Browse entries in the PDBbind-CN Database
HEADER 5SVX_COMPLEX COMPND 5SVX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 49 SER ASP GLN THR TRP VAL GLN CYS ASP ALA CYS LEU LYS SEQRES 2 A 49 TRP ARG LYS LEU PRO ASP GLY MET ASP GLN LEU PRO GLU SEQRES 3 A 49 LYS TRP TYR CYS SER ASN ASN PRO ASP PRO GLN PHE ARG SEQRES 4 A 49 ASN CYS GLU VAL PRO GLU GLU PRO GLU ASP HET ZN A 1 1 HET ALA A 154 194 ATOM 1 N SER A 0 64.678 73.644 -7.680 1.00 24.83 N ATOM 2 CA SER A 0 65.843 73.839 -6.777 1.00 21.12 C ATOM 3 C SER A 0 65.431 73.697 -5.316 1.00 18.96 C ATOM 4 O SER A 0 64.351 74.132 -4.915 1.00 19.74 O ATOM 5 CB SER A 0 66.478 75.213 -7.001 1.00 24.50 C ATOM 6 OG SER A 0 66.655 75.473 -8.381 1.00 30.27 O ATOM 7 HG SER A 0 65.776 75.452 -8.835 1.00 0.00 H ATOM 8 HN3 SER A 0 63.952 74.358 -7.466 1.00 0.00 H ATOM 9 HN2 SER A 0 64.284 72.693 -7.535 1.00 0.00 H ATOM 10 HN1 SER A 0 64.986 73.746 -8.668 1.00 0.00 H ATOM 11 N ASP A 1 66.309 73.083 -4.532 1.00 14.49 N ATOM 12 CA ASP A 1 66.082 72.886 -3.108 1.00 11.83 C ATOM 13 C ASP A 1 66.672 74.036 -2.302 1.00 11.89 C ATOM 14 O ASP A 1 67.458 74.840 -2.808 1.00 12.62 O ATOM 15 CB ASP A 1 66.703 71.567 -2.643 1.00 14.33 C ATOM 16 CG ASP A 1 66.002 70.347 -3.213 1.00 22.50 C ATOM 17 OD1 ASP A 1 64.810 70.444 -3.578 1.00 20.73 O ATOM 18 OD2 ASP A 1 66.649 69.280 -3.283 1.00 31.13 O ATOM 19 H ASP A 1 67.193 72.729 -4.951 1.00 0.00 H ATOM 20 N GLN A 2 66.290 74.083 -1.035 1.00 10.54 N ATOM 21 CA GLN A 2 66.832 75.036 -0.078 1.00 8.86 C ATOM 22 C GLN A 2 68.023 74.437 0.652 1.00 9.53 C ATOM 23 O GLN A 2 67.908 73.366 1.239 1.00 9.23 O ATOM 24 CB GLN A 2 65.752 75.430 0.929 1.00 8.38 C ATOM 25 CG GLN A 2 66.218 76.379 2.022 1.00 6.03 C ATOM 26 CD GLN A 2 66.451 77.770 1.493 1.00 8.38 C ATOM 27 OE1 GLN A 2 65.532 78.414 0.987 1.00 9.96 O ATOM 28 NE2 GLN A 2 67.686 78.243 1.592 1.00 7.46 N ATOM 29 HE22 GLN A 2 68.432 77.663 2.027 1.00 0.00 H ATOM 30 HE21 GLN A 2 67.909 79.194 1.234 1.00 0.00 H ATOM 31 H GLN A 2 65.569 73.408 -0.709 1.00 0.00 H ATOM 32 N THR A 3 69.157 75.130 0.630 1.00 7.38 N ATOM 33 CA THR A 3 70.304 74.717 1.426 1.00 6.70 C ATOM 34 C THR A 3 70.221 75.352 2.806 1.00 6.14 C ATOM 35 O THR A 3 69.881 76.530 2.939 1.00 6.74 O ATOM 36 CB THR A 3 71.630 75.105 0.767 1.00 9.80 C ATOM 37 OG1 THR A 3 71.710 74.495 -0.524 1.00 13.34 O ATOM 38 CG2 THR A 3 72.807 74.643 1.613 1.00 9.79 C ATOM 39 HG1 THR A 3 72.567 74.744 -0.953 1.00 0.00 H ATOM 40 H THR A 3 69.226 75.980 0.035 1.00 0.00 H ATOM 41 N TRP A 4 70.510 74.545 3.824 1.00 5.41 N ATOM 42 CA TRP A 4 70.658 75.020 5.196 1.00 5.36 C ATOM 43 C TRP A 4 72.036 74.642 5.704 1.00 6.43 C ATOM 44 O TRP A 4 72.601 73.637 5.272 1.00 7.23 O ATOM 45 CB TRP A 4 69.638 74.407 6.149 1.00 5.05 C ATOM 46 CG TRP A 4 68.189 74.446 5.767 1.00 5.04 C ATOM 47 CD1 TRP A 4 67.612 73.899 4.659 1.00 7.44 C ATOM 48 CD2 TRP A 4 67.121 75.006 6.544 1.00 5.57 C ATOM 49 NE1 TRP A 4 66.252 74.104 4.689 1.00 7.38 N ATOM 50 CE2 TRP A 4 65.928 74.777 5.837 1.00 7.75 C ATOM 51 CE3 TRP A 4 67.064 75.682 7.767 1.00 6.74 C ATOM 52 CZ2 TRP A 4 64.687 75.208 6.310 1.00 8.93 C ATOM 53 CZ3 TRP A 4 65.837 76.107 8.234 1.00 8.11 C ATOM 54 CH2 TRP A 4 64.663 75.870 7.508 1.00 8.89 C ATOM 55 HE1 TRP A 4 65.579 73.797 3.958 1.00 0.00 H ATOM 56 H TRP A 4 70.636 73.530 3.633 1.00 0.00 H ATOM 57 N VAL A 5 72.543 75.423 6.653 1.00 4.84 N ATOM 58 CA VAL A 5 73.780 75.099 7.364 1.00 4.19 C ATOM 59 C VAL A 5 73.493 75.095 8.863 1.00 5.94 C ATOM 60 O VAL A 5 72.680 75.880 9.348 1.00 6.56 O ATOM 61 CB VAL A 5 74.912 76.102 7.035 1.00 5.38 C ATOM 62 CG1 VAL A 5 74.513 77.534 7.415 1.00 6.48 C ATOM 63 CG2 VAL A 5 76.208 75.704 7.721 1.00 7.00 C ATOM 64 H VAL A 5 72.040 76.299 6.900 1.00 0.00 H ATOM 65 N GLN A 6 74.150 74.203 9.597 1.00 4.73 N ATOM 66 CA GLN A 6 73.964 74.148 11.041 1.00 4.95 C ATOM 67 C GLN A 6 75.007 74.974 11.773 1.00 5.17 C ATOM 68 O GLN A 6 76.201 74.876 11.499 1.00 6.56 O ATOM 69 CB GLN A 6 74.012 72.707 11.549 1.00 5.71 C ATOM 70 CG GLN A 6 73.672 72.608 13.022 1.00 6.07 C ATOM 71 CD GLN A 6 73.585 71.184 13.513 1.00 8.68 C ATOM 72 OE1 GLN A 6 74.530 70.408 13.375 1.00 8.85 O ATOM 73 NE2 GLN A 6 72.446 70.831 14.094 1.00 10.34 N ATOM 74 HE22 GLN A 6 71.674 71.522 14.188 1.00 0.00 H ATOM 75 HE21 GLN A 6 72.325 69.863 14.455 1.00 0.00 H ATOM 76 H GLN A 6 74.803 73.538 9.136 1.00 0.00 H ATOM 77 N CYS A 7 74.544 75.791 12.709 1.00 5.59 N ATOM 78 CA CYS A 7 75.440 76.510 13.600 1.00 4.79 C ATOM 79 C CYS A 7 76.158 75.543 14.533 1.00 5.69 C ATOM 80 O CYS A 7 75.527 74.748 15.218 1.00 6.24 O ATOM 81 CB CYS A 7 74.671 77.540 14.421 1.00 6.11 C ATOM 82 SG CYS A 7 75.733 78.429 15.575 1.00 5.73 S ATOM 83 H CYS A 7 73.517 75.920 12.808 1.00 0.00 H ATOM 84 N ASP A 8 77.482 75.619 14.569 1.00 5.50 N ATOM 85 CA ASP A 8 78.248 74.676 15.370 1.00 6.31 C ATOM 86 C ASP A 8 78.283 75.056 16.853 1.00 9.30 C ATOM 87 O ASP A 8 78.820 74.307 17.670 1.00 11.81 O ATOM 88 CB ASP A 8 79.658 74.551 14.791 1.00 6.47 C ATOM 89 CG ASP A 8 79.672 73.764 13.482 1.00 9.29 C ATOM 90 OD1 ASP A 8 78.980 72.726 13.413 1.00 10.27 O ATOM 91 OD2 ASP A 8 80.346 74.178 12.512 1.00 9.63 O ATOM 92 H ASP A 8 77.974 76.355 14.023 1.00 0.00 H ATOM 93 N ALA A 9 77.681 76.191 17.205 1.00 6.40 N ATOM 94 CA ALA A 9 77.545 76.585 18.611 1.00 6.86 C ATOM 95 C ALA A 9 76.173 76.217 19.169 1.00 7.74 C ATOM 96 O ALA A 9 76.081 75.566 20.211 1.00 11.77 O ATOM 97 CB ALA A 9 77.789 78.078 18.774 1.00 9.26 C ATOM 98 H ALA A 9 77.298 76.813 16.465 1.00 0.00 H ATOM 99 N CYS A 10 75.108 76.631 18.481 1.00 7.75 N ATOM 100 CA CYS A 10 73.754 76.470 19.017 1.00 6.36 C ATOM 101 C CYS A 10 72.953 75.349 18.344 1.00 5.84 C ATOM 102 O CYS A 10 71.869 74.996 18.809 1.00 8.23 O ATOM 103 CB CYS A 10 72.987 77.797 18.912 1.00 7.46 C ATOM 104 SG CYS A 10 72.333 78.207 17.277 1.00 6.26 S ATOM 105 H CYS A 10 75.241 77.075 17.550 1.00 0.00 H ATOM 106 N LEU A 11 73.496 74.811 17.251 1.00 6.72 N ATOM 107 CA LEU A 11 72.931 73.668 16.526 1.00 5.86 C ATOM 108 C LEU A 11 71.630 73.994 15.785 1.00 5.81 C ATOM 109 O LEU A 11 70.958 73.094 15.271 1.00 7.65 O ATOM 110 CB LEU A 11 72.715 72.482 17.477 1.00 7.16 C ATOM 111 CG LEU A 11 73.977 71.988 18.188 1.00 9.62 C ATOM 112 CD1 LEU A 11 73.635 70.788 19.069 1.00 14.08 C ATOM 113 CD2 LEU A 11 75.077 71.628 17.194 1.00 12.17 C ATOM 114 H LEU A 11 74.377 75.229 16.889 1.00 0.00 H ATOM 115 N LYS A 12 71.290 75.274 15.680 1.00 5.56 N ATOM 116 CA LYS A 12 70.178 75.666 14.816 1.00 5.38 C ATOM 117 C LYS A 12 70.579 75.591 13.351 1.00 5.82 C ATOM 118 O LYS A 12 71.723 75.863 12.981 1.00 6.49 O ATOM 119 CB LYS A 12 69.696 77.079 15.129 1.00 6.50 C ATOM 120 CG LYS A 12 69.037 77.226 16.484 1.00 7.00 C ATOM 121 CD LYS A 12 68.545 78.647 16.682 1.00 8.21 C ATOM 122 CE LYS A 12 67.972 78.860 18.069 1.00 9.39 C ATOM 123 NZ LYS A 12 69.011 78.730 19.120 1.00 9.28 N ATOM 124 HZ1 LYS A 12 69.425 77.777 19.080 1.00 0.00 H ATOM 125 HZ2 LYS A 12 69.754 79.440 18.961 1.00 0.00 H ATOM 126 HZ3 LYS A 12 68.579 78.883 20.054 1.00 0.00 H ATOM 127 H LYS A 12 71.815 75.997 16.212 1.00 0.00 H ATOM 128 N TRP A 13 69.612 75.230 12.522 1.00 5.25 N ATOM 129 CA TRP A 13 69.779 75.249 11.084 1.00 5.24 C ATOM 130 C TRP A 13 69.374 76.603 10.509 1.00 4.42 C ATOM 131 O TRP A 13 68.313 77.144 10.851 1.00 5.24 O ATOM 132 CB TRP A 13 68.952 74.136 10.451 1.00 5.45 C ATOM 133 CG TRP A 13 69.448 72.778 10.804 1.00 6.58 C ATOM 134 CD1 TRP A 13 69.069 72.009 11.868 1.00 7.38 C ATOM 135 CD2 TRP A 13 70.424 72.018 10.087 1.00 7.06 C ATOM 136 NE1 TRP A 13 69.752 70.815 11.855 1.00 7.30 N ATOM 137 CE2 TRP A 13 70.592 70.800 10.772 1.00 6.58 C ATOM 138 CE3 TRP A 13 71.178 72.254 8.936 1.00 5.56 C ATOM 139 CZ2 TRP A 13 71.472 69.816 10.335 1.00 7.29 C ATOM 140 CZ3 TRP A 13 72.053 71.279 8.507 1.00 6.19 C ATOM 141 CH2 TRP A 13 72.192 70.075 9.204 1.00 7.13 C ATOM 142 HE1 TRP A 13 69.648 70.050 12.552 1.00 0.00 H ATOM 143 H TRP A 13 68.701 74.922 12.917 1.00 0.00 H ATOM 144 N ARG A 14 70.229 77.135 9.639 1.00 4.67 N ATOM 145 CA ARG A 14 70.012 78.432 9.004 1.00 3.83 C ATOM 146 C ARG A 14 69.964 78.282 7.495 1.00 4.54 C ATOM 147 O ARG A 14 70.833 77.659 6.904 1.00 5.53 O ATOM 148 CB ARG A 14 71.119 79.417 9.381 1.00 4.93 C ATOM 149 CG ARG A 14 71.278 79.628 10.868 1.00 5.18 C ATOM 150 CD ARG A 14 69.999 80.123 11.506 1.00 5.07 C ATOM 151 NE ARG A 14 70.254 80.667 12.839 1.00 6.57 N ATOM 152 CZ ARG A 14 69.306 81.004 13.709 1.00 4.18 C ATOM 153 NH1 ARG A 14 68.028 80.834 13.410 1.00 4.78 N ATOM 154 NH2 ARG A 14 69.643 81.494 14.891 1.00 5.84 N ATOM 155 HE ARG A 14 71.245 80.800 13.127 1.00 0.00 H ATOM 156 HH12 ARG A 14 67.293 81.100 14.096 1.00 0.00 H ATOM 157 HH11 ARG A 14 67.758 80.434 12.489 1.00 0.00 H ATOM 158 HH22 ARG A 14 68.905 81.759 15.574 1.00 0.00 H ATOM 159 HH21 ARG A 14 70.646 81.615 15.137 1.00 0.00 H ATOM 160 H ARG A 14 71.090 76.603 9.401 1.00 0.00 H ATOM 161 N LYS A 15 68.945 78.862 6.873 1.00 4.58 N ATOM 162 CA LYS A 15 68.874 78.899 5.422 1.00 5.25 C ATOM 163 C LYS A 15 70.022 79.717 4.863 1.00 4.79 C ATOM 164 O LYS A 15 70.394 80.739 5.442 1.00 6.83 O ATOM 165 CB LYS A 15 67.552 79.499 4.962 1.00 5.01 C ATOM 166 CG LYS A 15 66.330 78.681 5.331 1.00 6.38 C ATOM 167 CD LYS A 15 65.087 79.280 4.712 1.00 7.42 C ATOM 168 CE LYS A 15 63.834 78.570 5.167 1.00 9.93 C ATOM 169 NZ LYS A 15 62.636 79.036 4.402 1.00 12.71 N ATOM 170 HZ1 LYS A 15 62.509 80.058 4.548 1.00 0.00 H ATOM 171 HZ2 LYS A 15 62.776 78.844 3.390 1.00 0.00 H ATOM 172 HZ3 LYS A 15 61.793 78.529 4.739 1.00 0.00 H ATOM 173 H LYS A 15 68.185 79.297 7.433 1.00 0.00 H ATOM 174 N LEU A 16 70.577 79.260 3.744 1.00 5.57 N ATOM 175 CA LEU A 16 71.619 79.986 3.030 1.00 6.21 C ATOM 176 C LEU A 16 71.152 80.356 1.635 1.00 6.66 C ATOM 177 O LEU A 16 70.307 79.670 1.073 1.00 7.51 O ATOM 178 CB LEU A 16 72.888 79.149 2.918 1.00 10.03 C ATOM 179 CG LEU A 16 73.689 78.917 4.194 1.00 8.13 C ATOM 180 CD1 LEU A 16 74.844 77.977 3.888 1.00 11.20 C ATOM 181 CD2 LEU A 16 74.201 80.232 4.763 1.00 9.47 C ATOM 182 H LEU A 16 70.254 78.348 3.363 1.00 0.00 H ATOM 183 N PRO A 17 71.728 81.424 1.064 1.00 6.65 N ATOM 184 CA PRO A 17 71.460 81.762 -0.338 1.00 8.73 C ATOM 185 C PRO A 17 71.833 80.612 -1.253 1.00 9.99 C ATOM 186 O PRO A 17 72.801 79.908 -0.971 1.00 8.85 O ATOM 187 CB PRO A 17 72.364 82.971 -0.595 1.00 9.55 C ATOM 188 CG PRO A 17 72.681 83.521 0.745 1.00 11.48 C ATOM 189 CD PRO A 17 72.686 82.357 1.680 1.00 9.16 C ATOM 190 N ASP A 18 71.087 80.428 -2.336 1.00 8.77 N ATOM 191 CA ASP A 18 71.443 79.418 -3.317 1.00 10.90 C ATOM 192 C ASP A 18 72.824 79.749 -3.866 1.00 10.93 C ATOM 193 O ASP A 18 73.166 80.916 -4.035 1.00 13.06 O ATOM 194 CB ASP A 18 70.435 79.359 -4.472 1.00 9.23 C ATOM 195 CG ASP A 18 69.002 79.087 -4.022 1.00 11.23 C ATOM 196 OD1 ASP A 18 68.764 78.750 -2.843 1.00 9.98 O ATOM 197 OD2 ASP A 18 68.097 79.198 -4.880 1.00 9.14 O ATOM 198 H ASP A 18 70.240 81.013 -2.483 1.00 0.00 H ATOM 199 N GLY A 19 73.617 78.726 -4.143 1.00 12.30 N ATOM 200 CA GLY A 19 74.912 78.943 -4.763 1.00 13.79 C ATOM 201 C GLY A 19 75.994 79.437 -3.822 1.00 16.39 C ATOM 202 O GLY A 19 77.080 79.798 -4.265 1.00 12.71 O ATOM 203 H GLY A 19 73.310 77.759 -3.915 1.00 0.00 H ATOM 204 N MET A 20 75.699 79.481 -2.526 1.00 15.32 N ATOM 205 CA MET A 20 76.749 79.604 -1.525 1.00 16.42 C ATOM 206 C MET A 20 77.336 78.209 -1.359 1.00 25.06 C ATOM 207 O MET A 20 76.970 77.470 -0.444 1.00 29.41 O ATOM 208 CB MET A 20 76.208 80.149 -0.200 1.00 17.44 C ATOM 209 CG MET A 20 76.663 81.556 0.129 1.00 32.69 C ATOM 210 SD MET A 20 76.700 81.844 1.910 1.00 34.76 S ATOM 211 CE MET A 20 78.178 82.848 2.045 1.00 37.12 C ATOM 212 H MET A 20 74.705 79.427 -2.224 1.00 0.00 H ATOM 213 N ASP A 21 78.236 77.850 -2.269 1.00 21.38 N ATOM 214 CA ASP A 21 78.677 76.465 -2.415 1.00 27.34 C ATOM 215 C ASP A 21 80.001 76.184 -1.714 1.00 30.30 C ATOM 216 O ASP A 21 80.484 75.051 -1.729 1.00 34.86 O ATOM 217 CB ASP A 21 78.798 76.108 -3.900 1.00 28.28 C ATOM 218 CG ASP A 21 79.777 77.003 -4.640 1.00 28.18 C ATOM 219 OD1 ASP A 21 79.922 78.182 -4.251 1.00 32.49 O ATOM 220 OD2 ASP A 21 80.400 76.531 -5.615 1.00 32.24 O ATOM 221 H ASP A 21 78.638 78.576 -2.895 1.00 0.00 H ATOM 222 N GLN A 22 80.582 77.212 -1.104 1.00 25.17 N ATOM 223 CA GLN A 22 81.842 77.062 -0.386 1.00 29.19 C ATOM 224 C GLN A 22 81.742 77.685 1.001 1.00 24.98 C ATOM 225 O GLN A 22 81.582 78.898 1.144 1.00 31.25 O ATOM 226 CB GLN A 22 82.989 77.692 -1.176 1.00 32.67 C ATOM 227 CG GLN A 22 83.245 77.009 -2.512 1.00 37.82 C ATOM 228 CD GLN A 22 84.554 77.435 -3.157 1.00 43.84 C ATOM 229 OE1 GLN A 22 85.573 77.589 -2.481 1.00 48.68 O ATOM 230 NE2 GLN A 22 84.531 77.623 -4.472 1.00 41.93 N ATOM 231 HE22 GLN A 22 83.648 77.481 -5.002 1.00 0.00 H ATOM 232 HE21 GLN A 22 85.396 77.912 -4.971 1.00 0.00 H ATOM 233 H GLN A 22 80.127 78.146 -1.140 1.00 0.00 H ATOM 234 N LEU A 23 81.832 76.832 2.017 1.00 14.97 N ATOM 235 CA LEU A 23 81.732 77.253 3.408 1.00 11.62 C ATOM 236 C LEU A 23 82.997 76.881 4.167 1.00 10.97 C ATOM 237 O LEU A 23 83.731 75.984 3.747 1.00 12.51 O ATOM 238 CB LEU A 23 80.514 76.605 4.074 1.00 10.67 C ATOM 239 CG LEU A 23 79.163 76.984 3.469 1.00 11.89 C ATOM 240 CD1 LEU A 23 78.086 76.015 3.932 1.00 13.51 C ATOM 241 CD2 LEU A 23 78.796 78.416 3.843 1.00 14.36 C ATOM 242 H LEU A 23 81.980 75.824 1.810 1.00 0.00 H ATOM 243 N PRO A 24 83.258 77.569 5.288 1.00 10.19 N ATOM 244 CA PRO A 24 84.354 77.173 6.176 1.00 10.05 C ATOM 245 C PRO A 24 84.071 75.831 6.838 1.00 9.44 C ATOM 246 O PRO A 24 82.933 75.356 6.783 1.00 10.67 O ATOM 247 CB PRO A 24 84.397 78.303 7.213 1.00 10.85 C ATOM 248 CG PRO A 24 83.020 78.882 7.194 1.00 13.48 C ATOM 249 CD PRO A 24 82.567 78.776 5.777 1.00 11.74 C ATOM 250 N GLU A 25 85.079 75.222 7.450 1.00 9.96 N ATOM 251 CA GLU A 25 84.861 73.961 8.145 1.00 10.08 C ATOM 252 C GLU A 25 83.836 74.147 9.259 1.00 9.70 C ATOM 253 O GLU A 25 82.859 73.397 9.344 1.00 10.31 O ATOM 254 CB GLU A 25 86.170 73.413 8.712 1.00 11.82 C ATOM 255 CG GLU A 25 85.987 72.312 9.752 1.00 14.41 C ATOM 256 CD GLU A 25 85.112 71.182 9.249 1.00 13.09 C ATOM 257 OE1 GLU A 25 85.245 70.821 8.062 1.00 15.45 O ATOM 258 OE2 GLU A 25 84.290 70.660 10.032 1.00 12.17 O ATOM 259 H GLU A 25 86.028 75.647 7.433 1.00 0.00 H ATOM 260 N LYS A 26 84.056 75.145 10.110 1.00 9.00 N ATOM 261 CA LYS A 26 83.098 75.478 11.161 1.00 8.57 C ATOM 262 C LYS A 26 82.296 76.703 10.749 1.00 8.44 C ATOM 263 O LYS A 26 82.817 77.622 10.117 1.00 9.74 O ATOM 264 CB LYS A 26 83.806 75.724 12.494 1.00 11.80 C ATOM 265 CG LYS A 26 84.571 74.509 13.022 1.00 15.09 C ATOM 266 CD LYS A 26 84.070 74.086 14.383 1.00 26.62 C ATOM 267 CE LYS A 26 84.864 72.911 14.938 1.00 32.64 C ATOM 268 NZ LYS A 26 86.332 73.156 14.953 1.00 38.85 N ATOM 269 HZ1 LYS A 26 86.663 73.331 13.983 1.00 0.00 H ATOM 270 HZ2 LYS A 26 86.538 73.985 15.546 1.00 0.00 H ATOM 271 HZ3 LYS A 26 86.817 72.322 15.341 1.00 0.00 H ATOM 272 H LYS A 26 84.931 75.701 10.025 1.00 0.00 H ATOM 273 N TRP A 27 81.015 76.694 11.096 1.00 6.03 N ATOM 274 CA TRP A 27 80.103 77.770 10.741 1.00 4.96 C ATOM 275 C TRP A 27 79.235 78.114 11.940 1.00 5.45 C ATOM 276 O TRP A 27 78.792 77.223 12.670 1.00 5.48 O ATOM 277 CB TRP A 27 79.226 77.365 9.553 1.00 5.84 C ATOM 278 CG TRP A 27 78.462 78.495 8.952 1.00 5.60 C ATOM 279 CD1 TRP A 27 78.833 79.252 7.881 1.00 6.89 C ATOM 280 CD2 TRP A 27 77.185 78.991 9.372 1.00 5.61 C ATOM 281 NE1 TRP A 27 77.872 80.194 7.611 1.00 6.70 N ATOM 282 CE2 TRP A 27 76.853 80.057 8.514 1.00 5.12 C ATOM 283 CE3 TRP A 27 76.297 78.643 10.392 1.00 5.00 C ATOM 284 CZ2 TRP A 27 75.668 80.776 8.646 1.00 5.77 C ATOM 285 CZ3 TRP A 27 75.124 79.360 10.520 1.00 6.30 C ATOM 286 CH2 TRP A 27 74.821 80.413 9.655 1.00 5.60 C ATOM 287 HE1 TRP A 27 77.912 80.897 6.845 1.00 0.00 H ATOM 288 H TRP A 27 80.650 75.888 11.642 1.00 0.00 H ATOM 289 N TYR A 28 79.001 79.408 12.136 1.00 4.52 N ATOM 290 CA TYR A 28 78.187 79.904 13.237 1.00 4.66 C ATOM 291 C TYR A 28 77.195 80.948 12.757 1.00 5.82 C ATOM 292 O TYR A 28 77.419 81.604 11.745 1.00 5.54 O ATOM 293 CB TYR A 28 79.067 80.522 14.323 1.00 4.99 C ATOM 294 CG TYR A 28 80.194 79.636 14.775 1.00 7.13 C ATOM 295 CD1 TYR A 28 80.012 78.727 15.803 1.00 7.49 C ATOM 296 CD2 TYR A 28 81.443 79.716 14.180 1.00 9.00 C ATOM 297 CE1 TYR A 28 81.039 77.914 16.224 1.00 9.84 C ATOM 298 CE2 TYR A 28 82.482 78.905 14.599 1.00 9.38 C ATOM 299 CZ TYR A 28 82.270 78.008 15.616 1.00 11.21 C ATOM 300 OH TYR A 28 83.298 77.193 16.038 1.00 18.35 O ATOM 301 HH TYR A 28 82.977 76.612 16.772 1.00 0.00 H ATOM 302 H TYR A 28 79.417 80.095 11.475 1.00 0.00 H ATOM 303 N CYS A 29 76.118 81.117 13.515 1.00 4.97 N ATOM 304 CA CYS A 29 75.095 82.103 13.191 1.00 5.58 C ATOM 305 C CYS A 29 75.705 83.466 12.906 1.00 5.68 C ATOM 306 O CYS A 29 75.256 84.176 12.014 1.00 5.83 O ATOM 307 CB CYS A 29 74.091 82.220 14.332 1.00 5.13 C ATOM 308 SG CYS A 29 73.048 80.784 14.584 1.00 5.46 S ATOM 309 H CYS A 29 76.001 80.529 14.365 1.00 0.00 H ATOM 310 N SER A 30 76.746 83.819 13.654 1.00 6.02 N ATOM 311 CA SER A 30 77.381 85.124 13.500 1.00 7.63 C ATOM 312 C SER A 30 77.935 85.360 12.092 1.00 7.50 C ATOM 313 O SER A 30 78.211 86.499 11.721 1.00 8.91 O ATOM 314 CB SER A 30 78.494 85.284 14.536 1.00 8.62 C ATOM 315 OG SER A 30 79.372 84.176 14.517 1.00 10.39 O ATOM 316 HG SER A 30 80.081 84.306 15.196 1.00 0.00 H ATOM 317 H SER A 30 77.115 83.153 14.362 1.00 0.00 H ATOM 318 N ASN A 31 78.085 84.294 11.308 1.00 6.37 N ATOM 319 CA ASN A 31 78.578 84.418 9.934 1.00 7.97 C ATOM 320 C ASN A 31 77.478 84.491 8.884 1.00 8.72 C ATOM 321 O ASN A 31 77.759 84.517 7.684 1.00 9.43 O ATOM 322 CB ASN A 31 79.495 83.249 9.597 1.00 8.44 C ATOM 323 CG ASN A 31 80.448 83.569 8.460 1.00 17.63 C ATOM 324 OD1 ASN A 31 80.755 84.734 8.200 1.00 17.14 O ATOM 325 ND2 ASN A 31 80.919 82.536 7.776 1.00 28.44 N ATOM 326 HD22 ASN A 31 80.632 81.569 8.031 1.00 0.00 H ATOM 327 HD21 ASN A 31 81.575 82.692 6.984 1.00 0.00 H ATOM 328 H ASN A 31 77.847 83.352 11.679 1.00 0.00 H ATOM 329 N ASN A 32 76.228 84.523 9.327 1.00 7.32 N ATOM 330 CA ASN A 32 75.099 84.506 8.400 1.00 7.01 C ATOM 331 C ASN A 32 75.064 85.762 7.528 1.00 7.56 C ATOM 332 O ASN A 32 75.110 86.871 8.050 1.00 7.81 O ATOM 333 CB ASN A 32 73.791 84.374 9.182 1.00 5.52 C ATOM 334 CG ASN A 32 72.652 83.862 8.333 1.00 6.38 C ATOM 335 OD1 ASN A 32 72.569 84.150 7.137 1.00 7.25 O ATOM 336 ND2 ASN A 32 71.767 83.096 8.946 1.00 6.13 N ATOM 337 HD22 ASN A 32 71.878 82.880 9.957 1.00 0.00 H ATOM 338 HD21 ASN A 32 70.959 82.709 8.417 1.00 0.00 H ATOM 339 H ASN A 32 76.049 84.561 10.351 1.00 0.00 H ATOM 340 N PRO A 33 74.988 85.597 6.194 1.00 7.35 N ATOM 341 CA PRO A 33 74.845 86.815 5.384 1.00 7.07 C ATOM 342 C PRO A 33 73.555 87.582 5.663 1.00 10.10 C ATOM 343 O PRO A 33 73.491 88.774 5.349 1.00 11.94 O ATOM 344 CB PRO A 33 74.866 86.296 3.938 1.00 11.31 C ATOM 345 CG PRO A 33 74.649 84.834 4.023 1.00 14.35 C ATOM 346 CD PRO A 33 75.154 84.394 5.360 1.00 10.26 C ATOM 347 N ASP A 34 72.559 86.915 6.242 1.00 7.37 N ATOM 348 CA ASP A 34 71.288 87.551 6.571 1.00 7.92 C ATOM 349 C ASP A 34 71.337 88.064 8.006 1.00 7.79 C ATOM 350 O ASP A 34 71.426 87.272 8.935 1.00 7.43 O ATOM 351 CB ASP A 34 70.137 86.559 6.395 1.00 8.58 C ATOM 352 CG ASP A 34 68.771 87.195 6.590 1.00 8.71 C ATOM 353 OD1 ASP A 34 68.690 88.337 7.090 1.00 10.32 O ATOM 354 OD2 ASP A 34 67.764 86.540 6.246 1.00 10.67 O ATOM 355 H ASP A 34 72.691 85.908 6.467 1.00 0.00 H ATOM 356 N PRO A 35 71.272 89.393 8.195 1.00 7.84 N ATOM 357 CA PRO A 35 71.399 89.899 9.567 1.00 7.55 C ATOM 358 C PRO A 35 70.244 89.493 10.489 1.00 9.14 C ATOM 359 O PRO A 35 70.386 89.595 11.704 1.00 12.54 O ATOM 360 CB PRO A 35 71.437 91.420 9.377 1.00 11.13 C ATOM 361 CG PRO A 35 70.819 91.667 8.057 1.00 16.28 C ATOM 362 CD PRO A 35 71.136 90.480 7.212 1.00 10.06 C ATOM 363 N GLN A 36 69.126 89.038 9.932 1.00 8.05 N ATOM 364 CA GLN A 36 68.001 88.605 10.752 1.00 9.39 C ATOM 365 C GLN A 36 68.306 87.330 11.533 1.00 9.90 C ATOM 366 O GLN A 36 67.685 87.066 12.565 1.00 11.14 O ATOM 367 CB GLN A 36 66.759 88.368 9.893 1.00 9.80 C ATOM 368 CG GLN A 36 66.166 89.616 9.290 1.00 10.38 C ATOM 369 CD GLN A 36 64.733 89.415 8.851 1.00 10.63 C ATOM 370 OE1 GLN A 36 64.000 88.607 9.429 1.00 12.05 O ATOM 371 NE2 GLN A 36 64.324 90.149 7.825 1.00 16.15 N ATOM 372 HE22 GLN A 36 64.978 90.817 7.370 1.00 0.00 H ATOM 373 HE21 GLN A 36 63.349 90.057 7.476 1.00 0.00 H ATOM 374 H GLN A 36 69.053 88.990 8.896 1.00 0.00 H ATOM 375 N PHE A 37 69.249 86.533 11.036 1.00 7.50 N ATOM 376 CA PHE A 37 69.544 85.226 11.628 1.00 7.69 C ATOM 377 C PHE A 37 71.019 85.096 11.989 1.00 9.20 C ATOM 378 O PHE A 37 71.618 84.032 11.832 1.00 9.37 O ATOM 379 CB PHE A 37 69.128 84.115 10.662 1.00 7.68 C ATOM 380 CG PHE A 37 67.657 84.110 10.357 1.00 8.29 C ATOM 381 CD1 PHE A 37 66.758 83.522 11.233 1.00 8.09 C ATOM 382 CD2 PHE A 37 67.170 84.703 9.208 1.00 8.29 C ATOM 383 CE1 PHE A 37 65.409 83.523 10.970 1.00 10.30 C ATOM 384 CE2 PHE A 37 65.817 84.705 8.934 1.00 8.57 C ATOM 385 CZ PHE A 37 64.933 84.113 9.816 1.00 9.36 C ATOM 386 H PHE A 37 69.791 86.846 10.205 1.00 0.00 H ATOM 387 N ARG A 38 71.581 86.188 12.496 1.00 8.25 N ATOM 388 CA ARG A 38 73.006 86.293 12.766 1.00 7.68 C ATOM 389 C ARG A 38 73.329 86.159 14.260 1.00 10.05 C ATOM 390 O ARG A 38 74.469 86.352 14.679 1.00 14.36 O ATOM 391 CB ARG A 38 73.513 87.629 12.222 1.00 12.35 C ATOM 392 CG ARG A 38 74.987 87.698 11.939 1.00 12.68 C ATOM 393 CD ARG A 38 75.322 89.031 11.301 1.00 9.78 C ATOM 394 NE ARG A 38 75.090 89.040 9.861 1.00 10.32 N ATOM 395 CZ ARG A 38 75.126 90.132 9.109 1.00 10.03 C ATOM 396 NH1 ARG A 38 75.352 91.316 9.665 1.00 10.77 N ATOM 397 NH2 ARG A 38 74.923 90.045 7.802 1.00 13.07 N ATOM 398 HE ARG A 38 74.883 88.134 9.395 1.00 0.00 H ATOM 399 HH12 ARG A 38 75.380 92.171 9.074 1.00 0.00 H ATOM 400 HH11 ARG A 38 75.501 91.388 10.692 1.00 0.00 H ATOM 401 HH22 ARG A 38 74.951 90.902 7.213 1.00 0.00 H ATOM 402 HH21 ARG A 38 74.735 89.120 7.365 1.00 0.00 H ATOM 403 H ARG A 38 70.974 87.005 12.710 1.00 0.00 H ATOM 404 N ASN A 39 72.317 85.821 15.051 1.00 7.24 N ATOM 405 CA ASN A 39 72.463 85.645 16.485 1.00 10.32 C ATOM 406 C ASN A 39 71.882 84.293 16.880 1.00 8.83 C ATOM 407 O ASN A 39 70.797 83.929 16.434 1.00 7.43 O ATOM 408 CB ASN A 39 71.764 86.778 17.241 1.00 12.24 C ATOM 409 CG ASN A 39 72.121 86.808 18.712 1.00 16.46 C ATOM 410 OD1 ASN A 39 71.770 85.903 19.470 1.00 15.13 O ATOM 411 ND2 ASN A 39 72.818 87.862 19.129 1.00 22.81 N ATOM 412 HD22 ASN A 39 73.094 88.603 18.454 1.00 0.00 H ATOM 413 HD21 ASN A 39 73.087 87.944 20.130 1.00 0.00 H ATOM 414 H ASN A 39 71.379 85.676 14.625 1.00 0.00 H ATOM 415 N CYS A 40 72.601 83.541 17.706 1.00 9.07 N ATOM 416 CA CYS A 40 72.160 82.202 18.080 1.00 7.62 C ATOM 417 C CYS A 40 70.815 82.188 18.809 1.00 6.99 C ATOM 418 O CYS A 40 70.173 81.146 18.900 1.00 8.01 O ATOM 419 CB CYS A 40 73.216 81.525 18.956 1.00 6.80 C ATOM 420 SG CYS A 40 74.735 81.057 18.100 1.00 6.56 S ATOM 421 H CYS A 40 73.492 83.913 18.092 1.00 0.00 H ATOM 422 N GLU A 41 70.379 83.331 19.330 1.00 7.44 N ATOM 423 CA GLU A 41 69.130 83.358 20.085 1.00 8.82 C ATOM 424 C GLU A 41 67.901 83.390 19.175 1.00 9.55 C ATOM 425 O GLU A 41 66.796 83.066 19.614 1.00 9.37 O ATOM 426 CB GLU A 41 69.115 84.550 21.040 1.00 12.45 C ATOM 427 CG GLU A 41 70.014 84.359 22.262 1.00 17.48 C ATOM 428 CD GLU A 41 69.275 83.755 23.452 1.00 38.05 C ATOM 429 OE1 GLU A 41 69.146 82.511 23.522 1.00 23.67 O ATOM 430 OE2 GLU A 41 68.826 84.530 24.325 1.00 34.78 O ATOM 431 H GLU A 41 70.927 84.205 19.200 1.00 0.00 H ATOM 432 N VAL A 42 68.088 83.754 17.910 1.00 7.13 N ATOM 433 CA VAL A 42 66.964 83.822 16.978 1.00 6.56 C ATOM 434 C VAL A 42 66.468 82.404 16.674 1.00 7.14 C ATOM 435 O VAL A 42 67.256 81.545 16.277 1.00 6.28 O ATOM 436 CB VAL A 42 67.353 84.539 15.673 1.00 4.05 C ATOM 437 CG1 VAL A 42 66.181 84.573 14.694 1.00 7.14 C ATOM 438 CG2 VAL A 42 67.831 85.949 15.969 1.00 8.99 C ATOM 439 H VAL A 42 69.045 83.993 17.580 1.00 0.00 H ATOM 440 N PRO A 43 65.160 82.143 16.868 1.00 6.34 N ATOM 441 CA PRO A 43 64.651 80.789 16.620 1.00 5.83 C ATOM 442 C PRO A 43 64.924 80.274 15.212 1.00 7.35 C ATOM 443 O PRO A 43 65.030 81.053 14.261 1.00 5.84 O ATOM 444 CB PRO A 43 63.142 80.937 16.852 1.00 8.84 C ATOM 445 CG PRO A 43 63.044 82.041 17.842 1.00 8.54 C ATOM 446 CD PRO A 43 64.125 83.011 17.458 1.00 7.91 C ATOM 447 N GLU A 44 65.035 78.955 15.099 1.00 7.14 N ATOM 448 CA GLU A 44 65.192 78.282 13.819 1.00 6.45 C ATOM 449 C GLU A 44 63.920 78.442 12.993 1.00 7.22 C ATOM 450 O GLU A 44 62.813 78.233 13.505 1.00 8.90 O ATOM 451 CB GLU A 44 65.510 76.799 14.046 1.00 8.28 C ATOM 452 CG GLU A 44 65.754 75.998 12.786 1.00 9.74 C ATOM 453 CD GLU A 44 66.188 74.562 13.067 1.00 11.53 C ATOM 454 OE1 GLU A 44 67.189 74.351 13.788 1.00 8.31 O ATOM 455 OE2 GLU A 44 65.525 73.634 12.557 1.00 18.86 O ATOM 456 H GLU A 44 65.008 78.378 15.964 1.00 0.00 H ATOM 457 N GLU A 45 64.077 78.830 11.729 1.00 6.48 N ATOM 458 CA GLU A 45 62.955 78.910 10.806 1.00 6.71 C ATOM 459 C GLU A 45 62.361 77.532 10.571 1.00 8.77 C ATOM 460 O GLU A 45 63.091 76.540 10.532 1.00 8.87 O ATOM 461 CB GLU A 45 63.384 79.484 9.465 1.00 7.33 C ATOM 462 CG GLU A 45 63.776 80.926 9.476 1.00 10.40 C ATOM 463 CD GLU A 45 63.887 81.456 8.069 1.00 12.53 C ATOM 464 OE1 GLU A 45 64.957 81.285 7.455 1.00 9.14 O ATOM 465 OE2 GLU A 45 62.887 82.013 7.563 1.00 14.93 O ATOM 466 H GLU A 45 65.028 79.083 11.392 1.00 0.00 H ATOM 467 N PRO A 46 61.038 77.465 10.384 1.00 8.85 N ATOM 468 CA PRO A 46 60.430 76.167 10.093 1.00 10.26 C ATOM 469 C PRO A 46 60.680 75.693 8.669 1.00 14.36 C ATOM 470 O PRO A 46 61.020 76.479 7.781 1.00 12.05 O ATOM 471 CB PRO A 46 58.938 76.423 10.317 1.00 11.81 C ATOM 472 CG PRO A 46 58.762 77.870 10.029 1.00 13.92 C ATOM 473 CD PRO A 46 60.031 78.536 10.494 1.00 12.29 C ATOM 474 N GLU A 47 60.506 74.393 8.470 1.00 14.49 N ATOM 475 CA GLU A 47 60.477 73.817 7.141 1.00 18.39 C ATOM 476 C GLU A 47 59.134 74.099 6.485 1.00 18.11 C ATOM 477 O GLU A 47 58.152 74.412 7.163 1.00 18.22 O ATOM 478 CB GLU A 47 60.710 72.313 7.201 1.00 19.76 C ATOM 479 CG GLU A 47 62.040 71.918 7.792 1.00 16.88 C ATOM 480 CD GLU A 47 62.182 70.422 7.872 1.00 24.11 C ATOM 481 OE1 GLU A 47 62.106 69.778 6.807 1.00 22.54 O ATOM 482 OE2 GLU A 47 62.341 69.894 8.994 1.00 27.14 O ATOM 483 H GLU A 47 60.387 73.768 9.293 1.00 0.00 H ATOM 484 N ASP A 48 59.096 73.977 5.165 1.00 19.89 N ATOM 485 CA ASP A 48 57.856 74.142 4.420 1.00 22.10 C ATOM 486 C ASP A 48 56.886 72.990 4.684 1.00 23.39 C ATOM 487 O ASP A 48 57.273 71.931 5.187 1.00 18.59 O ATOM 488 CB ASP A 48 58.149 74.247 2.925 1.00 22.04 C ATOM 489 CG ASP A 48 58.829 75.552 2.552 1.00 22.89 C ATOM 490 OD1 ASP A 48 58.992 76.421 3.436 1.00 22.81 O ATOM 491 OD2 ASP A 48 59.182 75.716 1.366 1.00 25.04 O ATOM 492 H ASP A 48 59.973 73.758 4.650 1.00 0.00 H TER 493 ASP A 48 HETATM 494 ZN ZN A 1 73.940 79.684 16.440 1.00 5.56 ZN HETATM 495 O HOH 2 65.896 72.344 -8.966 1.00 28.39 O HETATM 496 O HOH 3 70.963 75.349 -2.688 1.00 39.70 O HETATM 497 O HOH 4 81.257 81.080 2.280 1.00 34.91 O HETATM 498 O HOH 5 80.821 74.704 -7.242 1.00 29.84 O HETATM 499 O HOH 6 82.530 85.375 6.537 1.00 30.01 O HETATM 500 O HOH 7 83.882 79.775 10.913 1.00 26.40 O HETATM 501 O HOH 8 69.632 75.460 -4.052 1.00 28.86 O HETATM 502 O HOH 9 65.374 87.273 5.549 1.00 28.24 O HETATM 503 O HOH 10 65.640 88.171 13.750 1.00 12.56 O HETATM 504 O HOH 11 64.808 77.168 -9.130 1.00 15.85 O HETATM 505 O HOH 12 85.742 77.540 15.120 1.00 22.55 O HETATM 506 O HOH 13 60.374 81.347 8.052 1.00 23.01 O HETATM 507 O HOH 14 63.652 73.843 10.687 1.00 16.79 O HETATM 508 O HOH 15 60.543 78.781 6.546 1.00 27.18 O HETATM 509 O HOH 16 65.398 83.055 5.515 1.00 11.65 O HETATM 510 O HOH 17 77.224 70.855 14.132 1.00 11.96 O HETATM 511 O HOH 18 78.525 88.748 13.117 1.00 9.18 O HETATM 512 O HOH 19 67.313 80.649 8.534 1.00 6.68 O HETATM 513 O HOH 20 62.393 81.867 4.941 1.00 18.44 O HETATM 514 O HOH 21 71.575 83.279 4.813 1.00 9.85 O HETATM 515 O HOH 22 69.959 76.346 20.108 1.00 13.92 O HETATM 516 O HOH 23 69.892 77.583 -0.710 1.00 7.89 O HETATM 517 O HOH 24 66.851 79.389 10.941 1.00 5.23 O HETATM 518 O HOH 25 61.009 69.937 4.348 1.00 22.44 O HETATM 519 O HOH 26 68.017 83.904 5.702 1.00 8.41 O HETATM 520 O HOH 27 65.546 70.973 13.042 1.00 26.08 O HETATM 521 O HOH 28 60.435 79.437 13.971 1.00 14.82 O HETATM 522 O HOH 29 67.472 66.998 -2.068 1.00 35.61 O HETATM 523 O HOH 30 73.752 77.358 -0.824 1.00 17.13 O HETATM 524 O HOH 31 74.070 67.780 13.964 1.00 16.27 O HETATM 525 O HOH 32 69.349 82.225 7.486 1.00 5.85 O HETATM 526 O HOH 33 56.421 76.489 7.579 1.00 15.56 O HETATM 527 O HOH 34 61.328 88.526 10.034 1.00 9.99 O HETATM 528 O HOH 35 63.016 77.795 1.892 1.00 14.58 O HETATM 529 O HOH 36 78.357 73.590 10.383 1.00 7.21 O HETATM 530 O HOH 37 66.489 81.447 21.817 1.00 25.88 O HETATM 531 O HOH 38 61.295 72.712 4.082 1.00 23.46 O HETATM 532 O HOH 39 69.310 69.356 -4.006 1.00 30.00 O HETATM 533 O HOH 40 87.943 70.476 7.582 1.00 16.17 O HETATM 534 O HOH 41 82.651 70.237 7.240 1.00 10.07 O HETATM 535 O HOH 42 72.280 91.101 13.079 1.00 23.10 O HETATM 536 O HOH 43 62.506 71.940 -4.052 1.00 25.73 O HETATM 537 O HOH 44 73.805 89.998 17.632 1.00 28.15 O HETATM 538 O HOH 45 62.293 77.085 16.024 1.00 19.49 O HETATM 539 O HOH 46 67.461 90.380 5.590 1.00 28.57 O HETATM 540 O HOH 47 75.418 94.143 9.662 1.00 33.80 O HETATM 541 O HOH 48 70.473 88.385 14.263 1.00 17.82 O HETATM 542 O HOH 49 61.779 89.908 6.576 1.00 13.67 O HETATM 543 O HOH 50 69.342 73.802 18.261 1.00 19.37 O HETATM 544 O HOH 51 68.219 72.407 15.695 1.00 20.49 O HETATM 545 O HOH 52 78.519 86.563 5.813 1.00 21.75 O HETATM 546 O HOH 53 59.905 79.101 2.930 1.00 36.59 O HETATM 547 O HOH 54 84.580 70.539 12.908 1.00 18.86 O HETATM 548 O HOH 55 69.632 68.444 13.550 1.00 20.75 O HETATM 549 O HOH 56 82.500 74.970 17.759 1.00 33.46 O HETATM 550 O HOH 57 60.104 69.380 10.807 1.00 41.61 O HETATM 551 O HOH 58 74.853 88.934 16.022 1.00 25.24 O HETATM 552 O HOH 59 86.508 76.785 10.216 1.00 14.86 O HETATM 553 O HOH 60 78.221 82.377 5.639 1.00 15.60 O HETATM 554 O HOH 61 75.251 84.780 18.276 1.00 18.62 O HETATM 555 O HOH 62 77.524 73.043 20.916 1.00 37.65 O HETATM 556 O HOH 63 80.606 81.674 4.928 1.00 33.70 O HETATM 557 O HOH 64 80.117 80.147 -1.859 1.00 27.44 O HETATM 558 O HOH 65 72.557 75.948 -3.692 1.00 30.14 O HETATM 559 O HOH 66 59.201 72.887 10.781 1.00 24.93 O HETATM 560 O HOH 67 58.222 77.498 -0.919 1.00 35.55 O HETATM 561 O HOH 68 65.305 85.235 21.169 1.00 24.25 O HETATM 562 O HOH 69 81.324 81.070 11.043 1.00 15.10 O HETATM 563 O HOH 70 69.007 72.589 -5.972 1.00 29.83 O HETATM 564 O HOH 71 82.002 79.004 -6.628 1.00 28.44 O HETATM 565 O HOH 72 82.141 73.732 1.918 1.00 21.29 O HETATM 566 O HOH 73 55.682 71.818 2.215 1.00 22.81 O HETATM 567 O HOH 74 71.722 90.798 17.800 1.00 32.02 O HETATM 568 O HOH 75 84.436 82.842 7.553 1.00 37.83 O HETATM 569 O HOH 76 64.116 72.148 15.520 1.00 34.77 O HETATM 570 O HOH 77 88.148 74.322 11.964 1.00 24.53 O HETATM 571 O HOH 78 63.643 85.244 5.900 1.00 24.81 O HETATM 572 O HOH 79 87.449 76.319 16.922 1.00 36.26 O HETATM 573 O HOH 80 60.932 81.407 12.197 1.00 16.79 O HETATM 574 O HOH 81 69.625 84.106 3.496 1.00 19.87 O HETATM 575 O HOH 82 73.844 93.660 12.492 1.00 28.70 O HETATM 576 O HOH 83 72.746 90.042 15.288 1.00 22.87 O HETATM 577 O HOH 84 67.759 67.151 12.468 1.00 36.55 O HETATM 578 O HOH 85 78.239 69.973 16.562 1.00 31.28 O HETATM 579 O HOH 86 58.175 70.699 9.841 1.00 21.49 O HETATM 580 O HOH 87 84.808 81.784 9.731 1.00 28.29 O HETATM 581 O HOH 88 65.270 82.452 2.847 1.00 23.68 O HETATM 582 O HOH 89 72.542 92.267 19.815 1.00 27.45 O HETATM 583 O HOH 90 73.184 87.014 0.573 1.00 33.54 O HETATM 584 O HOH 91 75.309 85.889 0.200 1.00 30.73 O HETATM 585 O HOH 92 55.010 75.761 3.438 1.00 20.42 O HETATM 586 O HOH 93 79.265 68.848 5.241 1.00 15.96 O HETATM 587 O HOH 94 62.710 74.694 2.453 1.00 20.95 O HETATM 588 O HOH 95 66.611 67.730 4.656 1.00 20.57 O HETATM 589 O HOH 96 78.462 71.024 2.838 1.00 26.23 O HETATM 590 O HOH 97 73.894 69.852 1.540 1.00 23.39 O HETATM 591 O HOH 98 67.332 66.524 0.683 1.00 25.43 O HETATM 592 O HOH 99 78.125 68.550 12.908 1.00 9.63 O HETATM 593 O HOH 100 62.500 68.550 2.587 1.00 13.29 O HETATM 594 O HOH 101 70.299 66.909 2.939 1.00 15.90 O HETATM 595 O HOH 102 81.271 72.753 3.796 1.00 22.48 O HETATM 596 O HOH 103 75.255 67.327 3.248 1.00 29.45 O HETATM 597 O HOH 104 73.001 67.503 1.687 1.00 24.90 O HETATM 598 N ALA A 105 81.502 72.794 6.794 1.00 0.24 N HETATM 599 CA ALA A 105 80.297 73.017 7.586 1.00 0.06 C HETATM 600 C ALA A 105 79.294 71.908 7.325 1.00 0.23 C HETATM 601 O ALA A 105 79.344 71.257 6.282 1.00 -0.39 O HETATM 602 N ALA A 105 78.384 71.707 8.273 1.00 -0.26 N HETATM 603 CA ALA A 105 77.314 70.730 8.121 1.00 0.13 C HETATM 604 C ALA A 105 76.138 71.351 7.384 1.00 0.20 C HETATM 605 O ALA A 105 75.565 72.335 7.851 1.00 -0.39 O HETATM 606 N ALA A 105 75.773 70.775 6.243 1.00 -0.26 N HETATM 607 CA ALA A 105 74.656 71.289 5.463 1.00 0.16 C HETATM 608 C ALA A 105 73.611 70.219 5.187 1.00 0.21 C HETATM 609 O ALA A 105 73.862 69.023 5.324 1.00 -0.39 O HETATM 610 N ALA A 105 72.424 70.679 4.814 1.00 -0.26 N HETATM 611 CA ALA A 105 71.370 69.819 4.338 1.00 0.13 C HETATM 612 CB ALA A 105 70.397 69.334 5.427 1.00 -0.01 C HETATM 613 CG ALA A 105 69.534 70.461 5.951 1.00 -0.04 C HETATM 614 CD ALA A 105 68.710 69.974 7.131 1.00 -0.01 C HETATM 615 CE ALA A 105 67.761 71.088 7.561 1.00 -0.03 C HETATM 616 NZ ALA A 105 66.621 70.707 8.482 1.00 0.24 N HETATM 617 CM1 ALA A 105 67.126 69.992 9.686 1.00 -0.04 C HETATM 618 H38 ALA A 105 66.280 69.727 10.337 1.00 0.08 H HETATM 619 H39 ALA A 105 67.821 70.644 10.235 1.00 0.08 H HETATM 620 H40 ALA A 105 67.650 69.076 9.376 1.00 0.08 H HETATM 621 CM2 ALA A 105 65.625 69.823 7.805 1.00 -0.04 C HETATM 622 H41 ALA A 105 65.235 70.329 6.909 1.00 0.08 H HETATM 623 H42 ALA A 105 64.796 69.609 8.495 1.00 0.08 H HETATM 624 H43 ALA A 105 66.111 68.881 7.512 1.00 0.08 H HETATM 625 CM3 ALA A 105 65.945 71.975 8.896 1.00 -0.04 C HETATM 626 H44 ALA A 105 66.672 72.632 9.396 1.00 0.08 H HETATM 627 H45 ALA A 105 65.123 71.743 9.590 1.00 0.08 H HETATM 628 H46 ALA A 105 65.542 72.483 8.007 1.00 0.08 H HETATM 629 H36 ALA A 105 67.321 71.518 6.649 1.00 0.08 H HETATM 630 H37 ALA A 105 68.360 71.854 8.075 1.00 0.08 H HETATM 631 H34 ALA A 105 69.377 69.714 7.966 1.00 0.03 H HETATM 632 H35 ALA A 105 68.130 69.087 6.836 1.00 0.03 H HETATM 633 H32 ALA A 105 68.860 70.806 5.153 1.00 0.03 H HETATM 634 H33 ALA A 105 70.177 71.293 6.274 1.00 0.03 H HETATM 635 H30 ALA A 105 70.977 68.912 6.261 1.00 0.03 H HETATM 636 H31 ALA A 105 69.746 68.555 5.002 1.00 0.03 H HETATM 637 C ALA A 105 70.565 70.562 3.291 1.00 0.20 C HETATM 638 O ALA A 105 70.636 71.786 3.149 1.00 -0.39 O HETATM 639 N ALA A 105 69.771 69.796 2.546 1.00 -0.26 N HETATM 640 CA ALA A 105 68.883 70.344 1.528 1.00 0.13 C HETATM 641 C ALA A 105 67.440 69.959 1.838 1.00 0.20 C HETATM 642 O ALA A 105 67.172 68.824 2.225 1.00 -0.39 O HETATM 643 N ALA A 105 66.518 70.903 1.664 1.00 -0.26 N HETATM 644 CA ALA A 105 65.089 70.636 1.834 1.00 0.16 C HETATM 645 C ALA A 105 64.283 71.069 0.614 1.00 0.21 C HETATM 646 O ALA A 105 64.717 71.914 -0.171 1.00 -0.39 O HETATM 647 N ALA A 105 63.093 70.498 0.482 1.00 -0.26 N HETATM 648 CA ALA A 105 62.169 70.879 -0.576 1.00 0.13 C HETATM 649 C ALA A 105 61.719 72.327 -0.415 1.00 0.20 C HETATM 650 O ALA A 105 61.469 72.792 0.697 1.00 -0.39 O HETATM 651 N ALA A 105 61.628 73.030 -1.539 1.00 -0.26 N HETATM 652 CA ALA A 105 61.153 74.409 -1.575 1.00 0.13 C HETATM 653 C ALA A 105 60.149 74.522 -2.723 1.00 0.20 C HETATM 654 O ALA A 105 60.533 74.607 -3.891 1.00 -0.39 O HETATM 655 N ALA A 105 58.863 74.500 -2.383 1.00 -0.26 N HETATM 656 CA ALA A 105 57.799 74.425 -3.386 1.00 0.13 C HETATM 657 C ALA A 105 57.847 75.582 -4.381 1.00 0.20 C HETATM 658 O ALA A 105 57.541 75.409 -5.562 1.00 -0.39 O HETATM 659 N ALA A 105 58.231 76.761 -3.900 1.00 -0.26 N HETATM 660 CA ALA A 105 58.228 77.964 -4.728 1.00 0.15 C HETATM 661 C ALA A 105 59.208 77.861 -5.899 1.00 0.21 C HETATM 662 O ALA A 105 59.112 78.626 -6.860 1.00 -0.39 O HETATM 663 N ALA A 105 60.142 76.916 -5.815 1.00 -0.27 N HETATM 664 CA ALA A 105 61.118 76.698 -6.877 1.00 0.12 C HETATM 665 C ALA A 105 61.250 75.216 -7.211 1.00 0.06 C HETATM 666 O ALA A 105 62.172 74.814 -7.922 1.00 -0.57 O HETATM 667 OXT ALA A 105 60.436 74.401 -6.774 1.00 -0.57 O HETATM 668 CB ALA A 105 62.506 77.244 -6.489 1.00 0.09 C HETATM 669 OG1 ALA A 105 62.978 76.559 -5.317 1.00 -0.39 O HETATM 670 H101 ALA A 105 63.042 75.629 -5.500 1.00 0.21 H HETATM 671 CG2 ALA A 105 62.431 78.738 -6.217 1.00 -0.04 C HETATM 672 H102 ALA A 105 63.428 79.111 -5.942 1.00 0.03 H HETATM 673 H103 ALA A 105 61.729 78.926 -5.391 1.00 0.03 H HETATM 674 H104 ALA A 105 62.081 79.258 -7.121 1.00 0.03 H HETATM 675 H100 ALA A 105 63.206 77.066 -7.318 1.00 0.06 H HETATM 676 H99 ALA A 105 60.770 77.231 -7.774 1.00 0.08 H HETATM 677 H98 ALA A 105 60.175 76.338 -4.999 1.00 0.19 H HETATM 678 CB ALA A 105 58.557 79.193 -3.877 1.00 0.08 C HETATM 679 OG ALA A 105 59.919 79.203 -3.489 1.00 -0.39 O HETATM 680 H97 ALA A 105 60.092 79.975 -2.964 1.00 0.21 H HETATM 681 H95 ALA A 105 57.928 79.183 -2.975 1.00 0.06 H HETATM 682 H96 ALA A 105 58.345 80.100 -4.462 1.00 0.06 H HETATM 683 H94 ALA A 105 57.216 78.089 -5.141 1.00 0.08 H HETATM 684 H93 ALA A 105 58.529 76.825 -2.948 1.00 0.19 H HETATM 685 CB ALA A 105 56.425 74.404 -2.711 1.00 -0.01 C HETATM 686 CG ALA A 105 56.294 73.411 -1.568 1.00 -0.04 C HETATM 687 CD ALA A 105 56.139 74.125 -0.235 1.00 -0.01 C HETATM 688 CE ALA A 105 54.766 74.769 -0.099 1.00 -0.04 C HETATM 689 NZ ALA A 105 54.610 75.477 1.201 1.00 0.22 N HETATM 690 H90 ALA A 105 53.691 75.888 1.252 1.00 0.20 H HETATM 691 H91 ALA A 105 55.307 76.202 1.275 1.00 0.20 H HETATM 692 H92 ALA A 105 54.727 74.821 1.957 1.00 0.20 H HETATM 693 H88 ALA A 105 53.997 73.986 -0.172 1.00 0.08 H HETATM 694 H89 ALA A 105 54.630 75.493 -0.916 1.00 0.08 H HETATM 695 H86 ALA A 105 56.909 74.907 -0.157 1.00 0.03 H HETATM 696 H87 ALA A 105 56.273 73.396 0.578 1.00 0.03 H HETATM 697 H84 ALA A 105 57.195 72.781 -1.535 1.00 0.03 H HETATM 698 H85 ALA A 105 55.411 72.779 -1.741 1.00 0.03 H HETATM 699 H82 ALA A 105 55.673 74.151 -3.473 1.00 0.03 H HETATM 700 H83 ALA A 105 56.222 75.410 -2.316 1.00 0.03 H HETATM 701 H81 ALA A 105 57.929 73.487 -3.945 1.00 0.08 H HETATM 702 H80 ALA A 105 58.616 74.536 -1.415 1.00 0.19 H HETATM 703 CB ALA A 105 62.328 75.381 -1.752 1.00 -0.01 C HETATM 704 CG ALA A 105 61.968 76.859 -1.663 1.00 -0.02 C HETATM 705 CD ALA A 105 63.222 77.728 -1.697 1.00 0.06 C HETATM 706 NE ALA A 105 63.984 77.534 -2.928 1.00 -0.27 N HETATM 707 CZ ALA A 105 65.266 77.855 -3.094 1.00 0.29 C HETATM 708 NH1 ALA A 105 65.971 78.388 -2.106 1.00 -0.28 N HETATM 709 H76 ALA A 105 66.961 78.630 -2.252 1.00 0.26 H HETATM 710 H77 ALA A 105 65.528 78.560 -1.192 1.00 0.26 H HETATM 711 NH2 ALA A 105 65.853 77.628 -4.260 1.00 -0.28 N HETATM 712 H78 ALA A 105 65.316 77.214 -5.035 1.00 0.26 H HETATM 713 H79 ALA A 105 66.847 77.865 -4.391 1.00 0.26 H HETATM 714 H75 ALA A 105 63.491 77.116 -3.730 1.00 0.26 H HETATM 715 H73 ALA A 105 63.859 77.467 -0.839 1.00 0.07 H HETATM 716 H74 ALA A 105 62.925 78.785 -1.625 1.00 0.07 H HETATM 717 H71 ALA A 105 61.428 77.042 -0.722 1.00 0.03 H HETATM 718 H72 ALA A 105 61.323 77.124 -2.514 1.00 0.03 H HETATM 719 H69 ALA A 105 62.774 75.199 -2.741 1.00 0.03 H HETATM 720 H70 ALA A 105 63.070 75.164 -0.969 1.00 0.03 H HETATM 721 H68 ALA A 105 60.645 74.644 -0.628 1.00 0.08 H HETATM 722 H67 ALA A 105 61.897 72.595 -2.398 1.00 0.19 H HETATM 723 CB ALA A 105 60.964 69.950 -0.579 1.00 -0.02 C HETATM 724 H64 ALA A 105 60.274 70.248 -1.382 1.00 0.03 H HETATM 725 H65 ALA A 105 60.449 70.015 0.391 1.00 0.03 H HETATM 726 H66 ALA A 105 61.299 68.916 -0.748 1.00 0.03 H HETATM 727 H63 ALA A 105 62.688 70.782 -1.541 1.00 0.08 H HETATM 728 H62 ALA A 105 62.823 69.785 1.129 1.00 0.19 H HETATM 729 CB ALA A 105 64.506 71.366 3.053 1.00 0.09 C HETATM 730 OG1 ALA A 105 64.583 72.782 2.844 1.00 -0.39 O HETATM 731 H58 ALA A 105 64.086 73.014 2.068 1.00 0.21 H HETATM 732 CG2 ALA A 105 65.251 70.994 4.317 1.00 -0.03 C HETATM 733 H59 ALA A 105 64.813 71.530 5.172 1.00 0.03 H HETATM 734 H60 ALA A 105 66.310 71.272 4.213 1.00 0.03 H HETATM 735 H61 ALA A 105 65.171 69.910 4.484 1.00 0.03 H HETATM 736 H57 ALA A 105 63.451 71.077 3.167 1.00 0.06 H HETATM 737 H56 ALA A 105 64.962 69.553 1.977 1.00 0.08 H HETATM 738 H55 ALA A 105 66.811 71.824 1.409 1.00 0.19 H HETATM 739 CB ALA A 105 69.262 69.837 0.133 1.00 0.00 C HETATM 740 CG ALA A 105 70.760 69.849 -0.172 1.00 0.04 C HETATM 741 CD ALA A 105 71.248 71.189 -0.673 1.00 0.17 C HETATM 742 OE1 ALA A 105 72.045 71.860 -0.013 1.00 -0.40 O HETATM 743 NE2 ALA A 105 70.789 71.580 -1.859 1.00 -0.30 N HETATM 744 H53 ALA A 105 71.077 72.458 -2.242 1.00 0.18 H HETATM 745 H54 ALA A 105 70.156 70.996 -2.367 1.00 0.18 H HETATM 746 H51 ALA A 105 70.968 69.090 -0.941 1.00 0.05 H HETATM 747 H52 ALA A 105 71.308 69.598 0.748 1.00 0.05 H HETATM 748 H49 ALA A 105 68.757 70.472 -0.610 1.00 0.03 H HETATM 749 H50 ALA A 105 68.902 68.802 0.036 1.00 0.03 H HETATM 750 H48 ALA A 105 68.970 71.441 1.540 1.00 0.08 H HETATM 751 H47 ALA A 105 69.784 68.806 2.690 1.00 0.19 H HETATM 752 H29 ALA A 105 71.836 68.935 3.878 1.00 0.08 H HETATM 753 H28 ALA A 105 72.254 71.663 4.865 1.00 0.19 H HETATM 754 CB ALA A 105 75.121 71.872 4.117 1.00 0.09 C HETATM 755 OG1 ALA A 105 75.750 70.848 3.340 1.00 -0.39 O HETATM 756 H24 ALA A 105 75.130 70.146 3.183 1.00 0.21 H HETATM 757 CG2 ALA A 105 76.097 73.021 4.335 1.00 -0.03 C HETATM 758 H25 ALA A 105 76.415 73.421 3.361 1.00 0.03 H HETATM 759 H26 ALA A 105 76.976 72.656 4.886 1.00 0.03 H HETATM 760 H27 ALA A 105 75.605 73.816 4.915 1.00 0.03 H HETATM 761 H23 ALA A 105 74.244 72.249 3.571 1.00 0.06 H HETATM 762 H22 ALA A 105 74.183 72.093 6.046 1.00 0.08 H HETATM 763 H21 ALA A 105 76.274 69.975 5.915 1.00 0.19 H HETATM 764 CB ALA A 105 76.851 70.218 9.481 1.00 -0.01 C HETATM 765 CG ALA A 105 75.903 69.035 9.398 1.00 -0.02 C HETATM 766 CD ALA A 105 75.205 68.768 10.725 1.00 0.06 C HETATM 767 NE ALA A 105 74.642 67.421 10.755 1.00 -0.27 N HETATM 768 CZ ALA A 105 75.254 66.361 11.276 1.00 0.29 C HETATM 769 NH1 ALA A 105 76.448 66.477 11.842 1.00 -0.28 N HETATM 770 H17 ALA A 105 76.911 65.648 12.242 1.00 0.26 H HETATM 771 H18 ALA A 105 76.912 67.396 11.882 1.00 0.26 H HETATM 772 NH2 ALA A 105 74.662 65.178 11.243 1.00 -0.28 N HETATM 773 H19 ALA A 105 73.735 65.078 10.806 1.00 0.26 H HETATM 774 H20 ALA A 105 75.128 64.357 11.655 1.00 0.26 H HETATM 775 H16 ALA A 105 73.707 67.282 10.345 1.00 0.26 H HETATM 776 H14 ALA A 105 74.395 69.500 10.860 1.00 0.07 H HETATM 777 H15 ALA A 105 75.933 68.872 11.543 1.00 0.07 H HETATM 778 H12 ALA A 105 76.476 68.141 9.112 1.00 0.03 H HETATM 779 H13 ALA A 105 75.141 69.243 8.632 1.00 0.03 H HETATM 780 H10 ALA A 105 76.338 71.038 10.004 1.00 0.03 H HETATM 781 H11 ALA A 105 77.737 69.913 10.057 1.00 0.03 H HETATM 782 H9 ALA A 105 77.694 69.881 7.534 1.00 0.08 H HETATM 783 H8 ALA A 105 78.436 72.243 9.116 1.00 0.19 H HETATM 784 CB ALA A 105 79.690 74.365 7.257 1.00 -0.00 C HETATM 785 H5 ALA A 105 78.784 74.517 7.862 1.00 0.03 H HETATM 786 H6 ALA A 105 79.428 74.398 6.189 1.00 0.03 H HETATM 787 H7 ALA A 105 80.417 75.159 7.481 1.00 0.03 H HETATM 788 H4 ALA A 105 80.568 73.004 8.652 1.00 0.11 H HETATM 789 H1 ALA A 105 82.163 73.534 6.972 1.00 0.20 H HETATM 790 H2 ALA A 105 81.264 72.785 5.815 1.00 0.20 H HETATM 791 H3 ALA A 105 81.912 71.909 7.048 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 82 81 494 CONECT 104 103 494 CONECT 308 307 494 CONECT 420 419 494 CONECT 494 82 104 308 420 CONECT 598 599 789 790 791 CONECT 599 598 600 784 788 CONECT 600 599 601 602 CONECT 601 600 CONECT 602 600 603 783 CONECT 603 602 604 764 782 CONECT 604 603 605 606 CONECT 605 604 CONECT 606 604 607 763 CONECT 607 606 608 754 762 CONECT 608 607 609 610 CONECT 609 608 CONECT 610 608 611 753 CONECT 611 610 612 637 752 CONECT 612 611 613 635 636 CONECT 613 612 614 633 634 CONECT 614 613 615 631 632 CONECT 615 614 616 629 630 CONECT 616 615 617 621 625 CONECT 617 616 618 619 620 CONECT 618 617 CONECT 619 617 CONECT 620 617 CONECT 621 616 622 623 624 CONECT 622 621 CONECT 623 621 CONECT 624 621 CONECT 625 616 626 627 628 CONECT 626 625 CONECT 627 625 CONECT 628 625 CONECT 629 615 CONECT 630 615 CONECT 631 614 CONECT 632 614 CONECT 633 613 CONECT 634 613 CONECT 635 612 CONECT 636 612 CONECT 637 611 638 639 CONECT 638 637 CONECT 639 637 640 751 CONECT 640 639 641 739 750 CONECT 641 640 642 643 CONECT 642 641 CONECT 643 641 644 738 CONECT 644 643 645 729 737 CONECT 645 644 646 647 CONECT 646 645 CONECT 647 645 648 728 CONECT 648 647 649 723 727 CONECT 649 648 650 651 CONECT 650 649 CONECT 651 649 652 722 CONECT 652 651 653 703 721 CONECT 653 652 654 655 CONECT 654 653 CONECT 655 653 656 702 CONECT 656 655 657 685 701 CONECT 657 656 658 659 CONECT 658 657 CONECT 659 657 660 684 CONECT 660 659 661 678 683 CONECT 661 660 662 663 CONECT 662 661 CONECT 663 661 664 677 CONECT 664 663 665 668 676 CONECT 665 664 666 667 CONECT 666 665 CONECT 667 665 CONECT 668 664 669 671 675 CONECT 669 668 670 CONECT 670 669 CONECT 671 668 672 673 674 CONECT 672 671 CONECT 673 671 CONECT 674 671 CONECT 675 668 CONECT 676 664 CONECT 677 663 CONECT 678 660 679 681 682 CONECT 679 678 680 CONECT 680 679 CONECT 681 678 CONECT 682 678 CONECT 683 660 CONECT 684 659 CONECT 685 656 686 699 700 CONECT 686 685 687 697 698 CONECT 687 686 688 695 696 CONECT 688 687 689 693 694 CONECT 689 688 690 691 692 CONECT 690 689 CONECT 691 689 CONECT 692 689 CONECT 693 688 CONECT 694 688 CONECT 695 687 CONECT 696 687 CONECT 697 686 CONECT 698 686 CONECT 699 685 CONECT 700 685 CONECT 701 656 CONECT 702 655 CONECT 703 652 704 719 720 CONECT 704 703 705 717 718 CONECT 705 704 706 715 716 CONECT 706 705 707 714 CONECT 707 706 708 711 CONECT 708 707 709 710 CONECT 709 708 CONECT 710 708 CONECT 711 707 712 713 CONECT 712 711 CONECT 713 711 CONECT 714 706 CONECT 715 705 CONECT 716 705 CONECT 717 704 CONECT 718 704 CONECT 719 703 CONECT 720 703 CONECT 721 652 CONECT 722 651 CONECT 723 648 724 725 726 CONECT 724 723 CONECT 725 723 CONECT 726 723 CONECT 727 648 CONECT 728 647 CONECT 729 644 730 732 736 CONECT 730 729 731 CONECT 731 730 CONECT 732 729 733 734 735 CONECT 733 732 CONECT 734 732 CONECT 735 732 CONECT 736 729 CONECT 737 644 CONECT 738 643 CONECT 739 640 740 748 749 CONECT 740 739 741 746 747 CONECT 741 740 742 743 CONECT 742 741 CONECT 743 741 744 745 CONECT 744 743 CONECT 745 743 CONECT 746 740 CONECT 747 740 CONECT 748 739 CONECT 749 739 CONECT 750 640 CONECT 751 639 CONECT 752 611 CONECT 753 610 CONECT 754 607 755 757 761 CONECT 755 754 756 CONECT 756 755 CONECT 757 754 758 759 760 CONECT 758 757 CONECT 759 757 CONECT 760 757 CONECT 761 754 CONECT 762 607 CONECT 763 606 CONECT 764 603 765 780 781 CONECT 765 764 766 778 779 CONECT 766 765 767 776 777 CONECT 767 766 768 775 CONECT 768 767 769 772 CONECT 769 768 770 771 CONECT 770 769 CONECT 771 769 CONECT 772 768 773 774 CONECT 773 772 CONECT 774 772 CONECT 775 767 CONECT 776 766 CONECT 777 766 CONECT 778 765 CONECT 779 765 CONECT 780 764 CONECT 781 764 CONECT 782 603 CONECT 783 602 CONECT 784 599 785 786 787 CONECT 785 784 CONECT 786 784 CONECT 787 784 CONECT 788 599 CONECT 789 598 CONECT 790 598 CONECT 791 598 MASTER 0 0 0 0 0 0 0 0 790 1 203 4 END
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Related entries of code: 5svx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2b2v
RCSB PDB
PDBbind
16aa, >2B2V_3|Chain... at 93%
2b2w
RCSB PDB
PDBbind
20aa, >2B2W_3|Chain... at 95%
2co0
RCSB PDB
PDBbind
15aa, >2CO0_2|Chains... at 100%
2f6j
RCSB PDB
PDBbind
15aa, >2F6J_2|Chain... at 100%
2fsa
RCSB PDB
PDBbind
15aa, >2FSA_2|Chain... at 100%
2fuu
RCSB PDB
PDBbind
15aa, >2FUU_2|Chain... at 100%
2h2g
RCSB PDB
PDBbind
11aa, >2H2G_2|Chain... at 100%
2h9m
RCSB PDB
PDBbind
11aa, >2H9M_2|Chains... at 100%
2h9n
RCSB PDB
PDBbind
11aa, >2H9N_2|Chains... at 100%
2h9p
RCSB PDB
PDBbind
11aa, >2H9P_2|Chain... at 100%
2l3r
RCSB PDB
PDBbind
11aa, >2L3R_2|Chain... at 100%
2lbm
RCSB PDB
PDBbind
15aa, >2LBM_2|Chain... at 100%
2o9k
RCSB PDB
PDBbind
11aa, >2O9K_2|Chains... at 100%
2r0y
RCSB PDB
PDBbind
13aa, >2R0Y_2|Chain... at 100%
2rnw
RCSB PDB
PDBbind
15aa, >2RNW_2|Chain... at 100%
2rnx
RCSB PDB
PDBbind
13aa, >2RNX_2|Chain... at 92%
2uxn
RCSB PDB
PDBbind
21aa, >2UXN_3|Chain... at 95%
2v1d
RCSB PDB
PDBbind
21aa, >2V1D_3|Chain... at 95%
2ybp
RCSB PDB
PDBbind
12aa, >2YBP_2|Chains... at 91%
2ybs
RCSB PDB
PDBbind
12aa, >2YBS_2|Chains... at 91%
3ask
RCSB PDB
PDBbind
13aa, >3ASK_2|Chains... at 100%
3asl
RCSB PDB
PDBbind
11aa, >3ASL_2|Chain... at 100%
3b95
RCSB PDB
PDBbind
15aa, >3B95_2|Chain... at 100%
3ij0
RCSB PDB
PDBbind
11aa, >3IJ0_2|Chain... at 100%
3kv4
RCSB PDB
PDBbind
24aa, >3KV4_2|Chain... at 95%
3me9
RCSB PDB
PDBbind
11aa, >3ME9_2|Chains... at 100%
3mea
RCSB PDB
PDBbind
11aa, >3MEA_2|Chain... at 100%
3met
RCSB PDB
PDBbind
11aa, >3MET_2|Chains... at 100%
3meu
RCSB PDB
PDBbind
14aa, >3MEU_2|Chains... at 92%
3ql9
RCSB PDB
PDBbind
15aa, >3QL9_2|Chain... at 100%
3qlc
RCSB PDB
PDBbind
15aa, >3QLC_2|Chains... at 100%
3ued
RCSB PDB
PDBbind
12aa, >3UED_2|Chains... at 100%
3uef
RCSB PDB
PDBbind
12aa, >3UEF_2|Chains... at 100%
3uig
RCSB PDB
PDBbind
15aa, >3UIG_2|Chains... at 100%
4a7j
RCSB PDB
PDBbind
16aa, >4A7J_2|Chain... at 100%
4ft2
RCSB PDB
PDBbind
15aa, >4FT2_2|Chain... at 100%
4ft4
RCSB PDB
PDBbind
32aa, >4FT4_2|Chains... at 93%
4gy5
RCSB PDB
PDBbind
17aa, >4GY5_2|Chains... at 100%
4qq4
RCSB PDB
PDBbind
16aa, >4QQ4_2|Chains... at 93%
4tmp
RCSB PDB
PDBbind
11aa, >4TMP_2|Chains... at 100%
4u7t
RCSB PDB
PDBbind
12aa, >4U7T_3|Chains... at 100%
4w5a
RCSB PDB
PDBbind
15aa, >4W5A_2|Chains... at 100%
4yhp
RCSB PDB
PDBbind
16aa, >4YHP_1|Chains... at 100%
4yhz
RCSB PDB
PDBbind
12aa, >4YHZ_3|Chain... at 100%
5fb0
RCSB PDB
PDBbind
15aa, >5FB0_2|Chains... at 100%
5fb1
RCSB PDB
PDBbind
15aa, >5FB1_2|Chain... at 100%
5ix1
RCSB PDB
PDBbind
15aa, >5IX1_2|Chains... at 100%
5svy
RCSB PDB
PDBbind
11aa, >5SVY_2|Chain... at 100%
5x60
RCSB PDB
PDBbind
20aa, >5X60_3|Chain... at 90%
5znp
RCSB PDB
PDBbind
15aa, >5ZNP_2|Chains... at 100%
6bhi
RCSB PDB
PDBbind
16aa, >6BHI_2|Chain... at 100%
6mil
RCSB PDB
PDBbind
19aa, >6MIL_2|Chains... at 94%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1avp
RCSB PDB
PDBbind
11-mer
1bbz
RCSB PDB
PDBbind
11-mer
1c5f
RCSB PDB
PDBbind
11-mer
1cwb
RCSB PDB
PDBbind
11-mer
1cwc
RCSB PDB
PDBbind
11-mer
1cyn
RCSB PDB
PDBbind
11-mer
1d4t
RCSB PDB
PDBbind
11-mer
1d4w
RCSB PDB
PDBbind
11-mer
1d8e
RCSB PDB
PDBbind
11-mer
1ddm
RCSB PDB
PDBbind
11-mer
1ff1
RCSB PDB
PDBbind
11-mer
1h25
RCSB PDB
PDBbind
11-mer
1h26
RCSB PDB
PDBbind
11-mer
1h27
RCSB PDB
PDBbind
11-mer
1h28
RCSB PDB
PDBbind
11-mer
1h3h
RCSB PDB
PDBbind
11-mer
1h6e
RCSB PDB
PDBbind
11-mer
1iq1
RCSB PDB
PDBbind
11-mer
1irs
RCSB PDB
PDBbind
11-mer
1jm4
RCSB PDB
PDBbind
11-mer
1l2z
RCSB PDB
PDBbind
11-mer
1lcj
RCSB PDB
PDBbind
11-mer
1mik
RCSB PDB
PDBbind
11-mer
1om2
RCSB PDB
PDBbind
11-mer
1ox9
RCSB PDB
PDBbind
11-mer
1qng
RCSB PDB
PDBbind
11-mer
1qnh
RCSB PDB
PDBbind
11-mer
1s9v
RCSB PDB
PDBbind
11-mer
1sps
RCSB PDB
PDBbind
11-mer
1ths
RCSB PDB
PDBbind
11-mer
1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
5svx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
MORC family CW-type zinc finger protein 3, MORC3 CW domain
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.56(Å)
Affinity (Kd/Ki/IC50)
Kd=0.64uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Cell Rep Vol. 16: pp. 3195-3207
Ligand Properties
Formula
C
5
3
H
1
0
5
N
2
0
O
1
7
Molecular Weight
1294.520
Exact Mass
1293.800
No. of atoms
195
No. of bonds
194
Polar Surface Area
639.61
LOGP Value
-6.38 (
Computed with XLOGP3
)
-8.06 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 58
No. of Nitrogen and Oxygen Atoms: 37
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C)CCC(=O)N)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C53H100N20O17/c1-26(55)41(79)64-34(18-14-23-62-53(59)60)46(84)71-39(29(4)76)50(88)68-32(16-10-12-24-73(6,7)8)43(81)67-35(19-20-37(56)78)47(85)70-38(28(3)75)49(87)63-27(2)42(80)65-33(17-13-22-61-52(57)58)44(82)66-31(15-9-11-21-54)45(83)69-36(25-74)48(86)72-40(30(5)77)51(89)90/h26-36,38-40,74-77H,9-25,54-55H2,1-8H3,(H20-,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,78,79,80,81,82,83,84,85,86,87,88,89,90)/p+5/t26-,27-,28+,29+,30+,31-,32-,33-,34-,35-,36-,38-,39-,40-/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):
Q14149
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
23515
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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