.00 O ATOM 156 OD2 ASP A 10 22.541 13.593 6.405 1.00 0.00 O ATOM 157 HA ASP A 10 23.128 12.438 2.899 1.00 0.00 H ATOM 158 HB2 ASP A 10 21.680 14.463 3.500 1.00 0.00 H ATOM 159 HB3 ASP A 10 20.795 13.384 4.603 1.00 0.00 H ATOM 160 H ASP A 10 20.376 11.807 1.947 1.00 0.00 H ATOM 161 N ARG A 11 22.824 10.737 4.912 1.00 0.00 N ATOM 162 CA ARG A 11 22.829 9.502 5.738 1.00 0.00 C ATOM 163 C ARG A 11 23.253 9.827 7.189 1.00 0.00 C ATOM 164 O ARG A 11 24.042 10.753 7.422 1.00 0.00 O ATOM 165 CB ARG A 11 23.807 8.479 5.099 1.00 0.00 C ATOM 166 CG ARG A 11 24.112 7.185 5.897 1.00 0.00 C ATOM 167 CD ARG A 11 25.131 6.276 5.167 1.00 0.00 C ATOM 168 NE ARG A 11 25.575 5.127 5.986 1.00 0.00 N ATOM 169 CZ ARG A 11 26.082 3.973 5.502 1.00 0.00 C ATOM 170 NH1 ARG A 11 26.158 3.751 4.195 1.00 0.00 N ATOM 171 NH2 ARG A 11 26.495 3.039 6.345 1.00 0.00 N ATOM 172 HA ARG A 11 21.826 9.076 5.770 1.00 0.00 H ATOM 173 HB2 ARG A 11 23.385 8.179 4.139 1.00 0.00 H ATOM 174 HB3 ARG A 11 24.754 8.992 4.934 1.00 0.00 H ATOM 175 HG2 ARG A 11 24.520 7.460 6.870 1.00 0.00 H ATOM 176 HG3 ARG A 11 23.184 6.631 6.037 1.00 0.00 H ATOM 177 HD2 ARG A 11 26.004 6.874 4.905 1.00 0.00 H ATOM 178 HD3 ARG A 11 24.667 5.895 4.257 1.00 0.00 H ATOM 179 HE ARG A 11 25.490 5.215 7.019 1.00 0.00 H ATOM 180 HH12 ARG A 11 26.552 2.856 3.842 1.00 0.00 H ATOM 181 HH11 ARG A 11 25.824 4.473 3.525 1.00 0.00 H ATOM 182 HH22 ARG A 11 26.887 2.147 5.981 1.00 0.00 H ATOM 183 HH21 ARG A 11 26.427 3.198 7.371 1.00 0.00 H ATOM 184 H ARG A 11 23.575 11.436 5.085 1.00 0.00 H ATOM 185 N ARG A 12 22.710 9.051 8.146 1.00 0.00 N ATOM 186 CA ARG A 12 23.072 9.103 9.578 1.00 0.00 C ATOM 187 C ARG A 12 22.824 7.720 10.216 1.00 0.00 C ATOM 188 O ARG A 12 22.301 6.810 9.560 1.00 0.00 O ATOM 189 CB ARG A 12 22.248 10.204 10.316 1.00 0.00 C ATOM 190 CG ARG A 12 20.757 9.858 10.561 1.00 0.00 C ATOM 191 CD ARG A 12 19.969 11.027 11.180 1.00 0.00 C ATOM 192 NE ARG A 12 20.520 11.458 12.478 1.00 0.00 N ATOM 193 CZ ARG A 12 20.148 12.555 13.158 1.00 0.00 C ATOM 194 NH1 ARG A 12 19.162 13.339 12.723 1.00 0.00 N ATOM 195 NH2 ARG A 12 20.754 12.842 14.298 1.00 0.00 N ATOM 196 HA ARG A 12 24.128 9.358 9.671 1.00 0.00 H ATOM 197 HB2 ARG A 12 22.716 10.384 11.284 1.00 0.00 H ATOM 198 HB3 ARG A 12 22.290 11.115 9.718 1.00 0.00 H ATOM 199 HG2 ARG A 12 20.299 9.594 9.608 1.00 0.00 H ATOM 200 HG3 ARG A 12 20.703 9.004 11.237 1.00 0.00 H ATOM 201 HD2 ARG A 12 18.935 10.713 11.326 1.00 0.00 H ATOM 202 HD3 ARG A 12 19.997 11.871 10.491 1.00 0.00 H ATOM 203 HE ARG A 12 21.259 10.862 12.903 1.00 0.00 H ATOM 204 HH12 ARG A 12 18.891 14.183 13.266 1.00 0.00 H ATOM 205 HH11 ARG A 12 18.664 13.106 11.840 1.00 0.00 H ATOM 206 HH22 ARG A 12 20.477 13.688 14.836 1.00 0.00 H ATOM 207 HH21 ARG A 12 21.508 12.222 14.657 1.00 0.00 H ATOM 208 H ARG A 12 21.983 8.366 7.857 1.00 0.00 H ATOM 209 N VAL A 13 23.211 7.567 11.495 1.00 0.00 N ATOM 210 CA VAL A 13 22.965 6.343 12.284 1.00 0.00 C ATOM 211 C VAL A 13 22.178 6.695 13.562 1.00 0.00 C ATOM 212 O VAL A 13 22.666 7.440 14.419 1.00 0.00 O ATOM 213 CB VAL A 13 24.307 5.605 12.658 1.00 0.00 C ATOM 214 CG1 VAL A 13 24.058 4.378 13.573 1.00 0.00 C ATOM 215 CG2 VAL A 13 25.076 5.187 11.385 1.00 0.00 C ATOM 216 HA VAL A 13 22.378 5.661 11.668 1.00 0.00 H ATOM 217 HB VAL A 13 24.919 6.312 13.219 1.00 0.00 H ATOM 218 HG11 VAL A 13 23.580 4.706 14.496 1.00 0.00 H ATOM 219 HG12 VAL A 13 23.410 3.668 13.059 1.00 0.00 H ATOM 220 HG13 VAL A 13 25.010 3.900 13.805 1.00 0.00 H ATOM 221 HG21 VAL A 13 24.457 4.513 10.793 1.00 0.00 H ATOM 222 HG22 VAL A 13 25.314 6.074 10.798 1.00 0.00 H ATOM 223 HG23 VAL A 13 25.998 4.680 11.669 1.00 0.00 H ATOM 224 H VAL A 13 23.711 8.355 11.954 1.00 0.00 H ATOM 225 N VAL A 14 20.946 6.164 13.663 1.00 0.00 N ATOM 226 CA VAL A 14 20.070 6.330 14.834 1.00 0.00 C ATOM 227 C VAL A 14 19.774 4.947 15.452 1.00 0.00 C ATOM 228 O VAL A 14 19.246 4.060 14.765 1.00 0.00 O ATOM 229 CB VAL A 14 18.718 7.040 14.446 1.00 0.00 C ATOM 230 CG1 VAL A 14 17.750 7.131 15.652 1.00 0.00 C ATOM 231 CG2 VAL A 14 18.970 8.439 13.825 1.00 0.00 C ATOM 232 HA VAL A 14 20.584 6.961 15.559 1.00 0.00 H ATOM 233 HB VAL A 14 18.238 6.421 13.688 1.00 0.00 H ATOM 234 HG11 VAL A 14 17.520 6.127 16.008 1.00 0.00 H ATOM 235 HG12 VAL A 14 18.221 7.703 16.452 1.00 0.00 H ATOM 236 HG13 VAL A 14 16.830 7.627 15.342 1.00 0.00 H ATOM 237 HG21 VAL A 14 19.496 9.066 14.546 1.00 0.00 H ATOM 238 HG22 VAL A 14 19.575 8.332 12.925 1.00 0.00 H ATOM 239 HG23 VAL A 14 18.015 8.899 13.570 1.00 0.00 H ATOM 240 H VAL A 14 20.591 5.601 12.864 1.00 0.00 H ATOM 241 N ASN A 15 20.141 4.787 16.743 1.00 0.00 N ATOM 242 CA ASN A 15 19.881 3.569 17.556 1.00 0.00 C ATOM 243 C ASN A 15 20.621 2.327 17.004 1.00 0.00 C ATOM 244 O ASN A 15 20.233 1.185 17.277 1.00 0.00 O ATOM 245 CB ASN A 15 18.351 3.303 17.702 1.00 0.00 C ATOM 246 CG ASN A 15 17.592 4.454 18.373 1.00 0.00 C ATOM 247 OD1 ASN A 15 18.139 5.187 19.200 1.00 0.00 O ATOM 248 ND2 ASN A 15 16.327 4.625 18.020 1.00 0.00 N ATOM 249 HA ASN A 15 20.284 3.758 18.551 1.00 0.00 H ATOM 250 HB2 ASN A 15 17.931 3.145 16.708 1.00 0.00 H ATOM 251 HB3 ASN A 15 18.212 2.403 18.300 1.00 0.00 H ATOM 252 HD22 ASN A 15 15.892 3.991 17.320 1.00 0.00 H ATOM 253 HD21 ASN A 15 15.768 5.393 18.443 1.00 0.00 H ATOM 254 H ASN A 15 20.642 5.574 17.202 1.00 0.00 H ATOM 255 N GLY A 16 21.711 2.576 16.256 1.00 0.00 N ATOM 256 CA GLY A 16 22.498 1.510 15.619 1.00 0.00 C ATOM 257 C GLY A 16 22.088 1.233 14.170 1.00 0.00 C ATOM 258 O GLY A 16 22.880 0.707 13.380 1.00 0.00 O ATOM 259 HA3 GLY A 16 22.370 0.594 16.196 1.00 0.00 H ATOM 260 HA2 GLY A 16 23.548 1.801 15.631 1.00 0.00 H ATOM 261 H GLY A 16 22.009 3.563 16.123 1.00 0.00 H ATOM 262 N LYS A 17 20.839 1.588 13.825 1.00 0.00 N ATOM 263 CA LYS A 17 20.297 1.470 12.458 1.00 0.00 C ATOM 264 C LYS A 17 20.751 2.683 11.630 1.00 0.00 C ATOM 265 O LYS A 17 21.048 3.742 12.180 1.00 0.00 O ATOM 266 CB LYS A 17 18.733 1.331 12.512 1.00 0.00 C ATOM 267 CG LYS A 17 17.914 2.374 11.718 1.00 0.00 C ATOM 268 CD LYS A 17 16.396 2.246 11.973 1.00 0.00 C ATOM 269 CE LYS A 17 16.039 2.446 13.448 1.00 0.00 C ATOM 270 NZ LYS A 17 16.403 3.803 13.941 1.00 0.00 N ATOM 271 HA LYS A 17 20.680 0.572 11.972 1.00 0.00 H ATOM 272 HB2 LYS A 17 18.476 0.345 12.125 1.00 0.00 H ATOM 273 HB3 LYS A 17 18.431 1.400 13.557 1.00 0.00 H ATOM 274 HG2 LYS A 17 18.236 3.372 12.014 1.00 0.00 H ATOM 275 HG3 LYS A 17 18.104 2.233 10.654 1.00 0.00 H ATOM 276 HD2 LYS A 17 15.875 2.998 11.380 1.00 0.00 H ATOM 277 HD3 LYS A 17 16.070 1.253 11.664 1.00 0.00 H ATOM 278 HE2 LYS A 17 16.572 1.703 14.041 1.00 0.00 H ATOM 279 HE3 LYS A 17 14.965 2.305 13.571 1.00 0.00 H ATOM 280 HZ1 LYS A 17 17.428 3.945 13.836 1.00 0.00 H ATOM 281 HZ2 LYS A 17 15.893 4.520 13.386 1.00 0.00 H ATOM 282 HZ3 LYS A 17 16.141 3.888 14.944 1.00 0.00 H ATOM 283 H LYS A 17 20.217 1.969 14.566 1.00 0.00 H ATOM 284 N VAL A 18 20.760 2.520 10.302 1.00 0.00 N ATOM 285 CA VAL A 18 21.286 3.528 9.362 1.00 0.00 C ATOM 286 C VAL A 18 20.130 4.097 8.522 1.00 0.00 C ATOM 287 O VAL A 18 19.526 3.380 7.725 1.00 0.00 O ATOM 288 CB VAL A 18 22.400 2.921 8.428 1.00 0.00 C ATOM 289 CG1 VAL A 18 22.918 3.974 7.421 1.00 0.00 C ATOM 290 CG2 VAL A 18 23.558 2.321 9.262 1.00 0.00 C ATOM 291 HA VAL A 18 21.747 4.330 9.938 1.00 0.00 H ATOM 292 HB VAL A 18 21.951 2.110 7.854 1.00 0.00 H ATOM 293 HG11 VAL A 18 22.091 4.318 6.800 1.00 0.00 H ATOM 294 HG12 VAL A 18 23.341 4.818 7.965 1.00 0.00 H ATOM 295 HG13 VAL A 18 23.686 3.525 6.791 1.00 0.00 H ATOM 296 HG21 VAL A 18 24.004 3.103 9.877 1.00 0.00 H ATOM 297 HG22 VAL A 18 23.170 1.530 9.904 1.00 0.00 H ATOM 298 HG23 VAL A 18 24.312 1.909 8.591 1.00 0.00 H ATOM 299 H VAL A 18 20.376 1.636 9.912 1.00 0.00 H ATOM 300 N GLU A 19 19.835 5.395 8.703 1.00 0.00 N ATOM 301 CA GLU A 19 18.730 6.084 8.015 1.00 0.00 C ATOM 302 C GLU A 19 19.272 7.067 6.982 1.00 0.00 C ATOM 303 O GLU A 19 20.215 7.816 7.254 1.00 0.00 O ATOM 304 CB GLU A 19 17.820 6.790 9.050 1.00 0.00 C ATOM 305 CG GLU A 19 17.040 5.798 9.933 1.00 0.00 C ATOM 306 CD GLU A 19 16.232 6.451 11.059 1.00 0.00 C ATOM 307 OE1 GLU A 19 15.363 7.305 10.776 1.00 0.00 O ATOM 308 OE2 GLU A 19 16.442 6.089 12.235 1.00 0.00 O ATOM 309 HA GLU A 19 18.128 5.348 7.482 1.00 0.00 H ATOM 310 HB2 GLU A 19 18.441 7.414 9.692 1.00 0.00 H ATOM 311 HB3 GLU A 19 17.106 7.417 8.516 1.00 0.00 H ATOM 312 HG2 GLU A 19 16.351 5.244 9.296 1.00 0.00 H ATOM 313 HG3 GLU A 19 17.754 5.107 10.382 1.00 0.00 H ATOM 314 H GLU A 19 20.419 5.944 9.366 1.00 0.00 H ATOM 315 N TYR A 20 18.674 7.034 5.790 1.00 0.00 N ATOM 316 CA TYR A 20 19.048 7.887 4.662 1.00 0.00 C ATOM 317 C TYR A 20 17.959 8.939 4.424 1.00 0.00 C ATOM 318 O TYR A 20 16.781 8.592 4.299 1.00 0.00 O ATOM 319 CB TYR A 20 19.228 7.036 3.378 1.00 0.00 C ATOM 320 CG TYR A 20 20.362 5.998 3.436 1.00 0.00 C ATOM 321 CD1 TYR A 20 20.217 4.811 4.155 1.00 0.00 C ATOM 322 CD2 TYR A 20 21.576 6.202 2.768 1.00 0.00 C ATOM 323 CE1 TYR A 20 21.224 3.876 4.201 1.00 0.00 C ATOM 324 CE2 TYR A 20 22.586 5.262 2.815 1.00 0.00 C ATOM 325 CZ TYR A 20 22.404 4.103 3.536 1.00 0.00 C ATOM 326 OH TYR A 20 23.401 3.160 3.585 1.00 0.00 O ATOM 327 HA TYR A 20 19.991 8.381 4.897 1.00 0.00 H ATOM 328 HB3 TYR A 20 19.433 7.714 2.549 1.00 0.00 H ATOM 329 HB2 TYR A 20 18.294 6.506 3.190 1.00 0.00 H ATOM 330 HD2 TYR A 20 21.726 7.120 2.200 1.00 0.00 H ATOM 331 HE2 TYR A 20 23.522 5.436 2.284 1.00 0.00 H ATOM 332 HE1 TYR A 20 21.086 2.954 4.766 1.00 0.00 H ATOM 333 HD1 TYR A 20 19.287 4.621 4.691 1.00 0.00 H ATOM 334 HH TYR A 20 23.105 2.397 4.142 1.00 0.00 H ATOM 335 H TYR A 20 17.894 6.360 5.654 1.00 0.00 H ATOM 336 N PHE A 21 18.358 10.217 4.349 1.00 0.00 N ATOM 337 CA PHE A 21 17.452 11.311 3.991 1.00 0.00 C ATOM 338 C PHE A 21 17.252 11.246 2.482 1.00 0.00 C ATOM 339 O PHE A 21 18.177 11.509 1.726 1.00 0.00 O ATOM 340 CB PHE A 21 18.062 12.674 4.414 1.00 0.00 C ATOM 341 CG PHE A 21 17.100 13.858 4.464 1.00 0.00 C ATOM 342 CD1 PHE A 21 15.759 13.686 4.810 1.00 0.00 C ATOM 343 CD2 PHE A 21 17.553 15.154 4.218 1.00 0.00 C ATOM 344 CE1 PHE A 21 14.905 14.766 4.904 1.00 0.00 C ATOM 345 CE2 PHE A 21 16.694 16.233 4.305 1.00 0.00 C ATOM 346 CZ PHE A 21 15.374 16.040 4.653 1.00 0.00 C ATOM 347 HA PHE A 21 16.496 11.215 4.505 1.00 0.00 H ATOM 348 HB2 PHE A 21 18.491 12.552 5.408 1.00 0.00 H ATOM 349 HB3 PHE A 21 18.854 12.918 3.706 1.00 0.00 H ATOM 350 HD2 PHE A 21 18.598 15.318 3.954 1.00 0.00 H ATOM 351 HE2 PHE A 21 17.061 17.238 4.098 1.00 0.00 H ATOM 352 HZ PHE A 21 14.700 16.894 4.730 1.00 0.00 H ATOM 353 HE1 PHE A 21 13.861 14.613 5.176 1.00 0.00 H ATOM 354 HD1 PHE A 21 15.380 12.683 5.009 1.00 0.00 H ATOM 355 H PHE A 21 19.353 10.441 4.554 1.00 0.00 H ATOM 356 N LEU A 22 16.058 10.832 2.066 1.00 0.00 N ATOM 357 CA LEU A 22 15.751 10.538 0.667 1.00 0.00 C ATOM 358 C LEU A 22 15.400 11.800 -0.127 1.00 0.00 C ATOM 359 O LEU A 22 15.572 12.924 0.342 1.00 0.00 O ATOM 360 CB LEU A 22 14.596 9.509 0.594 1.00 0.00 C ATOM 361 CG LEU A 22 14.867 8.112 1.231 1.00 0.00 C ATOM 362 CD1 LEU A 22 13.694 7.162 0.949 1.00 0.00 C ATOM 363 CD2 LEU A 22 16.211 7.516 0.755 1.00 0.00 C ATOM 364 HA LEU A 22 16.646 10.116 0.209 1.00 0.00 H ATOM 365 HB2 LEU A 22 13.734 9.942 1.100 1.00 0.00 H ATOM 366 HB3 LEU A 22 14.357 9.353 -0.458 1.00 0.00 H ATOM 367 HG LEU A 22 14.949 8.242 2.310 1.00 0.00 H ATOM 368 HD21 LEU A 22 16.193 7.401 -0.329 1.00 0.00 H ATOM 369 HD22 LEU A 22 17.024 8.185 1.037 1.00 0.00 H ATOM 370 HD23 LEU A 22 16.361 6.543 1.222 1.00 0.00 H ATOM 371 HD11 LEU A 22 12.781 7.577 1.375 1.00 0.00 H ATOM 372 HD12 LEU A 22 13.573 7.046 -0.128 1.00 0.00 H ATOM 373 HD13 LEU A 22 13.898 6.191 1.400 1.00 0.00 H ATOM 374 H LEU A 22 15.304 10.711 2.772 1.00 0.00 H ATOM 375 N LYS A 23 15.006 11.565 -1.377 1.00 0.00 N ATOM 376 CA LYS A 23 14.308 12.516 -2.239 1.00 0.00 C ATOM 377 C LYS A 23 13.349 11.641 -3.054 1.00 0.00 C ATOM 378 O LYS A 23 13.802 10.821 -3.855 1.00 0.00 O ATOM 379 CB LYS A 23 15.323 13.298 -3.135 1.00 0.00 C ATOM 380 CG LYS A 23 14.771 14.498 -3.959 1.00 0.00 C ATOM 381 CD LYS A 23 13.823 14.083 -5.108 1.00 0.00 C ATOM 382 CE LYS A 23 13.429 15.242 -6.027 1.00 0.00 C ATOM 383 NZ LYS A 23 12.543 14.786 -7.134 1.00 0.00 N ATOM 384 HA LYS A 23 13.771 13.288 -1.688 1.00 0.00 H ATOM 385 HB2 LYS A 23 16.108 13.682 -2.483 1.00 0.00 H ATOM 386 HB3 LYS A 23 15.753 12.587 -3.840 1.00 0.00 H ATOM 387 HG2 LYS A 23 14.225 15.157 -3.284 1.00 0.00 H ATOM 388 HG3 LYS A 23 15.615 15.038 -4.388 1.00 0.00 H ATOM 389 HD2 LYS A 23 14.321 13.321 -5.708 1.00 0.00 H ATOM 390 HD3 LYS A 23 12.916 13.665 -4.672 1.00 0.00 H ATOM 391 HE2 LYS A 23 14.332 15.679 -6.453 1.00 0.00 H ATOM 392 HE3 LYS A 23 12.904 15.996 -5.441 1.00 0.00 H ATOM 393 HZ1 LYS A 23 13.040 14.070 -7.702 1.00 0.00 H ATOM 394 HZ2 LYS A 23 11.676 14.373 -6.735 1.00 0.00 H ATOM 395 HZ3 LYS A 23 12.297 15.598 -7.736 1.00 0.00 H ATOM 396 H LYS A 23 15.212 10.626 -1.773 1.00 0.00 H ATOM 397 N TRP A 24 12.039 11.794 -2.836 1.00 0.00 N ATOM 398 CA TRP A 24 11.028 10.924 -3.456 1.00 0.00 C ATOM 399 C TRP A 24 10.760 11.326 -4.910 1.00 0.00 C ATOM 400 O TRP A 24 10.857 12.502 -5.273 1.00 0.00 O ATOM 401 CB TRP A 24 9.712 10.950 -2.637 1.00 0.00 C ATOM 402 CG TRP A 24 9.884 10.483 -1.213 1.00 0.00 C ATOM 403 CD1 TRP A 24 10.079 11.268 -0.115 1.00 0.00 C ATOM 404 CD2 TRP A 24 9.881 9.132 -0.740 1.00 0.00 C ATOM 405 NE1 TRP A 24 10.204 10.494 1.006 1.00 0.00 N ATOM 406 CE2 TRP A 24 10.087 9.178 0.648 1.00 0.00 C ATOM 407 CE3 TRP A 24 9.732 7.895 -1.355 1.00 0.00 C ATOM 408 CZ2 TRP A 24 10.147 8.033 1.427 1.00 0.00 C ATOM 409 CZ3 TRP A 24 9.782 6.754 -0.582 1.00 0.00 C ATOM 410 CH2 TRP A 24 9.993 6.828 0.796 1.00 0.00 C ATOM 411 HA TRP A 24 11.421 9.907 -3.457 1.00 0.00 H ATOM 412 HB2 TRP A 24 9.334 11.972 -2.623 1.00 0.00 H ATOM 413 HB3 TRP A 24 8.986 10.302 -3.128 1.00 0.00 H ATOM 414 HE1 TRP A 24 10.362 10.847 1.971 1.00 0.00 H ATOM 415 HD1 TRP A 24 10.128 12.357 -0.129 1.00 0.00 H ATOM 416 HZ2 TRP A 24 10.311 8.090 2.503 1.00 0.00 H ATOM 417 HH2 TRP A 24 10.036 5.909 1.381 1.00 0.00 H ATOM 418 HZ3 TRP A 24 9.655 5.780 -1.054 1.00 0.00 H ATOM 419 HE3 TRP A 24 9.578 7.827 -2.432 1.00 0.00 H ATOM 420 H TRP A 24 11.723 12.557 -2.204 1.00 0.00 H ATOM 421 N LYS A 25 10.441 10.316 -5.728 1.00 0.00 N ATOM 422 CA LYS A 25 9.994 10.494 -7.114 1.00 0.00 C ATOM 423 C LYS A 25 8.471 10.748 -7.136 1.00 0.00 C ATOM 424 O LYS A 25 7.976 11.539 -7.942 1.00 0.00 O ATOM 425 CB LYS A 25 10.369 9.234 -7.948 1.00 0.00 C ATOM 426 CG LYS A 25 9.966 9.228 -9.456 1.00 0.00 C ATOM 427 CD LYS A 25 10.828 10.160 -10.366 1.00 0.00 C ATOM 428 CE LYS A 25 10.443 11.655 -10.310 1.00 0.00 C ATOM 429 NZ LYS A 25 11.325 12.497 -11.149 1.00 0.00 N ATOM 430 HA LYS A 25 10.490 11.357 -7.558 1.00 0.00 H ATOM 431 HB2 LYS A 25 11.452 9.118 -7.898 1.00 0.00 H ATOM 432 HB3 LYS A 25 9.890 8.375 -7.477 1.00 0.00 H ATOM 433 HG2 LYS A 25 10.060 8.208 -9.829 1.00 0.00 H ATOM 434 HG3 LYS A 25 8.926 9.547 -9.531 1.00 0.00 H ATOM 435 HD2 LYS A 25 11.870 10.066 -10.059 1.00 0.00 H ATOM 436 HD3 LYS A 25 10.722 9.821 -11.396 1.00 0.00 H ATOM 437 HE2 LYS A 25 10.512 11.996 -9.277 1.00 0.00 H ATOM 438 HE3 LYS A 25 9.417 11.766 -10.660 1.00 0.00 H ATOM 439 HZ1 LYS A 25 12.307 12.405 -10.819 1.00 0.00 H ATOM 440 HZ2 LYS A 25 11.261 12.185 -12.139 1.00 0.00 H ATOM 441 HZ3 LYS A 25 11.025 13.490 -11.077 1.00 0.00 H ATOM 442 H LYS A 25 10.514 9.346 -5.359 1.00 0.00 H ATOM 443 N GLY A 26 7.743 10.067 -6.216 1.00 0.00 N ATOM 444 CA GLY A 26 6.284 10.218 -6.100 1.00 0.00 C ATOM 445 C GLY A 26 5.861 11.549 -5.479 1.00 0.00 C ATOM 446 O GLY A 26 4.778 12.065 -5.775 1.00 0.00 O ATOM 447 HA3 GLY A 26 5.901 9.409 -5.479 1.00 0.00 H ATOM 448 HA2 GLY A 26 5.848 10.147 -7.097 1.00 0.00 H ATOM 449 H GLY A 26 8.233 9.416 -5.570 1.00 0.00 H ATOM 450 N PHE A 27 6.730 12.101 -4.611 1.00 0.00 N ATOM 451 CA PHE A 27 6.445 13.329 -3.826 1.00 0.00 C ATOM 452 C PHE A 27 7.467 14.431 -4.140 1.00 0.00 C ATOM 453 O PHE A 27 8.460 14.188 -4.841 1.00 0.00 O ATOM 454 CB PHE A 27 6.441 13.005 -2.308 1.00 0.00 C ATOM 455 CG PHE A 27 5.437 11.929 -1.927 1.00 0.00 C ATOM 456 CD1 PHE A 27 4.108 12.251 -1.652 1.00 0.00 C ATOM 457 CD2 PHE A 27 5.819 10.593 -1.857 1.00 0.00 C ATOM 458 CE1 PHE A 27 3.196 11.267 -1.323 1.00 0.00 C ATOM 459 CE2 PHE A 27 4.908 9.618 -1.528 1.00 0.00 C ATOM 460 CZ PHE A 27 3.598 9.952 -1.260 1.00 0.00 C ATOM 461 HA PHE A 27 5.458 13.696 -4.109 1.00 0.00 H ATOM 462 HB2 PHE A 27 7.437 12.666 -2.023 1.00 0.00 H ATOM 463 HB3 PHE A 27 6.198 13.915 -1.760 1.00 0.00 H ATOM 464 HD2 PHE A 27 6.853 10.316 -2.065 1.00 0.00 H ATOM 465 HE2 PHE A 27 5.223 8.576 -1.479 1.00 0.00 H ATOM 466 HZ PHE A 27 2.880 9.175 -0.998 1.00 0.00 H ATOM 467 HE1 PHE A 27 2.160 11.531 -1.114 1.00 0.00 H ATOM 468 HD1 PHE A 27 3.785 13.291 -1.697 1.00 0.00 H ATOM 469 H PHE A 27 7.654 11.641 -4.483 1.00 0.00 H ATOM 470 N THR A 28 7.208 15.643 -3.614 1.00 0.00 N ATOM 471 CA THR A 28 8.066 16.817 -3.836 1.00 0.00 C ATOM 472 C THR A 28 9.420 16.682 -3.087 1.00 0.00 C ATOM 473 O THR A 28 9.547 15.871 -2.155 1.00 0.00 O ATOM 474 CB THR A 28 7.317 18.127 -3.416 1.00 0.00 C ATOM 475 OG1 THR A 28 6.937 18.060 -2.038 1.00 0.00 O ATOM 476 CG2 THR A 28 6.053 18.379 -4.264 1.00 0.00 C ATOM 477 HA THR A 28 8.290 16.875 -4.901 1.00 0.00 H ATOM 478 HB THR A 28 8.011 18.951 -3.582 1.00 0.00 H ATOM 479 HG1 THR A 28 6.465 18.893 -1.786 1.00 0.00 H ATOM 480 HG23 THR A 28 6.328 18.432 -5.317 1.00 0.00 H ATOM 481 HG21 THR A 28 5.347 17.563 -4.113 1.00 0.00 H ATOM 482 HG22 THR A 28 5.594 19.319 -3.959 1.00 0.00 H ATOM 483 H THR A 28 6.360 15.755 -3.022 1.00 0.00 H ATOM 484 N ASP A 29 10.419 17.487 -3.506 1.00 0.00 N ATOM 485 CA ASP A 29 11.813 17.388 -3.005 1.00 0.00 C ATOM 486 C ASP A 29 11.931 17.818 -1.533 1.00 0.00 C ATOM 487 O ASP A 29 12.841 17.381 -0.832 1.00 0.00 O ATOM 488 CB ASP A 29 12.787 18.228 -3.888 1.00 0.00 C ATOM 489 CG ASP A 29 12.615 19.757 -3.746 1.00 0.00 C ATOM 490 OD1 ASP A 29 11.694 20.319 -4.377 1.00 0.00 O ATOM 491 OD2 ASP A 29 13.408 20.399 -3.020 1.00 0.00 O ATOM 492 HA ASP A 29 12.096 16.337 -3.069 1.00 0.00 H ATOM 493 HB2 ASP A 29 13.809 17.972 -3.608 1.00 0.00 H ATOM 494 HB3 ASP A 29 12.619 17.961 -4.931 1.00 0.00 H ATOM 495 H ASP A 29 10.201 18.214 -4.217 1.00 0.00 H ATOM 496 N ALA A 30 11.017 18.701 -1.093 1.00 0.00 N ATOM 497 CA ALA A 30 10.950 19.177 0.308 1.00 0.00 C ATOM 498 C ALA A 30 10.148 18.199 1.194 1.00 0.00 C ATOM 499 O ALA A 30 10.279 18.213 2.426 1.00 0.00 O ATOM 500 CB ALA A 30 10.339 20.589 0.367 1.00 0.00 C ATOM 501 HA ALA A 30 11.967 19.221 0.698 1.00 0.00 H ATOM 502 HB1 ALA A 30 10.957 21.275 -0.212 1.00 0.00 H ATOM 503 HB2 ALA A 30 9.332 20.565 -0.049 1.00 0.00 H ATOM 504 HB3 ALA A 30 10.298 20.923 1.404 1.00 0.00 H ATOM 505 H ALA A 30 10.321 19.069 -1.772 1.00 0.00 H ATOM 506 N ASP A 31 9.330 17.340 0.554 1.00 0.00 N ATOM 507 CA ASP A 31 8.496 16.335 1.253 1.00 0.00 C ATOM 508 C ASP A 31 9.316 15.058 1.566 1.00 0.00 C ATOM 509 O ASP A 31 8.790 14.083 2.127 1.00 0.00 O ATOM 510 CB ASP A 31 7.254 16.004 0.382 1.00 0.00 C ATOM 511 CG ASP A 31 6.129 15.312 1.164 1.00 0.00 C ATOM 512 OD1 ASP A 31 5.612 15.918 2.119 1.00 0.00 O ATOM 513 OD2 ASP A 31 5.746 14.177 0.830 1.00 0.00 O ATOM 514 HA ASP A 31 8.161 16.746 2.205 1.00 0.00 H ATOM 515 HB2 ASP A 31 6.865 16.934 -0.034 1.00 0.00 H ATOM 516 HB3 ASP A 31 7.566 15.347 -0.430 1.00 0.00 H ATOM 517 H ASP A 31 9.282 17.385 -0.484 1.00 0.00 H ATOM 518 N ASN A 32 10.615 15.091 1.193 1.00 0.00 N ATOM 519 CA ASN A 32 11.589 14.025 1.479 1.00 0.00 C ATOM 520 C ASN A 32 11.713 13.720 2.986 1.00 0.00 C ATOM 521 O ASN A 32 11.593 14.617 3.834 1.00 0.00 O ATOM 522 CB ASN A 32 12.964 14.400 0.896 1.00 0.00 C ATOM 523 CG ASN A 32 13.645 15.607 1.551 1.00 0.00 C ATOM 524 OD1 ASN A 32 12.994 16.525 2.059 1.00 0.00 O ATOM 525 ND2 ASN A 32 14.966 15.618 1.521 1.00 0.00 N ATOM 526 HA ASN A 32 11.221 13.116 1.002 1.00 0.00 H ATOM 527 HB2 ASN A 32 13.624 13.539 1.007 1.00 0.00 H ATOM 528 HB3 ASN A 32 12.832 14.621 -0.163 1.00 0.00 H ATOM 529 HD22 ASN A 32 15.483 14.828 1.085 1.00 0.00 H ATOM 530 HD21 ASN A 32 15.489 16.417 1.933 1.00 0.00 H ATOM 531 H ASN A 32 10.948 15.925 0.669 1.00 0.00 H ATOM 532 N THR A 33 11.975 12.441 3.296 1.00 0.00 N ATOM 533 CA THR A 33 11.988 11.926 4.677 1.00 0.00 C ATOM 534 C THR A 33 13.129 10.910 4.888 1.00 0.00 C ATOM 535 O THR A 33 13.657 10.331 3.927 1.00 0.00 O ATOM 536 CB THR A 33 10.600 11.275 5.036 1.00 0.00 C ATOM 537 OG1 THR A 33 10.130 10.472 3.939 1.00 0.00 O ATOM 538 CG2 THR A 33 9.522 12.319 5.384 1.00 0.00 C ATOM 539 HA THR A 33 12.164 12.769 5.345 1.00 0.00 H ATOM 540 HB THR A 33 10.768 10.659 5.920 1.00 0.00 H ATOM 541 HG1 THR A 33 10.786 9.755 3.752 1.00 0.00 H ATOM 542 HG23 THR A 33 9.868 12.934 6.215 1.00 0.00 H ATOM 543 HG21 THR A 33 9.336 12.951 4.516 1.00 0.00 H ATOM 544 HG22 THR A 33 8.601 11.808 5.667 1.00 0.00 H ATOM 545 H THR A 33 12.180 11.778 2.521 1.00 0.00 H ATOM 546 N TRP A 34 13.505 10.728 6.164 1.00 0.00 N ATOM 547 CA TRP A 34 14.514 9.748 6.595 1.00 0.00 C ATOM 548 C TRP A 34 13.919 8.343 6.601 1.00 0.00 C ATOM 549 O TRP A 34 12.996 8.072 7.374 1.00 0.00 O ATOM 550 CB TRP A 34 15.010 10.076 8.019 1.00 0.00 C ATOM 551 CG TRP A 34 15.790 11.357 8.109 1.00 0.00 C ATOM 552 CD1 TRP A 34 15.317 12.612 8.376 1.00 0.00 C ATOM 553 CD2 TRP A 34 17.192 11.486 7.914 1.00 0.00 C ATOM 554 NE1 TRP A 34 16.355 13.507 8.370 1.00 0.00 N ATOM 555 CE2 TRP A 34 17.517 12.836 8.085 1.00 0.00 C ATOM 556 CE3 TRP A 34 18.205 10.569 7.624 1.00 0.00 C ATOM 557 CZ2 TRP A 34 18.819 13.297 7.963 1.00 0.00 C ATOM 558 CZ3 TRP A 34 19.490 11.026 7.487 1.00 0.00 C ATOM 559 CH2 TRP A 34 19.791 12.379 7.657 1.00 0.00 C ATOM 560 HA TRP A 34 15.348 9.795 5.895 1.00 0.00 H ATOM 561 HB2 TRP A 34 14.144 10.154 8.676 1.00 0.00 H ATOM 562 HB3 TRP A 34 15.648 9.260 8.357 1.00 0.00 H ATOM 563 HE1 TRP A 34 16.275 14.528 8.552 1.00 0.00 H ATOM 564 HD1 TRP A 34 14.273 12.862 8.565 1.00 0.00 H ATOM 565 HZ2 TRP A 34 19.061 14.350 8.105 1.00 0.00 H ATOM 566 HH2 TRP A 34 20.822 12.713 7.544 1.00 0.00 H ATOM 567 HZ3 TRP A 34 20.287 10.324 7.242 1.00 0.00 H ATOM 568 HE3 TRP A 34 17.978 9.509 7.509 1.00 0.00 H ATOM 569 H TRP A 34 13.055 11.317 6.893 1.00 0.00 H ATOM 570 N GLU A 35 14.442 7.455 5.748 1.00 0.00 N ATOM 571 CA GLU A 35 14.035 6.046 5.725 1.00 0.00 C ATOM 572 C GLU A 35 15.273 5.153 5.896 1.00 0.00 C ATOM 573 O GLU A 35 16.272 5.360 5.198 1.00 0.00 O ATOM 574 CB GLU A 35 13.295 5.682 4.410 1.00 0.00 C ATOM 575 CG GLU A 35 12.063 6.551 4.052 1.00 0.00 C ATOM 576 CD GLU A 35 11.013 6.740 5.168 1.00 0.00 C ATOM 577 OE1 GLU A 35 10.915 5.908 6.090 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.267 7.739 5.116 1.00 0.00 O ATOM 579 HA GLU A 35 13.341 5.880 6.549 1.00 0.00 H ATOM 580 HB2 GLU A 35 14.010 5.766 3.592 1.00 0.00 H ATOM 581 HB3 GLU A 35 12.960 4.648 4.493 1.00 0.00 H ATOM 582 HG2 GLU A 35 12.425 7.538 3.765 1.00 0.00 H ATOM 583 HG3 GLU A 35 11.564 6.087 3.201 1.00 0.00 H ATOM 584 H GLU A 35 15.166 7.777 5.074 1.00 0.00 H ATOM 585 N PRO A 36 15.233 4.147 6.817 1.00 0.00 N ATOM 586 CA PRO A 36 16.378 3.249 7.058 1.00 0.00 C ATOM 587 C PRO A 36 16.618 2.276 5.889 1.00 0.00 C ATOM 588 O PRO A 36 15.695 1.955 5.137 1.00 0.00 O ATOM 589 CB PRO A 36 15.982 2.514 8.359 1.00 0.00 C ATOM 590 CG PRO A 36 14.483 2.511 8.356 1.00 0.00 C ATOM 591 CD PRO A 36 14.074 3.808 7.691 1.00 0.00 C ATOM 592 HA PRO A 36 17.322 3.786 7.145 1.00 0.00 H ATOM 593 HD3 PRO A 36 13.169 3.672 7.099 1.00 0.00 H ATOM 594 HD2 PRO A 36 13.907 4.588 8.433 1.00 0.00 H ATOM 595 HG3 PRO A 36 14.100 2.469 9.376 1.00 0.00 H ATOM 596 HG2 PRO A 36 14.105 1.658 7.792 1.00 0.00 H ATOM 597 HB2 PRO A 36 16.368 1.495 8.357 1.00 0.00 H ATOM 598 HB3 PRO A 36 16.364 3.044 9.231 1.00 0.00 H ATOM 599 N GLU A 37 17.880 1.820 5.765 1.00 0.00 N ATOM 600 CA GLU A 37 18.324 0.854 4.736 1.00 0.00 C ATOM 601 C GLU A 37 17.504 -0.454 4.768 1.00 0.00 C ATOM 602 O GLU A 37 17.340 -1.115 3.734 1.00 0.00 O ATOM 603 CB GLU A 37 19.866 0.565 4.860 1.00 0.00 C ATOM 604 CG GLU A 37 20.485 0.582 6.288 1.00 0.00 C ATOM 605 CD GLU A 37 19.752 -0.253 7.349 1.00 0.00 C ATOM 606 OE1 GLU A 37 19.955 -1.481 7.392 1.00 0.00 O ATOM 607 OE2 GLU A 37 18.959 0.316 8.141 1.00 0.00 O ATOM 608 HA GLU A 37 18.142 1.315 3.765 1.00 0.00 H ATOM 609 HB2 GLU A 37 20.049 -0.422 4.436 1.00 0.00 H ATOM 610 HB3 GLU A 37 20.388 1.316 4.268 1.00 0.00 H ATOM 611 HG2 GLU A 37 21.506 0.206 6.214 1.00 0.00 H ATOM 612 HG3 GLU A 37 20.504 1.616 6.631 1.00 0.00 H ATOM 613 H GLU A 37 18.590 2.171 6.439 1.00 0.00 H ATOM 614 N GLU A 38 16.988 -0.797 5.962 1.00 0.00 N ATOM 615 CA GLU A 38 16.139 -1.981 6.159 1.00 0.00 C ATOM 616 C GLU A 38 14.785 -1.834 5.413 1.00 0.00 C ATOM 617 O GLU A 38 14.211 -2.832 4.962 1.00 0.00 O ATOM 618 CB GLU A 38 15.908 -2.242 7.672 1.00 0.00 C ATOM 619 CG GLU A 38 15.228 -1.086 8.424 1.00 0.00 C ATOM 620 CD GLU A 38 14.903 -1.407 9.891 1.00 0.00 C ATOM 621 OE1 GLU A 38 13.858 -2.038 10.149 1.00 0.00 O ATOM 622 OE2 GLU A 38 15.695 -1.045 10.794 1.00 0.00 O ATOM 623 HA GLU A 38 16.659 -2.840 5.736 1.00 0.00 H ATOM 624 HB2 GLU A 38 15.282 -3.129 7.773 1.00 0.00 H ATOM 625 HB3 GLU A 38 16.876 -2.428 8.137 1.00 0.00 H ATOM 626 HG2 GLU A 38 15.892 -0.222 8.400 1.00 0.00 H ATOM 627 HG3 GLU A 38 14.298 -0.842 7.911 1.00 0.00 H ATOM 628 H GLU A 38 17.200 -0.196 6.784 1.00 0.00 H ATOM 629 N ASN A 39 14.289 -0.585 5.302 1.00 0.00 N ATOM 630 CA ASN A 39 13.033 -0.253 4.585 1.00 0.00 C ATOM 631 C ASN A 39 13.304 0.153 3.128 1.00 0.00 C ATOM 632 O ASN A 39 12.377 0.158 2.301 1.00 0.00 O ATOM 633 CB ASN A 39 12.271 0.891 5.310 1.00 0.00 C ATOM 634 CG ASN A 39 11.638 0.475 6.640 1.00 0.00 C ATOM 635 OD1 ASN A 39 12.193 -0.316 7.395 1.00 0.00 O ATOM 636 ND2 ASN A 39 10.460 1.009 6.931 1.00 0.00 N ATOM 637 HA ASN A 39 12.417 -1.152 4.583 1.00 0.00 H ATOM 638 HB2 ASN A 39 12.973 1.702 5.504 1.00 0.00 H ATOM 639 HB3 ASN A 39 11.480 1.247 4.651 1.00 0.00 H ATOM 640 HD22 ASN A 39 10.014 1.677 6.270 1.00 0.00 H ATOM 641 HD21 ASN A 39 9.981 0.760 7.820 1.00 0.00 H ATOM 642 H ASN A 39 14.819 0.192 5.746 1.00 0.00 H ATOM 643 N LEU A 40 14.560 0.522 2.821 1.00 0.00 N ATOM 644 CA LEU A 40 14.970 0.870 1.454 1.00 0.00 C ATOM 645 C LEU A 40 15.140 -0.404 0.633 1.00 0.00 C ATOM 646 O LEU A 40 15.882 -1.302 1.027 1.00 0.00 O ATOM 647 CB LEU A 40 16.292 1.688 1.443 1.00 0.00 C ATOM 648 CG LEU A 40 16.255 3.073 2.159 1.00 0.00 C ATOM 649 CD1 LEU A 40 17.574 3.844 1.963 1.00 0.00 C ATOM 650 CD2 LEU A 40 15.045 3.898 1.699 1.00 0.00 C ATOM 651 HA LEU A 40 14.191 1.493 1.015 1.00 0.00 H ATOM 652 HB2 LEU A 40 17.060 1.084 1.927 1.00 0.00 H ATOM 653 HB3 LEU A 40 16.568 1.859 0.403 1.00 0.00 H ATOM 654 HG LEU A 40 16.144 2.892 3.228 1.00 0.00 H ATOM 655 HD21 LEU A 40 15.106 4.062 0.623 1.00 0.00 H ATOM 656 HD22 LEU A 40 14.128 3.358 1.934 1.00 0.00 H ATOM 657 HD23 LEU A 40 15.045 4.858 2.214 1.00 0.00 H ATOM 658 HD11 LEU A 40 18.398 3.263 2.377 1.00 0.00 H ATOM 659 HD12 LEU A 40 17.742 4.009 0.899 1.00 0.00 H ATOM 660 HD13 LEU A 40 17.512 4.804 2.475 1.00 0.00 H ATOM 661 H LEU A 40 15.269 0.563 3.581 1.00 0.00 H ATOM 662 N ASP A 41 14.441 -0.481 -0.502 1.00 0.00 N ATOM 663 CA ASP A 41 14.640 -1.555 -1.488 1.00 0.00 C ATOM 664 C ASP A 41 15.448 -0.996 -2.677 1.00 0.00 C ATOM 665 O ASP A 41 15.414 -1.528 -3.794 1.00 0.00 O ATOM 666 CB ASP A 41 13.266 -2.133 -1.919 1.00 0.00 C ATOM 667 CG ASP A 41 13.379 -3.466 -2.692 1.00 0.00 C ATOM 668 OD1 ASP A 41 13.691 -4.499 -2.057 1.00 0.00 O ATOM 669 OD2 ASP A 41 13.155 -3.494 -3.923 1.00 0.00 O ATOM 670 HA ASP A 41 15.208 -2.378 -1.055 1.00 0.00 H ATOM 671 HB2 ASP A 41 12.665 -2.301 -1.025 1.00 0.00 H ATOM 672 HB3 ASP A 41 12.768 -1.403 -2.558 1.00 0.00 H ATOM 673 H ASP A 41 13.726 0.249 -0.697 1.00 0.00 H ATOM 674 N CYS A 42 16.211 0.083 -2.406 1.00 0.00 N ATOM 675 CA CYS A 42 17.046 0.762 -3.396 1.00 0.00 C ATOM 676 C CYS A 42 18.547 0.572 -3.062 1.00 0.00 C ATOM 677 O CYS A 42 19.121 1.371 -2.307 1.00 0.00 O ATOM 678 CB CYS A 42 16.655 2.253 -3.414 1.00 0.00 C ATOM 679 SG CYS A 42 16.751 3.072 -1.807 1.00 0.00 S ATOM 680 HA CYS A 42 16.884 0.335 -4.386 1.00 0.00 H ATOM 681 HB2 CYS A 42 15.630 2.332 -3.776 1.00 0.00 H ATOM 682 HB3 CYS A 42 17.323 2.772 -4.101 1.00 0.00 H ATOM 683 HG CYS A 42 18.045 3.001 -1.333 1.00 0.00 H ATOM 684 H CYS A 42 16.205 0.454 -1.435 1.00 0.00 H ATOM 685 N PRO A 43 19.206 -0.519 -3.586 1.00 0.00 N ATOM 686 CA PRO A 43 20.672 -0.722 -3.443 1.00 0.00 C ATOM 687 C PRO A 43 21.473 0.232 -4.349 1.00 0.00 C ATOM 688 O PRO A 43 22.576 0.667 -4.003 1.00 0.00 O ATOM 689 CB PRO A 43 20.886 -2.211 -3.856 1.00 0.00 C ATOM 690 CG PRO A 43 19.510 -2.805 -3.938 1.00 0.00 C ATOM 691 CD PRO A 43 18.593 -1.663 -4.302 1.00 0.00 C ATOM 692 HA PRO A 43 21.022 -0.511 -2.433 1.00 0.00 H ATOM 693 HD3 PRO A 43 18.582 -1.494 -5.379 1.00 0.00 H ATOM 694 HD2 PRO A 43 17.577 -1.847 -3.954 1.00 0.00 H ATOM 695 HG3 PRO A 43 19.222 -3.232 -2.977 1.00 0.00 H ATOM 696 HG2 PRO A 43 19.475 -3.580 -4.704 1.00 0.00 H ATOM 697 HB2 PRO A 43 21.385 -2.271 -4.823 1.00 0.00 H ATOM 698 HB3 PRO A 43 21.483 -2.732 -3.108 1.00 0.00 H ATOM 699 N GLU A 44 20.873 0.531 -5.515 1.00 0.00 N ATOM 700 CA GLU A 44 21.431 1.430 -6.536 1.00 0.00 C ATOM 701 C GLU A 44 21.725 2.829 -5.955 1.00 0.00 C ATOM 702 O GLU A 44 22.829 3.355 -6.112 1.00 0.00 O ATOM 703 CB GLU A 44 20.424 1.541 -7.710 1.00 0.00 C ATOM 704 CG GLU A 44 20.810 2.521 -8.834 1.00 0.00 C ATOM 705 CD GLU A 44 19.773 2.559 -9.966 1.00 0.00 C ATOM 706 OE1 GLU A 44 18.794 3.336 -9.869 1.00 0.00 O ATOM 707 OE2 GLU A 44 19.926 1.809 -10.960 1.00 0.00 O ATOM 708 HA GLU A 44 22.376 1.017 -6.890 1.00 0.00 H ATOM 709 HB2 GLU A 44 20.315 0.551 -8.152 1.00 0.00 H ATOM 710 HB3 GLU A 44 19.466 1.862 -7.300 1.00 0.00 H ATOM 711 HG2 GLU A 44 20.901 3.521 -8.410 1.00 0.00 H ATOM 712 HG3 GLU A 44 21.770 2.215 -9.250 1.00 0.00 H ATOM 713 H GLU A 44 19.949 0.095 -5.708 1.00 0.00 H ATOM 714 N LEU A 45 20.716 3.402 -5.268 1.00 0.00 N ATOM 715 CA LEU A 45 20.788 4.772 -4.723 1.00 0.00 C ATOM 716 C LEU A 45 21.770 4.861 -3.544 1.00 0.00 C ATOM 717 O LEU A 45 22.469 5.867 -3.390 1.00 0.00 O ATOM 718 CB LEU A 45 19.385 5.248 -4.281 1.00 0.00 C ATOM 719 CG LEU A 45 18.285 5.237 -5.377 1.00 0.00 C ATOM 720 CD1 LEU A 45 16.952 5.770 -4.817 1.00 0.00 C ATOM 721 CD2 LEU A 45 18.738 6.003 -6.641 1.00 0.00 C ATOM 722 HA LEU A 45 21.156 5.424 -5.516 1.00 0.00 H ATOM 723 HB2 LEU A 45 19.054 4.601 -3.469 1.00 0.00 H ATOM 724 HB3 LEU A 45 19.480 6.270 -3.914 1.00 0.00 H ATOM 725 HG LEU A 45 18.119 4.204 -5.683 1.00 0.00 H ATOM 726 HD21 LEU A 45 18.954 7.039 -6.379 1.00 0.00 H ATOM 727 HD22 LEU A 45 19.635 5.534 -7.046 1.00 0.00 H ATOM 728 HD23 LEU A 45 17.943 5.974 -7.386 1.00 0.00 H ATOM 729 HD11 LEU A 45 16.630 5.140 -3.988 1.00 0.00 H ATOM 730 HD12 LEU A 45 17.090 6.793 -4.466 1.00 0.00 H ATOM 731 HD13 LEU A 45 16.197 5.753 -5.603 1.00 0.00 H ATOM 732 H LEU A 45 19.846 2.853 -5.115 1.00 0.00 H ATOM 733 N ILE A 46 21.809 3.799 -2.715 1.00 0.00 N ATOM 734 CA ILE A 46 22.723 3.720 -1.560 1.00 0.00 C ATOM 735 C ILE A 46 24.188 3.679 -2.036 1.00 0.00 C ATOM 736 O ILE A 46 25.015 4.471 -1.572 1.00 0.00 O ATOM 737 CB ILE A 46 22.384 2.479 -0.642 1.00 0.00 C ATOM 738 CG1 ILE A 46 21.001 2.700 0.061 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.501 2.189 0.392 1.00 0.00 C ATOM 740 CD1 ILE A 46 20.557 1.577 0.991 1.00 0.00 C ATOM 741 HA ILE A 46 22.585 4.617 -0.956 1.00 0.00 H ATOM 742 HB ILE A 46 22.321 1.598 -1.280 1.00 0.00 H ATOM 743 HG12 ILE A 46 21.063 3.618 0.646 1.00 0.00 H ATOM 744 HG13 ILE A 46 20.243 2.815 -0.714 1.00 0.00 H ATOM 745 HD11 ILE A 46 20.472 0.650 0.424 1.00 0.00 H ATOM 746 HD12 ILE A 46 21.293 1.453 1.786 1.00 0.00 H ATOM 747 HD13 ILE A 46 19.590 1.828 1.426 1.00 0.00 H ATOM 748 HG21 ILE A 46 24.433 1.977 -0.132 1.00 0.00 H ATOM 749 HG22 ILE A 46 23.634 3.059 1.035 1.00 0.00 H ATOM 750 HG23 ILE A 46 23.219 1.328 0.997 1.00 0.00 H ATOM 751 H ILE A 46 21.167 3.001 -2.897 1.00 0.00 H ATOM 752 N GLU A 47 24.476 2.778 -2.998 1.00 0.00 N ATOM 753 CA GLU A 47 25.822 2.639 -3.596 1.00 0.00 C ATOM 754 C GLU A 47 26.277 3.969 -4.222 1.00 0.00 C ATOM 755 O GLU A 47 27.372 4.454 -3.936 1.00 0.00 O ATOM 756 CB GLU A 47 25.837 1.535 -4.690 1.00 0.00 C ATOM 757 CG GLU A 47 27.198 1.382 -5.414 1.00 0.00 C ATOM 758 CD GLU A 47 27.168 0.430 -6.622 1.00 0.00 C ATOM 759 OE1 GLU A 47 27.141 -0.807 -6.422 1.00 0.00 O ATOM 760 OE2 GLU A 47 27.168 0.912 -7.781 1.00 0.00 O ATOM 761 HA GLU A 47 26.507 2.358 -2.796 1.00 0.00 H ATOM 762 HB2 GLU A 47 25.590 0.583 -4.220 1.00 0.00 H ATOM 763 HB3 GLU A 47 25.079 1.779 -5.434 1.00 0.00 H ATOM 764 HG2 GLU A 47 27.513 2.366 -5.762 1.00 0.00 H ATOM 765 HG3 GLU A 47 27.926 1.002 -4.697 1.00 0.00 H ATOM 766 H GLU A 47 23.717 2.152 -3.335 1.00 0.00 H ATOM 767 N ALA A 48 25.393 4.544 -5.060 1.00 0.00 N ATOM 768 CA ALA A 48 25.670 5.784 -5.805 1.00 0.00 C ATOM 769 C ALA A 48 25.956 6.963 -4.852 1.00 0.00 C ATOM 770 O ALA A 48 26.840 7.782 -5.108 1.00 0.00 O ATOM 771 CB ALA A 48 24.491 6.118 -6.734 1.00 0.00 C ATOM 772 HA ALA A 48 26.563 5.622 -6.408 1.00 0.00 H ATOM 773 HB1 ALA A 48 24.344 5.301 -7.441 1.00 0.00 H ATOM 774 HB2 ALA A 48 23.588 6.252 -6.139 1.00 0.00 H ATOM 775 HB3 ALA A 48 24.708 7.037 -7.279 1.00 0.00 H ATOM 776 H ALA A 48 24.467 4.089 -5.188 1.00 0.00 H ATOM 777 N PHE A 49 25.204 7.010 -3.739 1.00 0.00 N ATOM 778 CA PHE A 49 25.359 8.034 -2.688 1.00 0.00 C ATOM 779 C PHE A 49 26.747 7.937 -1.999 1.00 0.00 C ATOM 780 O PHE A 49 27.395 8.960 -1.734 1.00 0.00 O ATOM 781 CB PHE A 49 24.213 7.888 -1.650 1.00 0.00 C ATOM 782 CG PHE A 49 24.379 8.758 -0.418 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.255 10.142 -0.502 1.00 0.00 C ATOM 784 CD2 PHE A 49 24.699 8.198 0.818 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.443 10.933 0.608 1.00 0.00 C ATOM 786 CE2 PHE A 49 24.890 8.993 1.919 1.00 0.00 C ATOM 787 CZ PHE A 49 24.761 10.359 1.818 1.00 0.00 C ATOM 788 HA PHE A 49 25.300 9.019 -3.151 1.00 0.00 H ATOM 789 HB2 PHE A 49 23.275 8.157 -2.135 1.00 0.00 H ATOM 790 HB3 PHE A 49 24.170 6.847 -1.331 1.00 0.00 H ATOM 791 HD2 PHE A 49 24.798 7.116 0.910 1.00 0.00 H ATOM 792 HE2 PHE A 49 25.145 8.541 2.878 1.00 0.00 H ATOM 793 HZ PHE A 49 24.911 10.987 2.696 1.00 0.00 H ATOM 794 HE1 PHE A 49 24.340 12.015 0.529 1.00 0.00 H ATOM 795 HD1 PHE A 49 24.006 10.604 -1.457 1.00 0.00 H ATOM 796 H PHE A 49 24.471 6.283 -3.611 1.00 0.00 H ATOM 797 N LEU A 50 27.180 6.700 -1.703 1.00 0.00 N ATOM 798 CA LEU A 50 28.488 6.433 -1.061 1.00 0.00 C ATOM 799 C LEU A 50 29.642 6.768 -2.031 1.00 0.00 C ATOM 800 O LEU A 50 30.692 7.270 -1.616 1.00 0.00 O ATOM 801 CB LEU A 50 28.551 4.955 -0.600 1.00 0.00 C ATOM 802 CG LEU A 50 27.464 4.535 0.436 1.00 0.00 C ATOM 803 CD1 LEU A 50 27.501 3.021 0.702 1.00 0.00 C ATOM 804 CD2 LEU A 50 27.589 5.353 1.739 1.00 0.00 C ATOM 805 HA LEU A 50 28.597 7.072 -0.184 1.00 0.00 H ATOM 806 HB2 LEU A 50 28.440 4.322 -1.480 1.00 0.00 H ATOM 807 HB3 LEU A 50 29.529 4.783 -0.151 1.00 0.00 H ATOM 808 HG LEU A 50 26.488 4.761 0.007 1.00 0.00 H ATOM 809 HD21 LEU A 50 28.572 5.186 2.179 1.00 0.00 H ATOM 810 HD22 LEU A 50 27.465 6.412 1.515 1.00 0.00 H ATOM 811 HD23 LEU A 50 26.817 5.036 2.441 1.00 0.00 H ATOM 812 HD11 LEU A 50 27.319 2.485 -0.229 1.00 0.00 H ATOM 813 HD12 LEU A 50 28.480 2.746 1.095 1.00 0.00 H ATOM 814 HD13 LEU A 50 26.731 2.762 1.428 1.00 0.00 H ATOM 815 H LEU A 50 26.568 5.892 -1.936 1.00 0.00 H ATOM 816 N ASN A 51 29.401 6.502 -3.331 1.00 0.00 N ATOM 817 CA ASN A 51 30.328 6.843 -4.435 1.00 0.00 C ATOM 818 C ASN A 51 30.454 8.372 -4.597 1.00 0.00 C ATOM 819 O ASN A 51 31.510 8.870 -4.998 1.00 0.00 O ATOM 820 CB ASN A 51 29.849 6.205 -5.774 1.00 0.00 C ATOM 821 CG ASN A 51 29.916 4.674 -5.804 1.00 0.00 C ATOM 822 OD1 ASN A 51 30.756 4.059 -5.149 1.00 0.00 O ATOM 823 ND2 ASN A 51 29.044 4.050 -6.584 1.00 0.00 N ATOM 824 HA ASN A 51 31.308 6.438 -4.183 1.00 0.00 H ATOM 825 HB2 ASN A 51 28.815 6.505 -5.945 1.00 0.00 H ATOM 826 HB3 ASN A 51 30.475 6.590 -6.579 1.00 0.00 H ATOM 827 HD22 ASN A 51 28.346 4.598 -7.126 1.00 0.00 H ATOM 828 HD21 ASN A 51 29.058 3.012 -6.654 1.00 0.00 H ATOM 829 H ASN A 51 28.508 6.028 -3.574 1.00 0.00 H ATOM 830 N SER A 52 29.361 9.101 -4.282 1.00 0.00 N ATOM 831 CA SER A 52 29.329 10.576 -4.324 1.00 0.00 C ATOM 832 C SER A 52 30.198 11.177 -3.196 1.00 0.00 C ATOM 833 O SER A 52 30.892 12.182 -3.405 1.00 0.00 O ATOM 834 CB SER A 52 27.871 11.089 -4.211 1.00 0.00 C ATOM 835 OG SER A 52 27.080 10.635 -5.299 1.00 0.00 O ATOM 836 HA SER A 52 29.740 10.898 -5.281 1.00 0.00 H ATOM 837 HB2 SER A 52 27.877 12.179 -4.206 1.00 0.00 H ATOM 838 HB3 SER A 52 27.437 10.725 -3.280 1.00 0.00 H ATOM 839 HG SER A 52 27.067 9.645 -5.306 1.00 0.00 H ATOM 840 H SER A 52 28.498 8.597 -3.995 1.00 0.00 H ATOM 841 N GLN A 53 30.150 10.536 -2.011 1.00 0.00 N ATOM 842 CA GLN A 53 30.908 10.974 -0.816 1.00 0.00 C ATOM 843 C GLN A 53 32.411 10.700 -0.970 1.00 0.00 C ATOM 844 O GLN A 53 33.241 11.385 -0.364 1.00 0.00 O ATOM 845 CB GLN A 53 30.380 10.260 0.450 1.00 0.00 C ATOM 846 CG GLN A 53 28.920 10.571 0.799 1.00 0.00 C ATOM 847 CD GLN A 53 28.463 9.874 2.074 1.00 0.00 C ATOM 848 OE1 GLN A 53 28.572 10.415 3.171 1.00 0.00 O ATOM 849 NE2 GLN A 53 27.998 8.645 1.938 1.00 0.00 N ATOM 850 HA GLN A 53 30.764 12.050 -0.715 1.00 0.00 H ATOM 851 HB2 GLN A 53 30.471 9.185 0.297 1.00 0.00 H ATOM 852 HB3 GLN A 53 31.002 10.559 1.293 1.00 0.00 H ATOM 853 HG2 GLN A 53 28.814 11.648 0.932 1.00 0.00 H ATOM 854 HG3 GLN A 53 28.286 10.244 -0.025 1.00 0.00 H ATOM 855 HE22 GLN A 53 27.920 8.220 0.992 1.00 0.00 H ATOM 856 HE21 GLN A 53 27.710 8.102 2.777 1.00 0.00 H ATOM 857 H GLN A 53 29.550 9.690 -1.932 1.00 0.00 H ATOM 858 N LYS A 54 32.746 9.680 -1.763 1.00 0.00 N ATOM 859 CA LYS A 54 34.133 9.267 -2.000 1.00 0.00 C ATOM 860 C LYS A 54 34.553 9.676 -3.440 1.00 0.00 C ATOM 861 O LYS A 54 34.839 10.876 -3.663 1.00 0.00 O ATOM 862 CB LYS A 54 34.249 7.736 -1.748 1.00 0.00 C ATOM 863 CG LYS A 54 33.915 7.303 -0.302 1.00 0.00 C ATOM 864 CD LYS A 54 33.907 5.766 -0.108 1.00 0.00 C ATOM 865 CE LYS A 54 35.244 5.094 -0.482 1.00 0.00 C ATOM 866 NZ LYS A 54 36.382 5.600 0.334 1.00 0.00 N ATOM 867 HA LYS A 54 34.817 9.767 -1.314 1.00 0.00 H ATOM 868 OXT LYS A 54 34.584 8.821 -4.343 1.00 0.00 O ATOM 869 HB2 LYS A 54 33.564 7.225 -2.425 1.00 0.00 H ATOM 870 HB3 LYS A 54 35.271 7.430 -1.969 1.00 0.00 H ATOM 871 HG2 LYS A 54 34.659 7.733 0.369 1.00 0.00 H ATOM 872 HG3 LYS A 54 32.929 7.690 -0.044 1.00 0.00 H ATOM 873 HD2 LYS A 54 33.693 5.551 0.939 1.00 0.00 H ATOM 874 HD3 LYS A 54 33.121 5.343 -0.733 1.00 0.00 H ATOM 875 HE2 LYS A 54 35.453 5.290 -1.534 1.00 0.00 H ATOM 876 HE3 LYS A 54 35.152 4.019 -0.326 1.00 0.00 H ATOM 877 HZ1 LYS A 54 36.485 6.624 0.186 1.00 0.00 H ATOM 878 HZ2 LYS A 54 36.197 5.410 1.340 1.00 0.00 H ATOM 879 HZ3 LYS A 54 37.256 5.117 0.044 1.00 0.00 H ATOM 880 H LYS A 54 31.985 9.152 -2.236 1.00 0.00 H TER 881 LYS A 54 HETATM 882 N ALA A 1 14.637 3.067 -19.419 1.00 0.24 N HETATM 883 CA ALA A 1 14.950 4.518 -19.426 1.00 0.06 C HETATM 884 C ALA A 1 14.449 5.203 -18.141 1.00 0.23 C HETATM 885 O ALA A 1 14.970 6.252 -17.745 1.00 -0.39 O HETATM 886 N ALA A 1 13.428 4.607 -17.502 1.00 -0.26 N HETATM 887 CA ALA A 1 12.839 5.124 -16.254 1.00 0.13 C HETATM 888 C ALA A 1 13.436 4.395 -15.041 1.00 0.20 C HETATM 889 O ALA A 1 13.115 3.230 -14.775 1.00 -0.39 O HETATM 890 N ALA A 1 14.338 5.093 -14.341 1.00 -0.26 N HETATM 891 CA ALA A 1 15.032 4.574 -13.159 1.00 0.16 C HETATM 892 C ALA A 1 14.180 4.800 -11.897 1.00 0.21 C HETATM 893 O ALA A 1 14.277 5.840 -11.233 1.00 -0.39 O HETATM 894 N ALA A 1 13.284 3.840 -11.620 1.00 -0.26 N HETATM 895 CA ALA A 1 12.450 3.843 -10.413 1.00 0.13 C HETATM 896 C ALA A 1 13.042 2.899 -9.366 1.00 0.20 C HETATM 897 O ALA A 1 13.381 1.747 -9.671 1.00 -0.39 O HETATM 898 N ALA A 1 13.167 3.397 -8.139 1.00 -0.26 N HETATM 899 CA ALA A 1 13.598 2.622 -6.976 1.00 0.13 C HETATM 900 C ALA A 1 12.520 2.724 -5.892 1.00 0.20 C HETATM 901 O ALA A 1 11.965 3.802 -5.667 1.00 -0.39 O HETATM 902 N ALA A 1 12.217 1.601 -5.231 1.00 -0.26 N HETATM 903 CA ALA A 1 11.139 1.514 -4.236 1.00 0.16 C HETATM 904 C ALA A 1 11.689 1.651 -2.806 1.00 0.21 C HETATM 905 O ALA A 1 12.825 1.247 -2.516 1.00 -0.39 O HETATM 906 N ALA A 1 10.868 2.251 -1.926 1.00 -0.26 N HETATM 907 CA ALA A 1 11.173 2.424 -0.499 1.00 0.13 C HETATM 908 C ALA A 1 9.873 2.452 0.311 1.00 0.20 C HETATM 909 O ALA A 1 8.849 2.982 -0.139 1.00 -0.39 O HETATM 910 N ALA A 1 9.926 1.878 1.512 1.00 -0.26 N HETATM 911 CA ALA A 1 8.780 1.765 2.424 1.00 0.13 C HETATM 912 C ALA A 1 8.972 2.757 3.581 1.00 0.20 C HETATM 913 O ALA A 1 10.057 2.812 4.168 1.00 -0.39 O HETATM 914 N ALA A 1 7.941 3.562 3.891 1.00 -0.26 N HETATM 915 CA ALA A 1 8.020 4.531 4.992 1.00 0.13 C HETATM 916 CB ALA A 1 6.985 5.676 4.828 1.00 -0.01 C HETATM 917 CG ALA A 1 7.324 6.650 3.673 1.00 -0.04 C HETATM 918 CD ALA A 1 6.458 7.933 3.677 1.00 -0.01 C HETATM 919 CE ALA A 1 6.977 8.978 2.656 1.00 -0.03 C HETATM 920 NZ ALA A 1 6.244 10.332 2.685 1.00 0.24 N HETATM 921 CM1 ALA A 1 6.919 11.285 1.689 1.00 -0.04 C HETATM 922 H ALA A 1 7.963 11.424 1.972 1.00 0.08 H HETATM 923 H ALA A 1 6.866 10.858 0.687 1.00 0.08 H HETATM 924 H ALA A 1 6.406 12.246 1.703 1.00 0.08 H HETATM 925 CM2 ALA A 1 4.780 10.140 2.291 1.00 -0.04 C HETATM 926 H ALA A 1 4.727 9.724 1.285 1.00 0.08 H HETATM 927 H ALA A 1 4.303 9.457 2.994 1.00 0.08 H HETATM 928 H ALA A 1 4.269 11.103 2.314 1.00 0.08 H HETATM 929 CM3 ALA A 1 6.323 10.943 4.083 1.00 -0.04 C HETATM 930 H ALA A 1 5.856 10.268 4.800 1.00 0.08 H HETATM 931 H ALA A 1 7.368 11.096 4.353 1.00 0.08 H HETATM 932 H ALA A 1 5.801 11.900 4.090 1.00 0.08 H HETATM 933 H ALA A 1 6.820 8.555 1.664 1.00 0.08 H HETATM 934 H ALA A 1 8.018 9.177 2.910 1.00 0.08 H HETATM 935 H ALA A 1 6.502 8.374 4.673 1.00 0.03 H HETATM 936 H ALA A 1 5.439 7.661 3.402 1.00 0.03 H HETATM 937 H ALA A 1 7.133 6.128 2.736 1.00 0.03 H HETATM 938 H ALA A 1 8.364 6.955 3.795 1.00 0.03 H HETATM 939 H ALA A 1 6.982 6.252 5.753 1.00 0.03 H HETATM 940 H ALA A 1 6.022 5.219 4.600 1.00 0.03 H HETATM 941 C ALA A 1 7.878 3.827 6.347 1.00 0.20 C HETATM 942 O ALA A 1 6.898 3.113 6.596 1.00 -0.39 O HETATM 943 N ALA A 1 8.904 4.024 7.191 1.00 -0.26 N HETATM 944 CA ALA A 1 8.987 3.477 8.542 1.00 0.15 C HETATM 945 C ALA A 1 8.001 4.205 9.470 1.00 0.21 C HETATM 946 O ALA A 1 8.349 5.203 10.123 1.00 -0.39 O HETATM 947 N ALA A 1 6.747 3.730 9.456 1.00 -0.26 N HETATM 948 CA ALA A 1 5.690 4.221 10.331 1.00 0.16 C HETATM 949 C ALA A 1 5.873 3.595 11.725 1.00 0.21 C HETATM 950 O ALA A 1 5.332 2.524 12.018 1.00 -0.39 O HETATM 951 N ALA A 1 6.703 4.254 12.549 1.00 -0.27 N HETATM 952 CA ALA A 1 7.144 3.714 13.837 1.00 0.12 C HETATM 953 C ALA A 1 8.559 3.153 13.751 1.00 0.20 C HETATM 954 O ALA A 1 9.320 3.523 12.849 1.00 -0.39 O HETATM 955 N ALA A 1 8.900 2.238 14.675 1.00 -0.27 N HETATM 956 CA ALA A 1 10.240 1.653 14.745 1.00 0.12 C HETATM 957 C ALA A 1 10.272 0.517 15.755 1.00 0.20 C HETATM 958 O ALA A 1 10.101 0.757 16.957 1.00 -0.39 O HETATM 959 N ALA A 1 10.466 -0.726 15.269 1.00 -0.26 N HETATM 960 CA ALA A 1 10.438 -1.933 16.117 1.00 0.13 C HETATM 961 C ALA A 1 11.720 -2.021 16.976 1.00 0.20 C HETATM 962 O ALA A 1 12.745 -2.561 16.542 1.00 -0.39 O HETATM 963 N ALA A 1 11.663 -1.407 18.167 1.00 -0.27 N HETATM 964 CA ALA A 1 12.725 -1.480 19.172 1.00 0.09 C HETATM 965 C ALA A 1 12.328 -2.536 20.233 1.00 0.06 C HETATM 966 O ALA A 1 12.758 -3.700 20.121 1.00 -0.57 O HETATM 967 OXT ALA A 1 11.546 -2.211 21.148 1.00 -0.57 O HETATM 968 CB ALA A 1 12.964 -0.078 19.782 1.00 -0.03 C HETATM 969 H ALA A 1 13.259 0.614 18.994 1.00 0.03 H HETATM 970 H ALA A 1 12.045 0.274 20.251 1.00 0.03 H HETATM 971 H ALA A 1 13.755 -0.138 20.529 1.00 0.03 H HETATM 972 H ALA A 1 13.668 -1.792 18.724 1.00 0.07 H HETATM 973 H ALA A 1 10.832 -0.858 18.385 1.00 0.19 H HETATM 974 CB ALA A 1 10.254 -3.209 15.235 1.00 -0.01 C HETATM 975 CG ALA A 1 10.042 -4.560 15.995 1.00 -0.04 C HETATM 976 CD ALA A 1 8.600 -4.792 16.548 1.00 -0.01 C HETATM 977 CE ALA A 1 8.251 -3.966 17.802 1.00 -0.04 C HETATM 978 NZ ALA A 1 6.888 -4.262 18.302 1.00 0.22 N HETATM 979 H ALA A 1 6.700 -3.696 19.129 1.00 0.20 H HETATM 980 H ALA A 1 6.206 -4.043 17.576 1.00 0.20 H HETATM 981 H ALA A 1 6.823 -5.251 18.544 1.00 0.20 H HETATM 982 H ALA A 1 8.294 -2.910 17.537 1.00 0.08 H HETATM 983 H ALA A 1 8.964 -4.221 18.586 1.00 0.08 H HETATM 984 H ALA A 1 8.534 -5.843 16.831 1.00 0.03 H HETATM 985 H ALA A 1 7.907 -4.487 15.764 1.00 0.03 H HETATM 986 H ALA A 1 10.709 -4.542 16.857 1.00 0.03 H HETATM 987 H ALA A 1 10.234 -5.357 15.277 1.00 0.03 H HETATM 988 H ALA A 1 11.180 -3.322 14.672 1.00 0.03 H HETATM 989 H ALA A 1 9.347 -3.045 14.653 1.00 0.03 H HETATM 990 H ALA A 1 9.588 -1.868 16.796 1.00 0.08 H HETATM 991 H ALA A 1 10.640 -0.837 14.270 1.00 0.19 H HETATM 992 H ALA A 1 10.947 2.423 15.055 1.00 0.08 H HETATM 993 H ALA A 1 10.508 1.262 13.763 1.00 0.08 H HETATM 994 H ALA A 1 8.198 1.940 15.353 1.00 0.19 H HETATM 995 H ALA A 1 6.469 2.907 14.123 1.00 0.08 H HETATM 996 H ALA A 1 7.136 4.520 14.571 1.00 0.08 H HETATM 997 H ALA A 1 7.042 5.173 12.265 1.00 0.19 H HETATM 998 CB ALA A 1 4.274 3.912 9.715 1.00 0.09 C HETATM 999 OG1 ALA A 1 4.169 2.521 9.352 1.00 -0.39 O HETATM 1000 H ALA A 1 4.293 1.977 10.133 1.00 0.21 H HETATM 1001 CG2 ALA A 1 3.996 4.767 8.466 1.00 -0.03 C HETATM 1002 H ALA A 1 4.030 5.823 8.735 1.00 0.03 H HETATM 1003 H ALA A 1 4.752 4.559 7.709 1.00 0.03 H HETATM 1004 H ALA A 1 3.009 4.523 8.072 1.00 0.03 H HETATM 1005 H ALA A 1 3.538 4.155 10.481 1.00 0.06 H HETATM 1006 H ALA A 1 5.753 5.305 10.430 1.00 0.08 H HETATM 1007 H ALA A 1 6.521 2.985 8.797 1.00 0.19 H HETATM 1008 CB ALA A 1 10.447 3.588 9.055 1.00 0.08 C HETATM 1009 OG ALA A 1 10.615 2.957 10.316 1.00 -0.39 O HETATM 1010 H ALA A 1 10.037 3.373 10.960 1.00 0.21 H HETATM 1011 H ALA A 1 10.691 4.645 9.167 1.00 0.06 H HETATM 1012 H ALA A 1 11.100 3.094 8.336 1.00 0.06 H HETATM 1013 H ALA A 1 8.709 2.423 8.532 1.00 0.08 H HETATM 1014 H ALA A 1 9.682 4.598 6.864 1.00 0.19 H HETATM 1015 H ALA A 1 9.007 4.993 4.958 1.00 0.08 H HETATM 1016 H ALA A 1 7.081 3.498 3.347 1.00 0.19 H HETATM 1017 CB ALA A 1 8.709 0.301 2.940 1.00 -0.01 C HETATM 1018 CG ALA A 1 8.540 -0.758 1.819 1.00 -0.02 C HETATM 1019 CD ALA A 1 8.760 -2.206 2.302 1.00 0.06 C HETATM 1020 NE ALA A 1 7.882 -2.567 3.440 1.00 -0.27 N HETATM 1021 CZ ALA A 1 7.199 -3.715 3.561 1.00 0.29 C HETATM 1022 NH1 ALA A 1 7.205 -4.620 2.586 1.00 -0.28 N HETATM 1023 H ALA A 1 7.734 -4.446 1.732 1.00 0.26 H HETATM 1024 H ALA A 1 6.681 -5.488 2.693 1.00 0.26 H HETATM 1025 NH2 ALA A 1 6.503 -3.948 4.660 1.00 -0.28 N HETATM 1026 H ALA A 1 6.487 -3.257 5.410 1.00 0.26 H HETATM 1027 H ALA A 1 5.981 -4.819 4.758 1.00 0.26 H HETATM 1028 H ALA A 1 7.789 -1.886 4.194 1.00 0.26 H HETATM 1029 H ALA A 1 9.794 -2.295 2.635 1.00 0.07 H HETATM 1030 H ALA A 1 8.527 -2.875 1.474 1.00 0.07 H HETATM 1031 H ALA A 1 9.290 -0.550 1.056 1.00 0.03 H HETATM 1032 H ALA A 1 7.516 -0.687 1.453 1.00 0.03 H HETATM 1033 H ALA A 1 7.834 0.229 3.586 1.00 0.03 H HETATM 1034 H ALA A 1 9.653 0.090 3.443 1.00 0.03 H HETATM 1035 H ALA A 1 7.844 2.004 1.918 1.00 0.08 H HETATM 1036 H ALA A 1 10.819 1.492 1.818 1.00 0.19 H HETATM 1037 CB ALA A 1 11.984 3.704 -0.259 1.00 -0.02 C HETATM 1038 H ALA A 1 12.921 3.648 -0.812 1.00 0.03 H HETATM 1039 H ALA A 1 11.410 4.566 -0.601 1.00 0.03 H HETATM 1040 H ALA A 1 12.194 3.805 0.806 1.00 0.03 H HETATM 1041 H ALA A 1 11.779 1.580 -0.171 1.00 0.08 H HETATM 1042 H ALA A 1 9.977 2.609 -2.271 1.00 0.19 H HETATM 1043 CB ALA A 1 10.359 0.168 -4.403 1.00 0.09 C HETATM 1044 OG1 ALA A 1 11.284 -0.934 -4.431 1.00 -0.39 O HETATM 1045 H ALA A 1 10.798 -1.756 -4.534 1.00 0.21 H HETATM 1046 CG2 ALA A 1 9.516 0.147 -5.693 1.00 -0.03 C HETATM 1047 H ALA A 1 8.791 0.961 -5.665 1.00 0.03 H HETATM 1048 H ALA A 1 10.171 0.272 -6.556 1.00 0.03 H HETATM 1049 H ALA A 1 8.992 -0.806 -5.768 1.00 0.03 H HETATM 1050 H ALA A 1 9.684 0.076 -3.552 1.00 0.06 H HETATM 1051 H ALA A 1 10.450 2.342 -4.405 1.00 0.08 H HETATM 1052 H ALA A 1 12.762 0.762 -5.428 1.00 0.19 H HETATM 1053 CB ALA A 1 14.958 3.154 -6.466 1.00 0.00 C HETATM 1054 CG ALA A 1 16.163 2.885 -7.397 1.00 0.04 C HETATM 1055 CD ALA A 1 16.545 1.405 -7.480 1.00 0.17 C HETATM 1056 OE1 ALA A 1 17.354 0.916 -6.687 1.00 -0.40 O HETATM 1057 NE2 ALA A 1 15.968 0.679 -8.431 1.00 -0.30 N HETATM 1058 H ALA A 1 16.190 -0.312 -8.521 1.00 0.18 H HETATM 1059 H ALA A 1 15.303 1.113 -9.071 1.00 0.18 H HETATM 1060 H ALA A 1 17.019 3.424 -6.992 1.00 0.05 H HETATM 1061 H ALA A 1 15.884 3.210 -8.399 1.00 0.05 H HETATM 1062 H ALA A 1 15.165 2.636 -5.530 1.00 0.03 H HETATM 1063 H ALA A 1 14.860 4.237 -6.387 1.00 0.03 H HETATM 1064 H ALA A 1 13.731 1.574 -7.246 1.00 0.08 H HETATM 1065 H ALA A 1 12.948 4.383 -8.000 1.00 0.19 H HETATM 1066 CB ALA A 1 10.995 3.425 -10.737 1.00 -0.01 C HETATM 1067 CG ALA A 1 10.212 4.444 -11.590 1.00 -0.04 C HETATM 1068 CD ALA A 1 8.723 4.055 -11.733 1.00 -0.01 C HETATM 1069 CE ALA A 1 7.907 5.089 -12.519 1.00 -0.04 C HETATM 1070 NZ ALA A 1 6.473 4.708 -12.631 1.00 0.22 N HETATM 1071 H ALA A 1 5.973 5.423 -13.159 1.00 0.20 H HETATM 1072 H ALA A 1 6.397 3.812 -13.112 1.00 0.20 H HETATM 1073 H ALA A 1 6.069 4.629 -11.697 1.00 0.20 H HETATM 1074 H ALA A 1 8.320 5.152 -13.526 1.00 0.08 H HETATM 1075 H ALA A 1 7.964 6.040 -11.989 1.00 0.08 H HETATM 1076 H ALA A 1 8.299 3.989 -10.731 1.00 0.03 H HETATM 1077 H ALA A 1 8.677 3.112 -12.277 1.00 0.03 H HETATM 1078 H ALA A 1 10.655 4.468 -12.585 1.00 0.03 H HETATM 1079 H ALA A 1 10.265 5.414 -11.097 1.00 0.03 H HETATM 1080 H ALA A 1 10.470 3.334 -9.786 1.00 0.03 H HETATM 1081 H ALA A 1 11.049 2.501 -11.313 1.00 0.03 H HETATM 1082 H ALA A 1 12.432 4.858 -10.017 1.00 0.08 H HETATM 1083 H ALA A 1 13.178 3.071 -12.281 1.00 0.19 H HETATM 1084 CB ALA A 1 16.452 5.225 -13.016 1.00 0.09 C HETATM 1085 OG1 ALA A 1 16.344 6.667 -12.979 1.00 -0.39 O HETATM 1086 H ALA A 1 15.803 6.927 -12.230 1.00 0.21 H HETATM 1087 CG2 ALA A 1 17.371 4.815 -14.178 1.00 -0.03 C HETATM 1088 H ALA A 1 17.484 3.731 -14.185 1.00 0.03 H HETATM 1089 H ALA A 1 16.931 5.142 -15.120 1.00 0.03 H HETATM 1090 H ALA A 1 18.347 5.282 -14.050 1.00 0.03 H HETATM 1091 H ALA A 1 16.886 4.867 -12.082 1.00 0.06 H HETATM 1092 H ALA A 1 15.175 3.500 -13.281 1.00 0.08 H HETATM 1093 H ALA A 1 14.555 6.041 -14.648 1.00 0.19 H HETATM 1094 CB ALA A 1 11.297 4.972 -16.303 1.00 -0.01 C HETATM 1095 CG ALA A 1 10.631 5.724 -17.479 1.00 -0.02 C HETATM 1096 CD ALA A 1 10.961 7.229 -17.480 1.00 0.06 C HETATM 1097 NE ALA A 1 10.332 7.938 -18.607 1.00 -0.27 N HETATM 1098 CZ ALA A 1 9.742 9.138 -18.530 1.00 0.29 C HETATM 1099 NH1 ALA A 1 9.589 9.760 -17.356 1.00 -0.28 N HETATM 1100 H ALA A 1 9.924 9.321 -16.499 1.00 0.26 H HETATM 1101 H ALA A 1 9.137 10.674 -17.318 1.00 0.26 H HETATM 1102 NH2 ALA A 1 9.279 9.698 -19.634 1.00 -0.28 N HETATM 1103 H ALA A 1 9.373 9.217 -20.528 1.00 0.26 H HETATM 1104 H ALA A 1 8.827 10.611 -19.592 1.00 0.26 H HETATM 1105 H ALA A 1 10.347 7.479 -19.518 1.00 0.26 H HETATM 1106 H ALA A 1 12.042 7.338 -17.572 1.00 0.07 H HETATM 1107 H ALA A 1 10.579 7.660 -16.554 1.00 0.07 H HETATM 1108 H ALA A 1 9.551 5.617 -17.378 1.00 0.03 H HETATM 1109 H ALA A 1 11.008 5.296 -18.408 1.00 0.03 H HETATM 1110 H ALA A 1 10.900 5.396 -15.380 1.00 0.03 H HETATM 1111 H ALA A 1 11.079 3.912 -16.431 1.00 0.03 H HETATM 1112 H ALA A 1 13.076 6.183 -16.152 1.00 0.08 H HETATM 1113 H ALA A 1 13.040 3.752 -17.902 1.00 0.19 H HETATM 1114 CB ALA A 1 14.368 5.184 -20.683 1.00 -0.00 C HETATM 1115 H ALA A 1 13.280 5.117 -20.657 1.00 0.03 H HETATM 1116 H ALA A 1 14.669 6.231 -20.710 1.00 0.03 H HETATM 1117 H ALA A 1 14.744 4.674 -21.570 1.00 0.03 H HETATM 1118 H ALA A 1 16.033 4.636 -19.451 1.00 0.11 H HETATM 1119 H ALA A 1 15.029 2.640 -18.580 1.00 0.20 H HETATM 1120 H ALA A 1 13.625 2.939 -19.426 1.00 0.20 H HETATM 1121 H ALA A 1 15.042 2.629 -20.246 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 882 883 1119 1120 1121 CONECT 883 882 884 1114 1118 CONECT 884 883 885 886 CONECT 885 884 CONECT 886 884 887 1113 CONECT 887 886 888 1094 1112 CONECT 888 887 889 890 CONECT 889 888 CONECT 890 888 891 1093 CONECT 891 890 892 1084 1092 CONECT 892 891 893 894 CONECT 893 892 CONECT 894 892 895 1083 CONECT 895 894 896 1066 1082 CONECT 896 895 897 898 CONECT 897 896 CONECT 898 896 899 1065 CONECT 899 898 900 1053 1064 CONECT 900 899 901 902 CONECT 901 900 CONECT 902 900 903 1052 CONECT 903 902 904 1043 1051 CONECT 904 903 905 906 CONECT 905 904 CONECT 906 904 907 1042 CONECT 907 906 908 1037 1041 CONECT 908 907 909 910 CONECT 909 908 CONECT 910 908 911 1036 CONECT 911 910 912 1017 1035 CONECT 912 911 913 914 CONECT 913 912 CONECT 914 912 915 1016 CONECT 915 914 916 941 1015 CONECT 916 915 917 939 940 CONECT 917 916 918 937 938 CONECT 918 917 919 935 936 CONECT 919 918 920 933 934 CONECT 920 919 921 925 929 CONECT 921 920 922 923 924 CONECT 922 921 CONECT 923 921 CONECT 924 921 CONECT 925 920 926 927 928 CONECT 926 925 CONECT 927 925 CONECT 928 925 CONECT 929 920 930 931 932 CONECT 930 929 CONECT 931 929 CONECT 932 929 CONECT 933 919 CONECT 934 919 CONECT 935 918 CONECT 936 918 CONECT 937 917 CONECT 938 917 CONECT 939 916 CONECT 940 916 CONECT 941 915 942 943 CONECT 942 941 CONECT 943 941 944 1014 CONECT 944 943 945 1008 1013 CONECT 945 944 946 947 CONECT 946 945 CONECT 947 945 948 1007 CONECT 948 947 949 998 1006 CONECT 949 948 950 951 CONECT 950 949 CONECT 951 949 952 997 CONECT 952 951 953 995 996 CONECT 953 952 954 955 CONECT 954 953 CONECT 955 953 956 994 CONECT 956 955 957 992 993 CONECT 957 956 958 959 CONECT 958 957 CONECT 959 957 960 991 CONECT 960 959 961 974 990 CONECT 961 960 962 963 CONECT 962 961 CONECT 963 961 964 973 CONECT 964 963 965 968 972 CONECT 965 964 966 967 CONECT 966 965 CONECT 967 965 CONECT 968 964 969 970 971 CONECT 969 968 CONECT 970 968 CONECT 971 968 CONECT 972 964 CONECT 973 963 CONECT 974 960 975 988 989 CONECT 975 974 976 986 987 CONECT 976 975 977 984 985 CONECT 977 976 978 982 983 CONECT 978 977 979 980 981 CONECT 979 978 CONECT 980 978 CONECT 981 978 CONECT 982 977 CONECT 983 977 CONECT 984 976 CONECT 985 976 CONECT 986 975 CONECT 987 975 CONECT 988 974 CONECT 989 974 CONECT 990 960 CONECT 991 959 CONECT 992 956 CONECT 993 956 CONECT 994 955 CONECT 995 952 CONECT 996 952 CONECT 997 951 CONECT 998 948 999 1001 1005 CONECT 999 998 1000 CONECT 1000 999 CONECT 1001 998 1002 1003 1004 CONECT 1002 1001 CONECT 1003 1001 CONECT 1004 1001 CONECT 1005 998 CONECT 1006 948 CONECT 1007 947 CONECT 1008 944 1009 1011 1012 CONECT 1009 1008 1010 CONECT 1010 1009 CONECT 1011 1008 CONECT 1012 1008 CONECT 1013 944 CONECT 1014 943 CONECT 1015 915 CONECT 1016 914 CONECT 1017 911 1018 1033 1034 CONECT 1018 1017 1019 1031 1032 CONECT 1019 1018 1020 1029 1030 CONECT 1020 1019 1021 1028 CONECT 1021 1020 1022 1025 CONECT 1022 1021 1023 1024 CONECT 1023 1022 CONECT 1024 1022 CONECT 1025 1021 1026 1027 CONECT 1026 1025 CONECT 1027 1025 CONECT 1028 1020 CONECT 1029 1019 CONECT 1030 1019 CONECT 1031 1018 CONECT 1032 1018 CONECT 1033 1017 CONECT 1034 1017 CONECT 1035 911 CONECT 1036 910 CONECT 1037 907 1038 1039 1040 CONECT 1038 1037 CONECT 1039 1037 CONECT 1040 1037 CONECT 1041 907 CONECT 1042 906 CONECT 1043 903 1044 1046 1050 CONECT 1044 1043 1045 CONECT 1045 1044 CONECT 1046 1043 1047 1048 1049 CONECT 1047 1046 CONECT 1048 1046 CONECT 1049 1046 CONECT 1050 1043 CONECT 1051 903 CONECT 1052 902 CONECT 1053 899 1054 1062 1063 CONECT 1054 1053 1055 1060 1061 CONECT 1055 1054 1056 1057 CONECT 1056 1055 CONECT 1057 1055 1058 1059 CONECT 1058 1057 CONECT 1059 1057 CONECT 1060 1054 CONECT 1061 1054 CONECT 1062 1053 CONECT 1063 1053 CONECT 1064 899 CONECT 1065 898 CONECT 1066 895 1067 1080 1081 CONECT 1067 1066 1068 1078 1079 CONECT 1068 1067 1069 1076 1077 CONECT 1069 1068 1070 1074 1075 CONECT 1070 1069 1071 1072 1073 CONECT 1071 1070 CONECT 1072 1070 CONECT 1073 1070 CONECT 1074 1069 CONECT 1075 1069 CONECT 1076 1068 CONECT 1077 1068 CONECT 1078 1067 CONECT 1079 1067 CONECT 1080 1066 CONECT 1081 1066 CONECT 1082 895 CONECT 1083 894 CONECT 1084 891 1085 1087 1091 CONECT 1085 1084 1086 CONECT 1086 1085 CONECT 1087 1084 1088 1089 1090 CONECT 1088 1087 CONECT 1089 1087 CONECT 1090 1087 CONECT 1091 1084 CONECT 1092 891 CONECT 1093 890 CONECT 1094 887 1095 1110 1111 CONECT 1095 1094 1096 1108 1109 CONECT 1096 1095 1097 1106 1107 CONECT 1097 1096 1098 1105 CONECT 1098 1097 1099 1102 CONECT 1099 1098 1100 1101 CONECT 1100 1099 CONECT 1101 1099 CONECT 1102 1098 1103 1104 CONECT 1103 1102 CONECT 1104 1102 CONECT 1105 1097 CONECT 1106 1096 CONECT 1107 1096 CONECT 1108 1095 CONECT 1109 1095 CONECT 1110 1094 CONECT 1111 1094 CONECT 1112 887 CONECT 1113 886 CONECT 1114 883 1115 1116 1117 CONECT 1115 1114 CONECT 1116 1114 CONECT 1117 1114 CONECT 1118 883 CONECT 1119 882 CONECT 1120 882 CONECT 1121 882 MASTER 0 0 0 0 0 0 0 0 1120 1 244 5 END
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5jlz
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5ksv
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5o45
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15-mer
5twg
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5u66
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5uwj
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5v4b
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15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
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PDBbind
15-mer
6b5r
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PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
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6rml
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PDBbind
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6q9t
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PDBbind
15-mer
6hol
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PDBbind
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6e5x
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PDBbind
15-mer
6bnt
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PDBbind
15-mer
5zk9
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5zjz
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Entry Information
PDB ID
2l11
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Chromobox protein homolog 3
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=15uM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) J.Biol.Chem. Vol. 286: pp. 521-529
Ligand Properties
Formula
C
6
6
H
1
2
9
N
2
5
O
2
1
Molecular Weight
1608.890
Exact Mass
1607.980
No. of atoms
241
No. of bonds
240
Polar Surface Area
783.65
LOGP Value
-8.43 (
Computed with XLOGP3
)
-9.87 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 22
No. of Hydrogen Bond Acceptors: 21
No. of Rotatable Bonds: 74
No. of Nitrogen and Oxygen Atoms: 46
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CCCC[NH3+])[C@H](O)C)CO)CCCC[N+](C)(C)C)CCC[NH+]=C(N)N)C)[C@H](O)C)CCC(=O)N)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C66H123N25O21/c1-33(69)52(99)82-43(22-17-28-76-66(73)74)58(105)90-51(38(6)95)63(110)86-41(19-11-14-26-68)55(102)85-44(23-24-46(70)96)59(106)89-50(37(5)94)62(109)79-34(2)53(100)83-42(21-16-27-75-65(71)72)56(103)84-40(20-12-15-29-91(7,8)9)57(104)87-45(32-92)60(107)88-49(36(4)93)61(108)78-30-47(97)77-31-48(98)81-39(18-10-13-25-67)54(101)80-35(3)64(111)112/h33-45,49-51,92-95H,10-32,67-69H2,1-9H3,(H24-,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112)/p+6/t33-,34-,35-,36+,37+,38+,39-,40-,41-,42-,43-,44-,45-,49-,50-,51-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q13185
P84233
Entrez Gene ID
NCBI Entrez Gene ID:
11335
100049126
108695575
108704296
108704297
108704298
108705672
108716540
108716541
ASD
Information of known allosteric effects of PDB entries
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