Browse entries in the PDBbind-CN Database
HEADER 1UJ0_COMPLEX COMPND 1UJ0_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 58 MET ALA ARG ARG VAL ARG ALA LEU TYR ASP PHE GLU ALA SEQRES 2 A 58 VAL GLU ASP ASN GLU LEU THR PHE LYS HIS GLY GLU LEU SEQRES 3 A 58 ILE THR VAL LEU ASP ASP SER ASP ALA ASN TRP TRP GLN SEQRES 4 A 58 GLY GLU ASN HIS ARG GLY THR GLY LEU PHE PRO SER ASN SEQRES 5 A 58 PHE VAL THR THR ASP LEU HET THR A 123 154 ATOM 1 N MET A 203 -9.035 28.423 36.207 1.00 33.82 N ATOM 2 CA MET A 203 -9.357 28.283 34.754 1.00 34.18 C ATOM 3 C MET A 203 -8.145 27.789 33.971 1.00 32.91 C ATOM 4 O MET A 203 -7.001 28.101 34.303 1.00 31.98 O ATOM 5 CB MET A 203 -9.878 29.584 34.128 1.00 34.92 C ATOM 6 CG MET A 203 -11.236 30.017 34.660 1.00 37.60 C ATOM 7 SD MET A 203 -12.373 28.583 34.933 1.00 43.19 S ATOM 8 CE MET A 203 -13.235 28.526 33.377 1.00 37.60 C ATOM 9 HA MET A 203 -10.158 27.546 34.693 1.00 0.00 H ATOM 10 HB2 MET A 203 -9.159 30.377 34.333 1.00 0.00 H ATOM 11 HB3 MET A 203 -9.960 29.439 33.051 1.00 0.00 H ATOM 12 HG2 MET A 203 -11.694 30.696 33.941 1.00 0.00 H ATOM 13 HG3 MET A 203 -11.092 30.536 35.608 1.00 0.00 H ATOM 14 HE1 MET A 203 -13.757 29.470 33.217 1.00 0.00 H ATOM 15 HE2 MET A 203 -12.518 28.365 32.572 1.00 0.00 H ATOM 16 HE3 MET A 203 -13.956 27.709 33.392 1.00 0.00 H ATOM 17 HN3 MET A 203 -8.260 29.106 36.325 1.00 0.00 H ATOM 18 HN2 MET A 203 -8.745 27.499 36.587 1.00 0.00 H ATOM 19 HN1 MET A 203 -9.877 28.760 36.716 1.00 0.00 H ATOM 20 N ALA A 204 -8.386 27.033 32.919 1.00 31.11 N ATOM 21 CA ALA A 204 -7.252 26.637 32.077 1.00 29.72 C ATOM 22 C ALA A 204 -6.667 27.879 31.350 1.00 29.61 C ATOM 23 O ALA A 204 -7.381 28.673 30.736 1.00 30.58 O ATOM 24 CB ALA A 204 -7.649 25.561 31.142 1.00 29.64 C ATOM 25 HA ALA A 204 -6.459 26.229 32.704 1.00 0.00 H ATOM 26 HB1 ALA A 204 -7.988 24.695 31.710 1.00 0.00 H ATOM 27 HB2 ALA A 204 -8.457 25.917 30.503 1.00 0.00 H ATOM 28 HB3 ALA A 204 -6.794 25.282 30.527 1.00 0.00 H ATOM 29 H ALA A 204 -9.353 26.726 32.692 1.00 0.00 H ATOM 30 N ARG A 205 -5.349 28.047 31.464 1.00 27.72 N ATOM 31 CA ARG A 205 -4.638 29.196 30.914 1.00 24.16 C ATOM 32 C ARG A 205 -4.020 28.820 29.580 1.00 21.38 C ATOM 33 O ARG A 205 -3.853 27.653 29.307 1.00 22.53 O ATOM 34 CB ARG A 205 -3.516 29.573 31.869 1.00 25.66 C ATOM 35 CG ARG A 205 -2.674 28.422 32.371 1.00 25.63 C ATOM 36 CD ARG A 205 -2.084 28.741 33.814 1.00 28.60 C ATOM 37 NE ARG A 205 -1.054 27.775 34.205 1.00 23.08 N ATOM 38 CZ ARG A 205 0.121 27.729 33.616 1.00 20.67 C ATOM 39 NH1 ARG A 205 1.030 26.837 33.989 1.00 20.11 N ATOM 40 NH2 ARG A 205 0.389 28.605 32.650 1.00 24.50 N ATOM 41 HA ARG A 205 -5.331 30.026 30.781 1.00 0.00 H ATOM 42 HB2 ARG A 205 -2.857 30.272 31.354 1.00 0.00 H ATOM 43 HB3 ARG A 205 -3.962 30.065 32.733 1.00 0.00 H ATOM 44 HG2 ARG A 205 -3.291 27.525 32.427 1.00 0.00 H ATOM 45 HG3 ARG A 205 -1.850 28.252 31.677 1.00 0.00 H ATOM 46 HD2 ARG A 205 -2.894 28.708 34.542 1.00 0.00 H ATOM 47 HD3 ARG A 205 -1.647 29.739 33.804 1.00 0.00 H ATOM 48 HE ARG A 205 -1.259 27.104 34.973 1.00 0.00 H ATOM 49 HH12 ARG A 205 1.956 26.809 33.516 1.00 0.00 H ATOM 50 HH11 ARG A 205 0.816 26.166 34.754 1.00 0.00 H ATOM 51 HH22 ARG A 205 1.312 28.585 32.172 1.00 0.00 H ATOM 52 HH21 ARG A 205 -0.325 29.309 32.374 1.00 0.00 H ATOM 53 H ARG A 205 -4.801 27.323 31.970 1.00 0.00 H ATOM 54 N ARG A 206 -3.725 29.811 28.742 1.00 20.72 N ATOM 55 CA ARG A 206 -3.097 29.548 27.432 1.00 20.90 C ATOM 56 C ARG A 206 -1.618 29.912 27.482 1.00 20.13 C ATOM 57 O ARG A 206 -1.219 30.845 28.189 1.00 19.49 O ATOM 58 CB ARG A 206 -3.732 30.373 26.298 1.00 24.08 C ATOM 59 CG ARG A 206 -5.223 30.230 26.136 1.00 30.09 C ATOM 60 CD ARG A 206 -5.652 28.919 25.545 1.00 38.65 C ATOM 61 NE ARG A 206 -6.029 29.113 24.152 1.00 46.32 N ATOM 62 CZ ARG A 206 -7.148 29.721 23.774 1.00 50.69 C ATOM 63 NH1 ARG A 206 -7.404 29.886 22.493 1.00 51.54 N ATOM 64 NH2 ARG A 206 -8.018 30.159 24.685 1.00 51.26 N ATOM 65 HA ARG A 206 -3.245 28.488 27.228 1.00 0.00 H ATOM 66 HB2 ARG A 206 -3.516 31.424 26.488 1.00 0.00 H ATOM 67 HB3 ARG A 206 -3.263 30.070 25.362 1.00 0.00 H ATOM 68 HG2 ARG A 206 -5.686 30.331 27.118 1.00 0.00 H ATOM 69 HG3 ARG A 206 -5.575 31.031 25.486 1.00 0.00 H ATOM 70 HD2 ARG A 206 -6.505 28.531 26.102 1.00 0.00 H ATOM 71 HD3 ARG A 206 -4.828 28.207 25.603 1.00 0.00 H ATOM 72 HE ARG A 206 -5.388 28.757 23.414 1.00 0.00 H ATOM 73 HH12 ARG A 206 -8.279 30.362 22.195 1.00 0.00 H ATOM 74 HH11 ARG A 206 -6.731 29.541 21.779 1.00 0.00 H ATOM 75 HH22 ARG A 206 -8.892 30.634 24.383 1.00 0.00 H ATOM 76 HH21 ARG A 206 -7.822 30.025 25.698 1.00 0.00 H ATOM 77 H ARG A 206 -3.941 30.791 29.016 1.00 0.00 H ATOM 78 N VAL A 207 -0.822 29.148 26.741 1.00 16.54 N ATOM 79 CA VAL A 207 0.603 29.429 26.575 1.00 15.76 C ATOM 80 C VAL A 207 0.935 29.263 25.078 1.00 16.03 C ATOM 81 O VAL A 207 0.160 28.674 24.340 1.00 16.35 O ATOM 82 CB VAL A 207 1.491 28.455 27.383 1.00 14.53 C ATOM 83 CG1 VAL A 207 1.272 28.616 28.903 1.00 15.22 C ATOM 84 CG2 VAL A 207 1.249 26.962 26.977 1.00 15.23 C ATOM 85 HA VAL A 207 0.804 30.437 26.938 1.00 0.00 H ATOM 86 HB VAL A 207 2.522 28.714 27.143 1.00 0.00 H ATOM 87 HG11 VAL A 207 1.520 29.635 29.199 1.00 0.00 H ATOM 88 HG12 VAL A 207 0.229 28.411 29.142 1.00 0.00 H ATOM 89 HG13 VAL A 207 1.913 27.915 29.437 1.00 0.00 H ATOM 90 HG21 VAL A 207 0.206 26.702 27.159 1.00 0.00 H ATOM 91 HG22 VAL A 207 1.478 26.833 25.919 1.00 0.00 H ATOM 92 HG23 VAL A 207 1.895 26.316 27.571 1.00 0.00 H ATOM 93 H VAL A 207 -1.228 28.319 26.261 1.00 0.00 H ATOM 94 N ARG A 208 2.083 29.760 24.655 1.00 16.22 N ATOM 95 CA ARG A 208 2.536 29.618 23.278 1.00 17.66 C ATOM 96 C ARG A 208 3.767 28.750 23.252 1.00 15.99 C ATOM 97 O ARG A 208 4.614 28.835 24.128 1.00 16.14 O ATOM 98 CB ARG A 208 2.921 30.985 22.695 1.00 19.66 C ATOM 99 CG ARG A 208 1.767 31.832 22.344 1.00 25.06 C ATOM 100 CD ARG A 208 1.651 32.095 20.808 1.00 29.85 C ATOM 101 NE ARG A 208 0.442 32.863 20.619 1.00 28.90 N ATOM 102 CZ ARG A 208 -0.528 32.570 19.791 1.00 29.47 C ATOM 103 NH1 ARG A 208 -0.459 31.520 18.987 1.00 23.31 N ATOM 104 NH2 ARG A 208 -1.601 33.350 19.769 1.00 33.89 N ATOM 105 HA ARG A 208 1.728 29.179 22.693 1.00 0.00 H ATOM 106 HB2 ARG A 208 3.524 31.515 23.432 1.00 0.00 H ATOM 107 HB3 ARG A 208 3.512 30.820 21.794 1.00 0.00 H ATOM 108 HG2 ARG A 208 0.856 31.337 22.682 1.00 0.00 H ATOM 109 HG3 ARG A 208 1.870 32.790 22.854 1.00 0.00 H ATOM 110 HD2 ARG A 208 1.588 31.151 20.267 1.00 0.00 H ATOM 111 HD3 ARG A 208 2.515 32.658 20.455 1.00 0.00 H ATOM 112 HE ARG A 208 0.333 33.724 21.191 1.00 0.00 H ATOM 113 HH12 ARG A 208 -1.244 31.309 18.338 1.00 0.00 H ATOM 114 HH11 ARG A 208 0.380 30.906 19.004 1.00 0.00 H ATOM 115 HH22 ARG A 208 -2.385 33.138 19.120 1.00 0.00 H ATOM 116 HH21 ARG A 208 -1.658 34.174 20.401 1.00 0.00 H ATOM 117 H ARG A 208 2.686 30.272 25.330 1.00 0.00 H ATOM 118 N ALA A 209 3.808 27.864 22.258 1.00 15.31 N ATOM 119 CA ALA A 209 4.970 27.050 22.068 1.00 16.16 C ATOM 120 C ALA A 209 6.204 27.826 21.575 1.00 17.29 C ATOM 121 O ALA A 209 6.130 28.585 20.565 1.00 18.26 O ATOM 122 CB ALA A 209 4.636 25.892 21.068 1.00 15.71 C ATOM 123 HA ALA A 209 5.235 26.654 23.048 1.00 0.00 H ATOM 124 HB1 ALA A 209 3.828 25.284 21.475 1.00 0.00 H ATOM 125 HB2 ALA A 209 4.328 26.316 20.112 1.00 0.00 H ATOM 126 HB3 ALA A 209 5.521 25.272 20.923 1.00 0.00 H ATOM 127 H ALA A 209 2.994 27.764 21.619 1.00 0.00 H ATOM 128 N LEU A 210 7.315 27.576 22.249 1.00 19.20 N ATOM 129 CA LEU A 210 8.626 28.145 21.866 1.00 19.91 C ATOM 130 C LEU A 210 9.354 27.236 20.861 1.00 21.05 C ATOM 131 O LEU A 210 10.226 27.701 20.087 1.00 21.41 O ATOM 132 CB LEU A 210 9.465 28.309 23.124 1.00 20.76 C ATOM 133 CG LEU A 210 9.036 29.410 24.078 1.00 22.98 C ATOM 134 CD1 LEU A 210 9.884 29.382 25.295 1.00 23.14 C ATOM 135 CD2 LEU A 210 9.158 30.737 23.341 1.00 20.46 C ATOM 136 HA LEU A 210 8.472 29.111 21.385 1.00 0.00 H ATOM 137 HB2 LEU A 210 9.435 27.366 23.669 1.00 0.00 H ATOM 138 HB3 LEU A 210 10.490 28.516 22.816 1.00 0.00 H ATOM 139 HG LEU A 210 8.004 29.269 24.400 1.00 0.00 H ATOM 140 HD21 LEU A 210 10.193 30.885 23.031 1.00 0.00 H ATOM 141 HD22 LEU A 210 8.513 30.724 22.463 1.00 0.00 H ATOM 142 HD23 LEU A 210 8.856 31.548 24.003 1.00 0.00 H ATOM 143 HD11 LEU A 210 9.777 28.416 25.788 1.00 0.00 H ATOM 144 HD12 LEU A 210 10.926 29.535 25.014 1.00 0.00 H ATOM 145 HD13 LEU A 210 9.570 30.175 25.974 1.00 0.00 H ATOM 146 H LEU A 210 7.265 26.955 23.081 1.00 0.00 H ATOM 147 N TYR A 211 8.991 25.946 20.819 1.00 20.40 N ATOM 148 CA TYR A 211 9.706 24.982 19.980 1.00 19.96 C ATOM 149 C TYR A 211 8.692 23.985 19.460 1.00 18.95 C ATOM 150 O TYR A 211 7.631 23.817 20.058 1.00 18.55 O ATOM 151 CB TYR A 211 10.793 24.228 20.787 1.00 20.16 C ATOM 152 CG TYR A 211 11.683 25.180 21.578 1.00 21.51 C ATOM 153 CD1 TYR A 211 12.711 25.880 20.938 1.00 28.45 C ATOM 154 CD2 TYR A 211 11.435 25.431 22.908 1.00 24.33 C ATOM 155 CE1 TYR A 211 13.484 26.822 21.639 1.00 29.91 C ATOM 156 CE2 TYR A 211 12.165 26.340 23.603 1.00 29.33 C ATOM 157 CZ TYR A 211 13.203 27.022 22.986 1.00 31.87 C ATOM 158 OH TYR A 211 13.928 27.935 23.739 1.00 35.75 O ATOM 159 HA TYR A 211 10.202 25.510 19.166 1.00 0.00 H ATOM 160 HB3 TYR A 211 11.414 23.659 20.095 1.00 0.00 H ATOM 161 HB2 TYR A 211 10.305 23.544 21.481 1.00 0.00 H ATOM 162 HD2 TYR A 211 10.636 24.889 23.414 1.00 0.00 H ATOM 163 HE2 TYR A 211 11.934 26.535 24.650 1.00 0.00 H ATOM 164 HE1 TYR A 211 14.279 27.378 21.142 1.00 0.00 H ATOM 165 HD1 TYR A 211 12.915 25.693 19.884 1.00 0.00 H ATOM 166 HH TYR A 211 14.631 28.343 23.174 1.00 0.00 H ATOM 167 H TYR A 211 8.186 25.624 21.393 1.00 0.00 H ATOM 168 N ASP A 212 9.041 23.283 18.395 1.00 18.52 N ATOM 169 CA ASP A 212 8.315 22.099 17.998 1.00 19.06 C ATOM 170 C ASP A 212 8.521 20.979 19.032 1.00 18.26 C ATOM 171 O ASP A 212 9.595 20.846 19.670 1.00 17.65 O ATOM 172 CB ASP A 212 8.842 21.546 16.666 1.00 20.32 C ATOM 173 CG ASP A 212 8.603 22.440 15.497 1.00 26.53 C ATOM 174 OD1 ASP A 212 9.180 22.097 14.421 1.00 25.85 O ATOM 175 OD2 ASP A 212 7.857 23.451 15.512 1.00 23.87 O ATOM 176 HA ASP A 212 7.267 22.386 17.913 1.00 0.00 H ATOM 177 HB2 ASP A 212 9.916 21.388 16.762 1.00 0.00 H ATOM 178 HB3 ASP A 212 8.351 20.592 16.473 1.00 0.00 H ATOM 179 H ASP A 212 9.858 23.591 17.830 1.00 0.00 H ATOM 180 N PHE A 213 7.470 20.189 19.213 1.00 16.13 N ATOM 181 CA PHE A 213 7.580 18.953 20.042 1.00 16.20 C ATOM 182 C PHE A 213 6.730 17.890 19.402 1.00 18.16 C ATOM 183 O PHE A 213 5.499 18.046 19.285 1.00 17.89 O ATOM 184 CB PHE A 213 7.049 19.232 21.460 1.00 15.49 C ATOM 185 CG PHE A 213 7.070 18.054 22.385 1.00 16.53 C ATOM 186 CD1 PHE A 213 5.872 17.387 22.726 1.00 15.33 C ATOM 187 CD2 PHE A 213 8.270 17.618 22.940 1.00 16.04 C ATOM 188 CE1 PHE A 213 5.907 16.301 23.629 1.00 14.95 C ATOM 189 CE2 PHE A 213 8.334 16.526 23.800 1.00 15.74 C ATOM 190 CZ PHE A 213 7.147 15.853 24.149 1.00 17.45 C ATOM 191 HA PHE A 213 8.620 18.633 20.105 1.00 0.00 H ATOM 192 HB2 PHE A 213 7.659 20.020 21.901 1.00 0.00 H ATOM 193 HB3 PHE A 213 6.019 19.577 21.374 1.00 0.00 H ATOM 194 HD2 PHE A 213 9.189 18.149 22.693 1.00 0.00 H ATOM 195 HE2 PHE A 213 9.293 16.195 24.199 1.00 0.00 H ATOM 196 HZ PHE A 213 7.182 14.992 24.816 1.00 0.00 H ATOM 197 HE1 PHE A 213 4.981 15.808 23.926 1.00 0.00 H ATOM 198 HD1 PHE A 213 4.924 17.709 22.294 1.00 0.00 H ATOM 199 H PHE A 213 6.560 20.434 18.773 1.00 0.00 H ATOM 200 N GLU A 214 7.342 16.764 19.020 1.00 17.97 N ATOM 201 CA GLU A 214 6.572 15.662 18.448 1.00 20.13 C ATOM 202 C GLU A 214 6.391 14.556 19.481 1.00 21.00 C ATOM 203 O GLU A 214 7.387 14.041 20.009 1.00 20.05 O ATOM 204 CB GLU A 214 7.275 15.107 17.190 1.00 20.34 C ATOM 205 CG GLU A 214 6.602 13.856 16.644 1.00 27.81 C ATOM 206 CD GLU A 214 5.348 14.155 15.851 1.00 37.57 C ATOM 207 OE1 GLU A 214 5.434 14.873 14.848 1.00 41.38 O ATOM 208 OE2 GLU A 214 4.257 13.673 16.214 1.00 44.34 O ATOM 209 HA GLU A 214 5.591 16.038 18.159 1.00 0.00 H ATOM 210 HB2 GLU A 214 7.264 15.875 16.417 1.00 0.00 H ATOM 211 HB3 GLU A 214 8.307 14.865 17.445 1.00 0.00 H ATOM 212 HG2 GLU A 214 7.308 13.337 15.995 1.00 0.00 H ATOM 213 HG3 GLU A 214 6.338 13.210 17.481 1.00 0.00 H ATOM 214 H GLU A 214 8.372 16.672 19.131 1.00 0.00 H ATOM 215 N ALA A 215 5.144 14.237 19.825 1.00 18.35 N ATOM 216 CA ALA A 215 4.820 13.182 20.763 1.00 20.52 C ATOM 217 C ALA A 215 5.520 11.867 20.380 1.00 22.91 C ATOM 218 O ALA A 215 5.536 11.471 19.186 1.00 23.81 O ATOM 219 CB ALA A 215 3.299 12.948 20.787 1.00 20.25 C ATOM 220 HA ALA A 215 5.166 13.494 21.748 1.00 0.00 H ATOM 221 HB1 ALA A 215 2.796 13.866 21.091 1.00 0.00 H ATOM 222 HB2 ALA A 215 2.961 12.660 19.792 1.00 0.00 H ATOM 223 HB3 ALA A 215 3.066 12.153 21.495 1.00 0.00 H ATOM 224 H ALA A 215 4.362 14.774 19.398 1.00 0.00 H ATOM 225 N VAL A 216 6.117 11.201 21.360 1.00 24.49 N ATOM 226 CA VAL A 216 6.684 9.867 21.108 1.00 27.30 C ATOM 227 C VAL A 216 5.798 8.787 21.745 1.00 28.97 C ATOM 228 O VAL A 216 5.618 7.733 21.152 1.00 32.30 O ATOM 229 CB VAL A 216 8.117 9.723 21.613 1.00 26.07 C ATOM 230 CG1 VAL A 216 8.955 10.779 21.029 1.00 27.16 C ATOM 231 CG2 VAL A 216 8.136 9.769 23.110 1.00 27.89 C ATOM 232 HA VAL A 216 6.712 9.738 20.026 1.00 0.00 H ATOM 233 HB VAL A 216 8.523 8.760 21.304 1.00 0.00 H ATOM 234 HG11 VAL A 216 8.943 10.691 19.943 1.00 0.00 H ATOM 235 HG12 VAL A 216 8.564 11.754 21.320 1.00 0.00 H ATOM 236 HG13 VAL A 216 9.977 10.672 21.392 1.00 0.00 H ATOM 237 HG21 VAL A 216 7.729 10.722 23.448 1.00 0.00 H ATOM 238 HG22 VAL A 216 7.531 8.953 23.505 1.00 0.00 H ATOM 239 HG23 VAL A 216 9.162 9.666 23.462 1.00 0.00 H ATOM 240 H VAL A 216 6.184 11.623 22.308 1.00 0.00 H ATOM 241 N GLU A 217 5.291 9.043 22.947 1.00 30.12 N ATOM 242 CA GLU A 217 4.370 8.142 23.647 1.00 30.68 C ATOM 243 C GLU A 217 2.942 8.622 23.353 1.00 30.35 C ATOM 244 O GLU A 217 2.737 9.805 22.986 1.00 29.40 O ATOM 245 CB GLU A 217 4.664 8.124 25.165 1.00 31.10 C ATOM 246 CG GLU A 217 6.098 7.727 25.553 1.00 36.45 C ATOM 247 CD GLU A 217 6.409 7.695 27.062 1.00 43.03 C ATOM 248 OE1 GLU A 217 7.611 7.684 27.441 1.00 44.62 O ATOM 249 OE2 GLU A 217 5.477 7.691 27.896 1.00 47.21 O ATOM 250 HA GLU A 217 4.495 7.117 23.297 1.00 0.00 H ATOM 251 HB2 GLU A 217 4.473 9.123 25.557 1.00 0.00 H ATOM 252 HB3 GLU A 217 3.980 7.415 25.632 1.00 0.00 H ATOM 253 HG2 GLU A 217 6.288 6.731 25.153 1.00 0.00 H ATOM 254 HG3 GLU A 217 6.779 8.440 25.088 1.00 0.00 H ATOM 255 H GLU A 217 5.562 9.931 23.416 1.00 0.00 H ATOM 256 N ASP A 218 1.973 7.705 23.508 1.00 29.01 N ATOM 257 CA ASP A 218 0.574 7.959 23.212 1.00 27.07 C ATOM 258 C ASP A 218 0.005 9.064 24.093 1.00 25.59 C ATOM 259 O ASP A 218 -0.908 9.759 23.671 1.00 27.00 O ATOM 260 CB ASP A 218 -0.309 6.622 23.369 1.00 28.29 C ATOM 261 HA ASP A 218 0.525 8.289 22.174 1.00 0.00 H ATOM 262 HB2 ASP A 218 0.059 5.862 22.680 1.00 0.00 H ATOM 263 HB3 ASP A 218 -0.231 6.255 24.392 1.00 0.00 H ATOM 264 H ASP A 218 2.239 6.763 23.859 1.00 0.00 H ATOM 265 N ASN A 219 0.508 9.173 25.321 1.00 23.15 N ATOM 266 CA ASN A 219 -0.012 10.155 26.291 1.00 22.34 C ATOM 267 C ASN A 219 0.598 11.559 26.134 1.00 18.51 C ATOM 268 O ASN A 219 0.369 12.408 27.001 1.00 19.18 O ATOM 269 CB ASN A 219 0.163 9.731 27.763 1.00 23.59 C ATOM 270 CG ASN A 219 1.616 9.640 28.186 1.00 26.36 C ATOM 271 OD1 ASN A 219 2.543 9.987 27.440 1.00 29.20 O ATOM 272 ND2 ASN A 219 1.830 9.151 29.420 1.00 32.29 N ATOM 273 HA ASN A 219 -1.075 10.190 26.051 1.00 0.00 H ATOM 274 HB2 ASN A 219 -0.338 10.462 28.397 1.00 0.00 H ATOM 275 HB3 ASN A 219 -0.301 8.754 27.901 1.00 0.00 H ATOM 276 HD22 ASN A 219 1.025 8.871 30.015 1.00 0.00 H ATOM 277 HD21 ASN A 219 2.801 9.053 29.779 1.00 0.00 H ATOM 278 H ASN A 219 1.290 8.548 25.604 1.00 0.00 H ATOM 279 N GLU A 220 1.400 11.752 25.102 1.00 18.62 N ATOM 280 CA GLU A 220 2.038 13.077 24.846 1.00 16.02 C ATOM 281 C GLU A 220 1.281 13.841 23.776 1.00 16.19 C ATOM 282 O GLU A 220 0.594 13.245 22.945 1.00 17.54 O ATOM 283 CB GLU A 220 3.474 12.899 24.401 1.00 16.59 C ATOM 284 CG GLU A 220 4.361 12.459 25.557 1.00 17.85 C ATOM 285 CD GLU A 220 5.766 12.103 25.157 1.00 19.16 C ATOM 286 OE1 GLU A 220 6.160 12.301 23.996 1.00 19.68 O ATOM 287 OE2 GLU A 220 6.517 11.628 26.068 1.00 23.40 O ATOM 288 HA GLU A 220 2.013 13.642 25.778 1.00 0.00 H ATOM 289 HB2 GLU A 220 3.512 12.143 23.616 1.00 0.00 H ATOM 290 HB3 GLU A 220 3.845 13.846 24.009 1.00 0.00 H ATOM 291 HG2 GLU A 220 4.407 13.272 26.281 1.00 0.00 H ATOM 292 HG3 GLU A 220 3.906 11.585 26.023 1.00 0.00 H ATOM 293 H GLU A 220 1.591 10.962 24.453 1.00 0.00 H ATOM 294 N LEU A 221 1.410 15.176 23.797 1.00 14.98 N ATOM 295 CA LEU A 221 0.809 16.081 22.819 1.00 15.78 C ATOM 296 C LEU A 221 1.813 16.535 21.805 1.00 18.00 C ATOM 297 O LEU A 221 2.934 16.865 22.184 1.00 22.39 O ATOM 298 CB LEU A 221 0.326 17.335 23.594 1.00 15.94 C ATOM 299 CG LEU A 221 -0.437 18.364 22.761 1.00 15.76 C ATOM 300 CD1 LEU A 221 -1.676 17.690 22.083 1.00 20.83 C ATOM 301 CD2 LEU A 221 -0.843 19.563 23.708 1.00 20.27 C ATOM 302 HA LEU A 221 0.000 15.564 22.303 1.00 0.00 H ATOM 303 HB2 LEU A 221 -0.328 17.002 24.400 1.00 0.00 H ATOM 304 HB3 LEU A 221 1.201 17.827 24.018 1.00 0.00 H ATOM 305 HG LEU A 221 0.185 18.755 21.956 1.00 0.00 H ATOM 306 HD21 LEU A 221 -1.475 19.190 24.514 1.00 0.00 H ATOM 307 HD22 LEU A 221 0.056 20.013 24.128 1.00 0.00 H ATOM 308 HD23 LEU A 221 -1.390 20.310 23.132 1.00 0.00 H ATOM 309 HD11 LEU A 221 -1.339 16.881 21.435 1.00 0.00 H ATOM 310 HD12 LEU A 221 -2.336 17.289 22.852 1.00 0.00 H ATOM 311 HD13 LEU A 221 -2.213 18.432 21.492 1.00 0.00 H ATOM 312 H LEU A 221 1.976 15.596 24.561 1.00 0.00 H ATOM 313 N THR A 222 1.437 16.600 20.527 1.00 16.79 N ATOM 314 CA THR A 222 2.305 17.152 19.490 1.00 15.99 C ATOM 315 C THR A 222 1.995 18.607 19.241 1.00 17.04 C ATOM 316 O THR A 222 0.821 18.969 19.114 1.00 17.08 O ATOM 317 CB THR A 222 2.094 16.356 18.195 1.00 17.05 C ATOM 318 OG1 THR A 222 2.745 15.087 18.370 1.00 18.11 O ATOM 319 CG2 THR A 222 2.748 17.056 16.991 1.00 19.01 C ATOM 320 HA THR A 222 3.341 17.077 19.820 1.00 0.00 H ATOM 321 HB THR A 222 1.025 16.261 18.002 1.00 0.00 H ATOM 322 HG1 THR A 222 2.630 14.543 17.551 1.00 0.00 H ATOM 323 HG23 THR A 222 2.273 18.024 16.833 1.00 0.00 H ATOM 324 HG21 THR A 222 3.810 17.199 17.188 1.00 0.00 H ATOM 325 HG22 THR A 222 2.622 16.439 16.101 1.00 0.00 H ATOM 326 H THR A 222 0.496 16.246 20.260 1.00 0.00 H ATOM 327 N PHE A 223 3.011 19.435 19.161 1.00 15.87 N ATOM 328 CA PHE A 223 2.756 20.830 18.810 1.00 15.44 C ATOM 329 C PHE A 223 3.903 21.454 18.025 1.00 18.35 C ATOM 330 O PHE A 223 4.997 20.895 17.948 1.00 18.11 O ATOM 331 CB PHE A 223 2.401 21.654 20.053 1.00 15.13 C ATOM 332 CG PHE A 223 3.427 21.640 21.140 1.00 16.59 C ATOM 333 CD1 PHE A 223 4.575 22.437 21.059 1.00 14.99 C ATOM 334 CD2 PHE A 223 3.205 20.897 22.298 1.00 21.06 C ATOM 335 CE1 PHE A 223 5.516 22.456 22.123 1.00 17.09 C ATOM 336 CE2 PHE A 223 4.132 20.922 23.350 1.00 23.61 C ATOM 337 CZ PHE A 223 5.308 21.752 23.245 1.00 19.90 C ATOM 338 HA PHE A 223 1.892 20.840 18.145 1.00 0.00 H ATOM 339 HB2 PHE A 223 2.253 22.688 19.742 1.00 0.00 H ATOM 340 HB3 PHE A 223 1.470 21.263 20.463 1.00 0.00 H ATOM 341 HD2 PHE A 223 2.303 20.291 22.387 1.00 0.00 H ATOM 342 HE2 PHE A 223 3.965 20.318 24.242 1.00 0.00 H ATOM 343 HZ PHE A 223 6.019 21.806 24.069 1.00 0.00 H ATOM 344 HE1 PHE A 223 6.423 23.053 22.026 1.00 0.00 H ATOM 345 HD1 PHE A 223 4.748 23.048 20.173 1.00 0.00 H ATOM 346 H PHE A 223 3.980 19.104 19.344 1.00 0.00 H ATOM 347 N LYS A 224 3.661 22.656 17.486 1.00 19.18 N ATOM 348 CA LYS A 224 4.631 23.333 16.626 1.00 20.44 C ATOM 349 C LYS A 224 4.923 24.718 17.193 1.00 20.53 C ATOM 350 O LYS A 224 4.050 25.358 17.782 1.00 19.07 O ATOM 351 CB LYS A 224 4.107 23.433 15.166 1.00 22.04 C ATOM 352 CG LYS A 224 3.688 22.062 14.607 1.00 22.99 C ATOM 353 CD LYS A 224 4.882 21.104 14.569 1.00 29.02 C ATOM 354 CE LYS A 224 4.510 19.741 13.954 1.00 31.60 C ATOM 355 NZ LYS A 224 4.846 19.851 12.495 1.00 41.86 N ATOM 356 HA LYS A 224 5.553 22.752 16.602 1.00 0.00 H ATOM 357 HB2 LYS A 224 3.245 24.099 15.146 1.00 0.00 H ATOM 358 HB3 LYS A 224 4.896 23.844 14.536 1.00 0.00 H ATOM 359 HG2 LYS A 224 2.910 21.639 15.242 1.00 0.00 H ATOM 360 HG3 LYS A 224 3.300 22.191 13.597 1.00 0.00 H ATOM 361 HD2 LYS A 224 5.676 21.554 13.973 1.00 0.00 H ATOM 362 HD3 LYS A 224 5.239 20.945 15.587 1.00 0.00 H ATOM 363 HE2 LYS A 224 3.447 19.541 14.086 1.00 0.00 H ATOM 364 HE3 LYS A 224 5.089 18.943 14.419 1.00 0.00 H ATOM 365 HZ1 LYS A 224 4.293 20.623 12.070 1.00 0.00 H ATOM 366 HZ2 LYS A 224 5.861 20.051 12.388 1.00 0.00 H ATOM 367 HZ3 LYS A 224 4.616 18.955 12.019 1.00 0.00 H ATOM 368 H LYS A 224 2.754 23.123 17.686 1.00 0.00 H ATOM 369 N HIS A 225 6.139 25.189 16.955 1.00 19.62 N ATOM 370 CA HIS A 225 6.578 26.535 17.343 1.00 22.34 C ATOM 371 C HIS A 225 5.529 27.579 16.981 1.00 21.30 C ATOM 372 O HIS A 225 5.014 27.547 15.867 1.00 21.40 O ATOM 373 CB HIS A 225 7.878 26.903 16.578 1.00 25.14 C ATOM 374 CG HIS A 225 8.309 28.334 16.735 1.00 31.40 C ATOM 375 ND1 HIS A 225 8.427 29.191 15.662 1.00 38.33 N ATOM 376 CD2 HIS A 225 8.660 29.056 17.830 1.00 36.09 C ATOM 377 CE1 HIS A 225 8.823 30.381 16.086 1.00 40.37 C ATOM 378 NE2 HIS A 225 8.973 30.327 17.399 1.00 39.22 N ATOM 379 HA HIS A 225 6.741 26.529 18.421 1.00 0.00 H ATOM 380 HB2 HIS A 225 8.681 26.263 16.943 1.00 0.00 H ATOM 381 HB3 HIS A 225 7.716 26.710 15.518 1.00 0.00 H ATOM 382 HD2 HIS A 225 8.689 28.697 18.859 1.00 0.00 H ATOM 383 HE1 HIS A 225 8.996 31.256 15.460 1.00 0.00 H ATOM 384 H HIS A 225 6.819 24.572 16.467 1.00 0.00 H ATOM 385 N GLY A 226 5.160 28.434 17.942 1.00 20.05 N ATOM 386 CA GLY A 226 4.219 29.500 17.653 1.00 19.91 C ATOM 387 C GLY A 226 2.746 29.207 17.913 1.00 20.89 C ATOM 388 O GLY A 226 1.938 30.136 17.934 1.00 20.60 O ATOM 389 HA3 GLY A 226 4.323 29.755 16.598 1.00 0.00 H ATOM 390 HA2 GLY A 226 4.497 30.360 18.263 1.00 0.00 H ATOM 391 H GLY A 226 5.550 28.334 18.901 1.00 0.00 H ATOM 392 N GLU A 227 2.384 27.924 18.077 1.00 17.71 N ATOM 393 CA GLU A 227 1.029 27.517 18.344 1.00 18.12 C ATOM 394 C GLU A 227 0.583 27.780 19.789 1.00 19.00 C ATOM 395 O GLU A 227 1.401 27.887 20.704 1.00 20.11 O ATOM 396 CB GLU A 227 0.801 26.043 18.020 1.00 17.46 C ATOM 397 CG GLU A 227 1.042 25.662 16.574 1.00 17.22 C ATOM 398 CD GLU A 227 0.779 24.205 16.325 1.00 17.69 C ATOM 399 OE1 GLU A 227 0.504 23.796 15.186 1.00 18.12 O ATOM 400 OE2 GLU A 227 0.858 23.426 17.315 1.00 17.65 O ATOM 401 HA GLU A 227 0.421 28.137 17.685 1.00 0.00 H ATOM 402 HB2 GLU A 227 1.472 25.452 18.642 1.00 0.00 H ATOM 403 HB3 GLU A 227 -0.232 25.798 18.267 1.00 0.00 H ATOM 404 HG2 GLU A 227 0.381 26.253 15.939 1.00 0.00 H ATOM 405 HG3 GLU A 227 2.079 25.881 16.320 1.00 0.00 H ATOM 406 H GLU A 227 3.117 27.190 18.008 1.00 0.00 H ATOM 407 N LEU A 228 -0.716 27.883 19.950 1.00 18.45 N ATOM 408 CA LEU A 228 -1.326 28.047 21.265 1.00 19.19 C ATOM 409 C LEU A 228 -1.578 26.657 21.850 1.00 17.90 C ATOM 410 O LEU A 228 -1.961 25.736 21.133 1.00 18.94 O ATOM 411 CB LEU A 228 -2.667 28.789 21.100 1.00 21.67 C ATOM 412 CG LEU A 228 -3.028 29.860 22.145 1.00 27.29 C ATOM 413 CD1 LEU A 228 -1.933 30.863 22.460 1.00 26.88 C ATOM 414 CD2 LEU A 228 -4.317 30.566 21.630 1.00 31.86 C ATOM 415 HA LEU A 228 -0.674 28.618 21.926 1.00 0.00 H ATOM 416 HB2 LEU A 228 -2.651 29.277 20.126 1.00 0.00 H ATOM 417 HB3 LEU A 228 -3.458 28.039 21.116 1.00 0.00 H ATOM 418 HG LEU A 228 -3.181 29.361 23.102 1.00 0.00 H ATOM 419 HD21 LEU A 228 -4.118 31.020 20.659 1.00 0.00 H ATOM 420 HD22 LEU A 228 -5.117 29.832 21.532 1.00 0.00 H ATOM 421 HD23 LEU A 228 -4.615 31.338 22.340 1.00 0.00 H ATOM 422 HD11 LEU A 228 -1.061 30.337 22.848 1.00 0.00 H ATOM 423 HD12 LEU A 228 -1.661 31.400 21.551 1.00 0.00 H ATOM 424 HD13 LEU A 228 -2.294 31.570 23.207 1.00 0.00 H ATOM 425 H LEU A 228 -1.331 27.846 19.112 1.00 0.00 H ATOM 426 N ILE A 229 -1.318 26.521 23.119 1.00 17.33 N ATOM 427 CA ILE A 229 -1.706 25.350 23.899 1.00 16.61 C ATOM 428 C ILE A 229 -2.527 25.814 25.078 1.00 17.16 C ATOM 429 O ILE A 229 -2.147 26.779 25.763 1.00 17.99 O ATOM 430 CB ILE A 229 -0.454 24.595 24.410 1.00 16.71 C ATOM 431 CG1 ILE A 229 0.414 24.199 23.195 1.00 18.33 C ATOM 432 CG2 ILE A 229 -0.856 23.388 25.317 1.00 15.90 C ATOM 433 CD1 ILE A 229 1.901 23.942 23.533 1.00 24.77 C ATOM 434 HA ILE A 229 -2.284 24.672 23.271 1.00 0.00 H ATOM 435 HB ILE A 229 0.147 25.241 25.050 1.00 0.00 H ATOM 436 HG12 ILE A 229 -0.000 23.289 22.761 1.00 0.00 H ATOM 437 HG13 ILE A 229 0.364 25.004 22.462 1.00 0.00 H ATOM 438 HD11 ILE A 229 2.338 24.846 23.957 1.00 0.00 H ATOM 439 HD12 ILE A 229 1.973 23.129 24.256 1.00 0.00 H ATOM 440 HD13 ILE A 229 2.437 23.670 22.624 1.00 0.00 H ATOM 441 HG21 ILE A 229 -1.419 23.753 26.176 1.00 0.00 H ATOM 442 HG22 ILE A 229 -1.472 22.695 24.745 1.00 0.00 H ATOM 443 HG23 ILE A 229 0.044 22.878 25.660 1.00 0.00 H ATOM 444 H ILE A 229 -0.807 27.287 23.602 1.00 0.00 H ATOM 445 N THR A 230 -3.619 25.115 25.380 1.00 15.87 N ATOM 446 CA THR A 230 -4.308 25.326 26.642 1.00 17.76 C ATOM 447 C THR A 230 -3.718 24.381 27.719 1.00 17.62 C ATOM 448 O THR A 230 -3.696 23.143 27.524 1.00 19.11 O ATOM 449 CB THR A 230 -5.861 25.069 26.451 1.00 18.14 C ATOM 450 OG1 THR A 230 -6.338 26.063 25.540 1.00 21.74 O ATOM 451 CG2 THR A 230 -6.617 25.330 27.744 1.00 21.24 C ATOM 452 HA THR A 230 -4.168 26.355 26.972 1.00 0.00 H ATOM 453 HB THR A 230 -6.009 24.042 26.118 1.00 0.00 H ATOM 454 HG1 THR A 230 -5.859 25.976 24.678 1.00 0.00 H ATOM 455 HG23 THR A 230 -6.307 24.606 28.497 1.00 0.00 H ATOM 456 HG21 THR A 230 -6.397 26.338 28.095 1.00 0.00 H ATOM 457 HG22 THR A 230 -7.688 25.232 27.564 1.00 0.00 H ATOM 458 H THR A 230 -3.983 24.411 24.706 1.00 0.00 H ATOM 459 N VAL A 231 -3.297 24.945 28.854 1.00 16.52 N ATOM 460 CA VAL A 231 -2.771 24.153 29.941 1.00 15.53 C ATOM 461 C VAL A 231 -3.923 23.646 30.787 1.00 19.27 C ATOM 462 O VAL A 231 -4.607 24.471 31.426 1.00 20.69 O ATOM 463 CB VAL A 231 -1.807 24.999 30.802 1.00 13.94 C ATOM 464 CG1 VAL A 231 -1.159 24.163 31.930 1.00 12.27 C ATOM 465 CG2 VAL A 231 -0.691 25.509 29.944 1.00 15.90 C ATOM 466 HA VAL A 231 -2.215 23.306 29.538 1.00 0.00 H ATOM 467 HB VAL A 231 -2.393 25.809 31.236 1.00 0.00 H ATOM 468 HG11 VAL A 231 -1.939 23.765 32.579 1.00 0.00 H ATOM 469 HG12 VAL A 231 -0.594 23.340 31.492 1.00 0.00 H ATOM 470 HG13 VAL A 231 -0.489 24.797 32.511 1.00 0.00 H ATOM 471 HG21 VAL A 231 -0.151 24.666 29.514 1.00 0.00 H ATOM 472 HG22 VAL A 231 -1.102 26.125 29.144 1.00 0.00 H ATOM 473 HG23 VAL A 231 -0.011 26.106 30.552 1.00 0.00 H ATOM 474 H VAL A 231 -3.349 25.979 28.957 1.00 0.00 H ATOM 475 N LEU A 232 -4.132 22.321 30.773 1.00 19.33 N ATOM 476 CA LEU A 232 -5.269 21.729 31.505 1.00 21.07 C ATOM 477 C LEU A 232 -4.925 21.303 32.892 1.00 22.38 C ATOM 478 O LEU A 232 -5.800 21.265 33.777 1.00 24.98 O ATOM 479 CB LEU A 232 -5.832 20.547 30.724 1.00 20.42 C ATOM 480 CG LEU A 232 -6.332 20.804 29.302 1.00 20.65 C ATOM 481 CD1 LEU A 232 -6.698 19.434 28.658 1.00 24.55 C ATOM 482 CD2 LEU A 232 -7.490 21.837 29.199 1.00 21.91 C ATOM 483 HA LEU A 232 -6.020 22.514 31.598 1.00 0.00 H ATOM 484 HB2 LEU A 232 -5.046 19.795 30.661 1.00 0.00 H ATOM 485 HB3 LEU A 232 -6.670 20.149 31.296 1.00 0.00 H ATOM 486 HG LEU A 232 -5.524 21.279 28.745 1.00 0.00 H ATOM 487 HD21 LEU A 232 -8.344 21.482 29.775 1.00 0.00 H ATOM 488 HD22 LEU A 232 -7.156 22.796 29.595 1.00 0.00 H ATOM 489 HD23 LEU A 232 -7.778 21.955 28.154 1.00 0.00 H ATOM 490 HD11 LEU A 232 -5.814 18.797 28.635 1.00 0.00 H ATOM 491 HD12 LEU A 232 -7.478 18.953 29.248 1.00 0.00 H ATOM 492 HD13 LEU A 232 -7.057 19.596 27.642 1.00 0.00 H ATOM 493 H LEU A 232 -3.486 21.704 30.241 1.00 0.00 H ATOM 494 N ASP A 233 -3.662 20.981 33.111 1.00 22.57 N ATOM 495 CA ASP A 233 -3.177 20.451 34.352 1.00 22.00 C ATOM 496 C ASP A 233 -1.688 20.721 34.462 1.00 22.02 C ATOM 497 O ASP A 233 -0.883 20.090 33.775 1.00 19.75 O ATOM 498 CB ASP A 233 -3.470 18.911 34.437 1.00 22.93 C ATOM 499 CG ASP A 233 -3.025 18.307 35.745 1.00 24.04 C ATOM 500 OD1 ASP A 233 -2.300 18.963 36.515 1.00 21.12 O ATOM 501 OD2 ASP A 233 -3.335 17.144 36.147 1.00 26.28 O ATOM 502 HA ASP A 233 -3.690 20.938 35.182 1.00 0.00 H ATOM 503 HB2 ASP A 233 -4.543 18.753 34.326 1.00 0.00 H ATOM 504 HB3 ASP A 233 -2.944 18.410 33.624 1.00 0.00 H ATOM 505 H ASP A 233 -2.980 21.120 32.338 1.00 0.00 H ATOM 506 N ASP A 234 -1.323 21.688 35.308 1.00 22.44 N ATOM 507 CA ASP A 234 0.093 21.958 35.599 1.00 22.63 C ATOM 508 C ASP A 234 0.494 21.538 36.982 1.00 25.32 C ATOM 509 O ASP A 234 1.446 22.063 37.560 1.00 24.37 O ATOM 510 CB ASP A 234 0.396 23.426 35.436 1.00 21.72 C ATOM 511 CG ASP A 234 -0.502 24.324 36.276 1.00 24.81 C ATOM 512 OD1 ASP A 234 -1.463 23.823 36.951 1.00 21.41 O ATOM 513 OD2 ASP A 234 -0.330 25.597 36.275 1.00 22.13 O ATOM 514 HA ASP A 234 0.666 21.367 34.885 1.00 0.00 H ATOM 515 HB2 ASP A 234 1.431 23.600 35.729 1.00 0.00 H ATOM 516 HB3 ASP A 234 0.267 23.692 34.387 1.00 0.00 H ATOM 517 H ASP A 234 -2.056 22.262 35.771 1.00 0.00 H ATOM 518 N SER A 235 -0.195 20.548 37.524 1.00 26.24 N ATOM 519 CA SER A 235 0.138 20.130 38.871 1.00 28.99 C ATOM 520 C SER A 235 1.502 19.504 38.984 1.00 29.16 C ATOM 521 O SER A 235 2.064 19.496 40.054 1.00 31.05 O ATOM 522 CB SER A 235 -0.973 19.229 39.487 1.00 27.68 C ATOM 523 OG SER A 235 -1.143 18.012 38.746 1.00 32.07 O ATOM 524 HA SER A 235 0.186 21.043 39.464 1.00 0.00 H ATOM 525 HB2 SER A 235 -1.915 19.778 39.485 1.00 0.00 H ATOM 526 HB3 SER A 235 -0.700 18.983 40.513 1.00 0.00 H ATOM 527 HG SER A 235 -1.398 18.227 37.814 1.00 0.00 H ATOM 528 H SER A 235 -0.959 20.080 36.995 1.00 0.00 H ATOM 529 N ASP A 236 2.051 18.966 37.897 1.00 30.70 N ATOM 530 CA ASP A 236 3.438 18.508 37.850 1.00 30.95 C ATOM 531 C ASP A 236 4.414 19.591 37.301 1.00 32.39 C ATOM 532 O ASP A 236 4.064 20.280 36.369 1.00 31.75 O ATOM 533 CB ASP A 236 3.519 17.261 36.973 1.00 31.55 C ATOM 534 CG ASP A 236 4.869 16.602 37.031 1.00 33.98 C ATOM 535 OD1 ASP A 236 5.008 15.665 37.861 1.00 37.70 O ATOM 536 OD2 ASP A 236 5.840 16.925 36.322 1.00 34.03 O ATOM 537 HA ASP A 236 3.746 18.289 38.872 1.00 0.00 H ATOM 538 HB2 ASP A 236 2.767 16.547 37.309 1.00 0.00 H ATOM 539 HB3 ASP A 236 3.313 17.545 35.941 1.00 0.00 H ATOM 540 H ASP A 236 1.466 18.867 37.043 1.00 0.00 H ATOM 541 N ALA A 237 5.624 19.749 37.861 1.00 32.63 N ATOM 542 CA ALA A 237 6.490 20.877 37.453 1.00 32.40 C ATOM 543 C ALA A 237 7.113 20.821 36.041 1.00 31.68 C ATOM 544 O ALA A 237 7.330 21.872 35.397 1.00 31.87 O ATOM 545 CB ALA A 237 7.595 21.133 38.518 1.00 33.36 C ATOM 546 HA ALA A 237 5.793 21.713 37.392 1.00 0.00 H ATOM 547 HB1 ALA A 237 7.128 21.373 39.473 1.00 0.00 H ATOM 548 HB2 ALA A 237 8.208 20.238 38.626 1.00 0.00 H ATOM 549 HB3 ALA A 237 8.220 21.966 38.198 1.00 0.00 H ATOM 550 H ALA A 237 5.953 19.077 38.583 1.00 0.00 H ATOM 551 N ASN A 238 7.429 19.612 35.565 1.00 29.51 N ATOM 552 CA ASN A 238 8.154 19.453 34.317 1.00 27.84 C ATOM 553 C ASN A 238 7.273 19.025 33.156 1.00 23.89 C ATOM 554 O ASN A 238 7.614 19.326 32.048 1.00 24.10 O ATOM 555 CB ASN A 238 9.299 18.467 34.448 1.00 29.96 C ATOM 556 CG ASN A 238 10.448 19.015 35.277 1.00 33.46 C ATOM 557 OD1 ASN A 238 11.221 19.888 34.845 1.00 40.11 O ATOM 558 ND2 ASN A 238 10.560 18.505 36.478 1.00 39.79 N ATOM 559 HA ASN A 238 8.546 20.446 34.098 1.00 0.00 H ATOM 560 HB2 ASN A 238 8.926 17.560 34.923 1.00 0.00 H ATOM 561 HB3 ASN A 238 9.670 18.227 33.451 1.00 0.00 H ATOM 562 HD22 ASN A 238 9.891 17.776 36.798 1.00 0.00 H ATOM 563 HD21 ASN A 238 11.318 18.829 37.112 1.00 0.00 H ATOM 564 H ASN A 238 7.149 18.766 36.101 1.00 0.00 H ATOM 565 N TRP A 239 6.168 18.340 33.453 1.00 23.29 N ATOM 566 CA TRP A 239 5.238 17.793 32.433 1.00 20.85 C ATOM 567 C TRP A 239 3.805 18.247 32.662 1.00 19.55 C ATOM 568 O TRP A 239 3.180 17.935 33.644 1.00 20.96 O ATOM 569 CB TRP A 239 5.311 16.254 32.358 1.00 21.85 C ATOM 570 CG TRP A 239 6.624 15.764 31.752 1.00 23.11 C ATOM 571 CD1 TRP A 239 7.808 15.530 32.435 1.00 24.43 C ATOM 572 CD2 TRP A 239 6.911 15.521 30.370 1.00 23.08 C ATOM 573 NE1 TRP A 239 8.790 15.132 31.563 1.00 26.30 N ATOM 574 CE2 TRP A 239 8.270 15.084 30.293 1.00 23.34 C ATOM 575 CE3 TRP A 239 6.140 15.557 29.183 1.00 21.43 C ATOM 576 CZ2 TRP A 239 8.890 14.755 29.093 1.00 22.09 C ATOM 577 CZ3 TRP A 239 6.763 15.218 27.982 1.00 21.23 C ATOM 578 CH2 TRP A 239 8.122 14.822 27.946 1.00 25.20 C ATOM 579 HA TRP A 239 5.565 18.195 31.474 1.00 0.00 H ATOM 580 HB2 TRP A 239 5.217 15.849 33.366 1.00 0.00 H ATOM 581 HB3 TRP A 239 4.485 15.893 31.744 1.00 0.00 H ATOM 582 HE1 TRP A 239 9.771 14.903 31.822 1.00 0.00 H ATOM 583 HD1 TRP A 239 7.940 15.646 33.511 1.00 0.00 H ATOM 584 HZ2 TRP A 239 9.938 14.457 29.058 1.00 0.00 H ATOM 585 HH2 TRP A 239 8.574 14.563 26.989 1.00 0.00 H ATOM 586 HZ3 TRP A 239 6.193 15.259 27.054 1.00 0.00 H ATOM 587 HE3 TRP A 239 5.088 15.842 29.207 1.00 0.00 H ATOM 588 H TRP A 239 5.945 18.180 34.456 1.00 0.00 H ATOM 589 N TRP A 240 3.244 18.977 31.720 1.00 17.25 N ATOM 590 CA TRP A 240 1.912 19.518 31.870 1.00 16.30 C ATOM 591 C TRP A 240 0.955 18.876 30.895 1.00 15.70 C ATOM 592 O TRP A 240 1.364 18.514 29.809 1.00 15.07 O ATOM 593 CB TRP A 240 1.972 21.033 31.548 1.00 15.66 C ATOM 594 CG TRP A 240 2.685 21.826 32.665 1.00 17.27 C ATOM 595 CD1 TRP A 240 3.136 21.399 33.936 1.00 18.70 C ATOM 596 CD2 TRP A 240 2.988 23.219 32.597 1.00 17.49 C ATOM 597 NE1 TRP A 240 3.721 22.467 34.611 1.00 19.05 N ATOM 598 CE2 TRP A 240 3.623 23.591 33.830 1.00 19.28 C ATOM 599 CE3 TRP A 240 2.823 24.182 31.605 1.00 19.48 C ATOM 600 CZ2 TRP A 240 4.107 24.883 34.053 1.00 18.17 C ATOM 601 CZ3 TRP A 240 3.302 25.480 31.842 1.00 17.87 C ATOM 602 CH2 TRP A 240 3.895 25.817 33.043 1.00 17.70 C ATOM 603 HA TRP A 240 1.566 19.329 32.886 1.00 0.00 H ATOM 604 HB2 TRP A 240 2.514 21.175 30.613 1.00 0.00 H ATOM 605 HB3 TRP A 240 0.956 21.412 31.439 1.00 0.00 H ATOM 606 HE1 TRP A 240 4.160 22.421 35.553 1.00 0.00 H ATOM 607 HD1 TRP A 240 3.040 20.386 34.328 1.00 0.00 H ATOM 608 HZ2 TRP A 240 4.626 25.147 34.974 1.00 0.00 H ATOM 609 HH2 TRP A 240 4.207 26.849 33.205 1.00 0.00 H ATOM 610 HZ3 TRP A 240 3.204 26.236 31.063 1.00 0.00 H ATOM 611 HE3 TRP A 240 2.332 23.933 30.664 1.00 0.00 H ATOM 612 H TRP A 240 3.773 19.169 30.846 1.00 0.00 H ATOM 613 N GLN A 241 -0.302 18.726 31.290 1.00 14.95 N ATOM 614 CA GLN A 241 -1.303 18.272 30.330 1.00 15.85 C ATOM 615 C GLN A 241 -1.829 19.457 29.542 1.00 16.38 C ATOM 616 O GLN A 241 -2.193 20.473 30.147 1.00 17.42 O ATOM 617 CB GLN A 241 -2.475 17.610 31.054 1.00 15.33 C ATOM 618 CG GLN A 241 -3.668 17.291 30.150 1.00 16.85 C ATOM 619 CD GLN A 241 -3.503 16.020 29.306 1.00 17.39 C ATOM 620 OE1 GLN A 241 -2.461 15.356 29.355 1.00 20.70 O ATOM 621 NE2 GLN A 241 -4.552 15.663 28.553 1.00 20.03 N ATOM 622 HA GLN A 241 -0.835 17.551 29.660 1.00 0.00 H ATOM 623 HB2 GLN A 241 -2.122 16.679 31.497 1.00 0.00 H ATOM 624 HB3 GLN A 241 -2.813 18.281 31.844 1.00 0.00 H ATOM 625 HG2 GLN A 241 -4.550 17.171 30.779 1.00 0.00 H ATOM 626 HG3 GLN A 241 -3.818 18.132 29.474 1.00 0.00 H ATOM 627 HE22 GLN A 241 -5.409 16.252 28.542 1.00 0.00 H ATOM 628 HE21 GLN A 241 -4.509 14.797 27.979 1.00 0.00 H ATOM 629 H GLN A 241 -0.572 18.930 32.274 1.00 0.00 H ATOM 630 N GLY A 242 -1.825 19.360 28.223 1.00 15.62 N ATOM 631 CA GLY A 242 -2.424 20.435 27.431 1.00 16.54 C ATOM 632 C GLY A 242 -3.431 20.004 26.420 1.00 17.53 C ATOM 633 O GLY A 242 -3.625 18.825 26.206 1.00 16.77 O ATOM 634 HA3 GLY A 242 -1.621 20.953 26.906 1.00 0.00 H ATOM 635 HA2 GLY A 242 -2.912 21.126 28.118 1.00 0.00 H ATOM 636 H GLY A 242 -1.403 18.532 27.756 1.00 0.00 H ATOM 637 N GLU A 243 -3.945 20.982 25.682 1.00 17.46 N ATOM 638 CA GLU A 243 -4.906 20.754 24.599 1.00 18.27 C ATOM 639 C GLU A 243 -4.638 21.745 23.499 1.00 19.08 C ATOM 640 O GLU A 243 -4.345 22.898 23.794 1.00 18.32 O ATOM 641 CB GLU A 243 -6.331 20.963 25.141 1.00 20.22 C ATOM 642 CG GLU A 243 -7.376 20.690 24.101 1.00 23.04 C ATOM 643 CD GLU A 243 -8.790 20.717 24.666 1.00 30.72 C ATOM 644 OE1 GLU A 243 -9.120 21.601 25.486 1.00 30.31 O ATOM 645 OE2 GLU A 243 -9.558 19.850 24.264 1.00 34.17 O ATOM 646 HA GLU A 243 -4.807 19.739 24.214 1.00 0.00 H ATOM 647 HB2 GLU A 243 -6.489 20.290 25.984 1.00 0.00 H ATOM 648 HB3 GLU A 243 -6.431 21.995 25.478 1.00 0.00 H ATOM 649 HG2 GLU A 243 -7.298 21.447 23.321 1.00 0.00 H ATOM 650 HG3 GLU A 243 -7.191 19.706 23.671 1.00 0.00 H ATOM 651 H GLU A 243 -3.650 21.959 25.883 1.00 0.00 H ATOM 652 N ASN A 244 -4.678 21.279 22.247 1.00 16.91 N ATOM 653 CA ASN A 244 -4.652 22.153 21.073 1.00 18.17 C ATOM 654 C ASN A 244 -5.583 21.593 20.023 1.00 18.60 C ATOM 655 O ASN A 244 -6.416 20.708 20.323 1.00 20.40 O ATOM 656 CB ASN A 244 -3.219 22.310 20.488 1.00 16.85 C ATOM 657 CG ASN A 244 -2.546 20.981 20.190 1.00 17.91 C ATOM 658 OD1 ASN A 244 -3.217 19.980 19.980 1.00 16.21 O ATOM 659 ND2 ASN A 244 -1.193 20.984 20.116 1.00 16.53 N ATOM 660 HA ASN A 244 -4.981 23.146 21.381 1.00 0.00 H ATOM 661 HB2 ASN A 244 -3.283 22.882 19.562 1.00 0.00 H ATOM 662 HB3 ASN A 244 -2.608 22.854 21.208 1.00 0.00 H ATOM 663 HD22 ASN A 244 -0.664 21.860 20.303 1.00 0.00 H ATOM 664 HD21 ASN A 244 -0.684 20.111 19.872 1.00 0.00 H ATOM 665 H ASN A 244 -4.730 20.251 22.100 1.00 0.00 H ATOM 666 N HIS A 245 -5.365 22.007 18.782 1.00 20.48 N ATOM 667 CA HIS A 245 -6.243 21.574 17.692 1.00 23.23 C ATOM 668 C HIS A 245 -6.113 20.069 17.392 1.00 24.25 C ATOM 669 O HIS A 245 -7.033 19.482 16.771 1.00 25.86 O ATOM 670 CB HIS A 245 -6.086 22.456 16.443 1.00 21.99 C ATOM 671 CG HIS A 245 -4.675 22.532 15.909 1.00 22.70 C ATOM 672 ND1 HIS A 245 -3.655 23.134 16.606 1.00 20.64 N ATOM 673 CD2 HIS A 245 -4.106 22.002 14.797 1.00 22.86 C ATOM 674 CE1 HIS A 245 -2.525 23.025 15.924 1.00 21.66 C ATOM 675 NE2 HIS A 245 -2.776 22.355 14.813 1.00 21.34 N ATOM 676 HA HIS A 245 -7.268 21.715 18.036 1.00 0.00 H ATOM 677 HB2 HIS A 245 -6.727 22.054 15.658 1.00 0.00 H ATOM 678 HB3 HIS A 245 -6.411 23.466 16.695 1.00 0.00 H ATOM 679 HD2 HIS A 245 -4.608 21.408 14.034 1.00 0.00 H ATOM 680 HE1 HIS A 245 -1.555 23.420 16.227 1.00 0.00 H ATOM 681 H HIS A 245 -4.566 22.642 18.582 1.00 0.00 H ATOM 682 N ARG A 246 -4.978 19.463 17.796 1.00 23.25 N ATOM 683 CA ARG A 246 -4.638 18.064 17.496 1.00 23.18 C ATOM 684 C ARG A 246 -5.183 17.094 18.514 1.00 24.44 C ATOM 685 O ARG A 246 -5.220 15.877 18.248 1.00 27.07 O ATOM 686 CB ARG A 246 -3.104 17.835 17.426 1.00 22.61 C ATOM 687 CG ARG A 246 -2.429 18.578 16.289 1.00 22.56 C ATOM 688 CD ARG A 246 -0.958 18.151 16.028 1.00 19.62 C ATOM 689 NE ARG A 246 -0.404 19.093 15.083 1.00 19.31 N ATOM 690 CZ ARG A 246 -0.074 20.339 15.381 1.00 17.96 C ATOM 691 NH1 ARG A 246 -0.127 20.756 16.648 1.00 18.86 N ATOM 692 NH2 ARG A 246 0.353 21.155 14.416 1.00 21.87 N ATOM 693 HA ARG A 246 -5.098 17.877 16.526 1.00 0.00 H ATOM 694 HB2 ARG A 246 -2.663 18.168 18.365 1.00 0.00 H ATOM 695 HB3 ARG A 246 -2.920 16.768 17.298 1.00 0.00 H ATOM 696 HG2 ARG A 246 -3.002 18.402 15.379 1.00 0.00 H ATOM 697 HG3 ARG A 246 -2.439 19.642 16.523 1.00 0.00 H ATOM 698 HD2 ARG A 246 -0.929 17.143 15.613 1.00 0.00 H ATOM 699 HD3 ARG A 246 -0.390 18.176 16.958 1.00 0.00 H ATOM 700 HE ARG A 246 -0.255 18.771 14.105 1.00 0.00 H ATOM 701 HH12 ARG A 246 0.132 21.735 16.884 1.00 0.00 H ATOM 702 HH11 ARG A 246 -0.427 20.102 17.399 1.00 0.00 H ATOM 703 HH22 ARG A 246 0.614 22.136 14.642 1.00 0.00 H ATOM 704 HH21 ARG A 246 0.425 20.810 13.437 1.00 0.00 H ATOM 705 H ARG A 246 -4.301 20.020 18.355 1.00 0.00 H ATOM 706 N GLY A 247 -5.559 17.580 19.686 1.00 22.91 N ATOM 707 CA GLY A 247 -5.983 16.715 20.767 1.00 22.74 C ATOM 708 C GLY A 247 -5.380 17.163 22.084 1.00 21.73 C ATOM 709 O GLY A 247 -5.175 18.362 22.292 1.00 20.38 O ATOM 710 HA3 GLY A 247 -5.662 15.695 20.556 1.00 0.00 H ATOM 711 HA2 GLY A 247 -7.070 16.744 20.843 1.00 0.00 H ATOM 712 H GLY A 247 -5.550 18.609 19.834 1.00 0.00 H ATOM 713 N THR A 248 -5.157 16.208 22.974 1.00 20.79 N ATOM 714 CA THR A 248 -4.670 16.469 24.338 1.00 20.08 C ATOM 715 C THR A 248 -3.491 15.575 24.704 1.00 19.18 C ATOM 716 O THR A 248 -3.271 14.490 24.111 1.00 19.52 O ATOM 717 CB THR A 248 -5.798 16.338 25.425 1.00 20.12 C ATOM 718 OG1 THR A 248 -6.315 15.012 25.356 1.00 24.83 O ATOM 719 CG2 THR A 248 -7.023 17.260 25.153 1.00 19.78 C ATOM 720 HA THR A 248 -4.334 17.506 24.332 1.00 0.00 H ATOM 721 HB THR A 248 -5.347 16.605 26.381 1.00 0.00 H ATOM 722 HG1 THR A 248 -5.587 14.365 25.535 1.00 0.00 H ATOM 723 HG23 THR A 248 -6.707 18.302 25.189 1.00 0.00 H ATOM 724 HG21 THR A 248 -7.432 17.037 24.168 1.00 0.00 H ATOM 725 HG22 THR A 248 -7.785 17.084 25.913 1.00 0.00 H ATOM 726 H THR A 248 -5.335 15.222 22.694 1.00 0.00 H ATOM 727 N GLY A 249 -2.689 16.005 25.683 1.00 16.82 N ATOM 728 CA GLY A 249 -1.599 15.150 26.108 1.00 16.35 C ATOM 729 C GLY A 249 -0.558 15.891 26.903 1.00 15.62 C ATOM 730 O GLY A 249 -0.694 17.095 27.066 1.00 17.32 O ATOM 731 HA3 GLY A 249 -1.125 14.723 25.224 1.00 0.00 H ATOM 732 HA2 GLY A 249 -2.004 14.348 26.725 1.00 0.00 H ATOM 733 H GLY A 249 -2.844 16.932 26.129 1.00 0.00 H ATOM 734 N LEU A 250 0.484 15.182 27.337 1.00 14.00 N ATOM 735 CA LEU A 250 1.520 15.736 28.178 1.00 14.69 C ATOM 736 C LEU A 250 2.588 16.411 27.302 1.00 12.75 C ATOM 737 O LEU A 250 2.889 15.943 26.214 1.00 14.66 O ATOM 738 CB LEU A 250 2.212 14.639 28.970 1.00 15.90 C ATOM 739 CG LEU A 250 1.417 14.134 30.179 1.00 20.45 C ATOM 740 CD1 LEU A 250 1.945 12.815 30.679 1.00 27.11 C ATOM 741 CD2 LEU A 250 1.430 15.210 31.312 1.00 25.70 C ATOM 742 HA LEU A 250 1.055 16.452 28.856 1.00 0.00 H ATOM 743 HB2 LEU A 250 2.390 13.796 28.302 1.00 0.00 H ATOM 744 HB3 LEU A 250 3.167 15.026 29.327 1.00 0.00 H ATOM 745 HG LEU A 250 0.387 13.967 29.864 1.00 0.00 H ATOM 746 HD21 LEU A 250 2.459 15.405 31.614 1.00 0.00 H ATOM 747 HD22 LEU A 250 0.977 16.130 30.943 1.00 0.00 H ATOM 748 HD23 LEU A 250 0.863 14.842 32.167 1.00 0.00 H ATOM 749 HD11 LEU A 250 1.873 12.072 29.885 1.00 0.00 H ATOM 750 HD12 LEU A 250 2.987 12.931 30.976 1.00 0.00 H ATOM 751 HD13 LEU A 250 1.355 12.490 31.536 1.00 0.00 H ATOM 752 H LEU A 250 0.555 14.183 27.057 1.00 0.00 H ATOM 753 N PHE A 251 3.195 17.470 27.821 1.00 14.31 N ATOM 754 CA PHE A 251 4.276 18.152 27.124 1.00 13.18 C ATOM 755 C PHE A 251 5.230 18.762 28.157 1.00 14.50 C ATOM 756 O PHE A 251 4.811 19.025 29.269 1.00 13.31 O ATOM 757 CB PHE A 251 3.709 19.209 26.173 1.00 14.21 C ATOM 758 CG PHE A 251 3.043 20.363 26.886 1.00 13.12 C ATOM 759 CD1 PHE A 251 1.695 20.302 27.224 1.00 15.43 C ATOM 760 CD2 PHE A 251 3.789 21.482 27.273 1.00 14.12 C ATOM 761 CE1 PHE A 251 1.095 21.350 27.905 1.00 13.49 C ATOM 762 CE2 PHE A 251 3.196 22.504 27.943 1.00 12.20 C ATOM 763 CZ PHE A 251 1.833 22.480 28.264 1.00 15.00 C ATOM 764 HA PHE A 251 4.837 17.443 26.516 1.00 0.00 H ATOM 765 HB2 PHE A 251 4.525 19.602 25.567 1.00 0.00 H ATOM 766 HB3 PHE A 251 2.974 18.732 25.525 1.00 0.00 H ATOM 767 HD2 PHE A 251 4.852 21.534 27.036 1.00 0.00 H ATOM 768 HE2 PHE A 251 3.796 23.365 28.238 1.00 0.00 H ATOM 769 HZ PHE A 251 1.362 23.318 28.778 1.00 0.00 H ATOM 770 HE1 PHE A 251 0.037 21.291 28.163 1.00 0.00 H ATOM 771 HD1 PHE A 251 1.107 19.425 26.952 1.00 0.00 H ATOM 772 H PHE A 251 2.891 17.823 28.751 1.00 0.00 H ATOM 773 N PRO A 252 6.488 19.021 27.765 1.00 14.64 N ATOM 774 CA PRO A 252 7.477 19.624 28.701 1.00 16.03 C ATOM 775 C PRO A 252 7.123 21.105 29.005 1.00 16.37 C ATOM 776 O PRO A 252 7.021 21.896 28.080 1.00 15.83 O ATOM 777 CB PRO A 252 8.800 19.553 27.949 1.00 18.86 C ATOM 778 CG PRO A 252 8.524 18.492 26.838 1.00 17.56 C ATOM 779 CD PRO A 252 7.060 18.732 26.447 1.00 15.99 C ATOM 780 HA PRO A 252 7.501 19.105 29.659 1.00 0.00 H ATOM 781 HD3 PRO A 252 6.956 19.577 25.767 1.00 0.00 H ATOM 782 HD2 PRO A 252 6.611 17.847 25.996 1.00 0.00 H ATOM 783 HG3 PRO A 252 8.661 17.482 27.224 1.00 0.00 H ATOM 784 HG2 PRO A 252 9.183 18.645 25.984 1.00 0.00 H ATOM 785 HB2 PRO A 252 9.054 20.519 27.513 1.00 0.00 H ATOM 786 HB3 PRO A 252 9.607 19.230 28.607 1.00 0.00 H ATOM 787 N SER A 253 6.952 21.420 30.271 1.00 17.33 N ATOM 788 CA SER A 253 6.658 22.797 30.718 1.00 17.69 C ATOM 789 C SER A 253 7.667 23.820 30.172 1.00 18.92 C ATOM 790 O SER A 253 7.269 24.969 29.906 1.00 19.22 O ATOM 791 CB SER A 253 6.578 22.862 32.244 1.00 19.80 C ATOM 792 OG SER A 253 7.862 22.626 32.814 1.00 19.89 O ATOM 793 HA SER A 253 5.686 23.068 30.307 1.00 0.00 H ATOM 794 HB2 SER A 253 5.880 22.104 32.601 1.00 0.00 H ATOM 795 HB3 SER A 253 6.226 23.849 32.545 1.00 0.00 H ATOM 796 HG SER A 253 7.797 22.671 33.801 1.00 0.00 H ATOM 797 H SER A 253 7.027 20.669 30.986 1.00 0.00 H ATOM 798 N ASN A 254 8.932 23.431 29.953 1.00 18.08 N ATOM 799 CA ASN A 254 9.925 24.418 29.450 1.00 19.82 C ATOM 800 C ASN A 254 9.903 24.691 27.963 1.00 18.92 C ATOM 801 O ASN A 254 10.766 25.429 27.448 1.00 19.93 O ATOM 802 CB ASN A 254 11.366 24.147 29.914 1.00 20.93 C ATOM 803 CG ASN A 254 11.932 22.835 29.410 1.00 24.48 C ATOM 804 OD1 ASN A 254 11.262 22.040 28.777 1.00 26.17 O ATOM 805 ND2 ASN A 254 13.205 22.581 29.765 1.00 31.50 N ATOM 806 HA ASN A 254 9.571 25.332 29.927 1.00 0.00 H ATOM 807 HB2 ASN A 254 12.001 24.957 29.555 1.00 0.00 H ATOM 808 HB3 ASN A 254 11.380 24.132 31.004 1.00 0.00 H ATOM 809 HD22 ASN A 254 13.745 23.286 30.306 1.00 0.00 H ATOM 810 HD21 ASN A 254 13.649 21.679 29.498 1.00 0.00 H ATOM 811 H ASN A 254 9.216 22.447 30.133 1.00 0.00 H ATOM 812 N PHE A 255 8.913 24.109 27.258 1.00 16.09 N ATOM 813 CA PHE A 255 8.773 24.320 25.841 1.00 15.61 C ATOM 814 C PHE A 255 7.799 25.432 25.502 1.00 13.85 C ATOM 815 O PHE A 255 7.558 25.676 24.331 1.00 16.64 O ATOM 816 CB PHE A 255 8.288 23.055 25.124 1.00 15.28 C ATOM 817 CG PHE A 255 9.417 22.127 24.637 1.00 17.31 C ATOM 818 CD1 PHE A 255 9.418 21.651 23.307 1.00 15.91 C ATOM 819 CD2 PHE A 255 10.406 21.673 25.523 1.00 20.41 C ATOM 820 CE1 PHE A 255 10.385 20.764 22.874 1.00 19.78 C ATOM 821 CE2 PHE A 255 11.393 20.802 25.080 1.00 19.80 C ATOM 822 CZ PHE A 255 11.367 20.352 23.727 1.00 21.84 C ATOM 823 HA PHE A 255 9.771 24.597 25.501 1.00 0.00 H ATOM 824 HB2 PHE A 255 7.658 22.493 25.813 1.00 0.00 H ATOM 825 HB3 PHE A 255 7.698 23.358 24.259 1.00 0.00 H ATOM 826 HD2 PHE A 255 10.400 22.005 26.561 1.00 0.00 H ATOM 827 HE2 PHE A 255 12.178 20.467 25.758 1.00 0.00 H ATOM 828 HZ PHE A 255 12.140 19.671 23.370 1.00 0.00 H ATOM 829 HE1 PHE A 255 10.363 20.393 21.849 1.00 0.00 H ATOM 830 HD1 PHE A 255 8.647 21.987 22.614 1.00 0.00 H ATOM 831 H PHE A 255 8.234 23.493 27.749 1.00 0.00 H ATOM 832 N VAL A 256 7.249 26.062 26.514 1.00 13.84 N ATOM 833 CA VAL A 256 6.186 27.070 26.297 1.00 13.72 C ATOM 834 C VAL A 256 6.480 28.354 27.067 1.00 13.05 C ATOM 835 O VAL A 256 7.339 28.370 27.940 1.00 14.87 O ATOM 836 CB VAL A 256 4.767 26.550 26.657 1.00 12.81 C ATOM 837 CG1 VAL A 256 4.445 25.229 25.880 1.00 14.63 C ATOM 838 CG2 VAL A 256 4.665 26.251 28.149 1.00 12.45 C ATOM 839 HA VAL A 256 6.190 27.281 25.228 1.00 0.00 H ATOM 840 HB VAL A 256 4.058 27.330 26.380 1.00 0.00 H ATOM 841 HG11 VAL A 256 4.488 25.420 24.808 1.00 0.00 H ATOM 842 HG12 VAL A 256 5.177 24.466 26.144 1.00 0.00 H ATOM 843 HG13 VAL A 256 3.446 24.885 26.149 1.00 0.00 H ATOM 844 HG21 VAL A 256 5.398 25.490 28.417 1.00 0.00 H ATOM 845 HG22 VAL A 256 4.861 27.162 28.715 1.00 0.00 H ATOM 846 HG23 VAL A 256 3.663 25.888 28.378 1.00 0.00 H ATOM 847 H VAL A 256 7.564 25.850 27.482 1.00 0.00 H ATOM 848 N THR A 257 5.756 29.389 26.695 1.00 14.87 N ATOM 849 CA THR A 257 5.805 30.678 27.411 1.00 16.14 C ATOM 850 C THR A 257 4.411 31.268 27.578 1.00 16.26 C ATOM 851 O THR A 257 3.515 30.986 26.771 1.00 16.17 O ATOM 852 CB THR A 257 6.715 31.660 26.591 1.00 18.02 C ATOM 853 OG1 THR A 257 6.651 32.934 27.217 1.00 20.20 O ATOM 854 CG2 THR A 257 6.101 31.902 25.221 1.00 18.99 C ATOM 855 HA THR A 257 6.215 30.523 28.409 1.00 0.00 H ATOM 856 HB THR A 257 7.719 31.240 26.531 1.00 0.00 H ATOM 857 HG1 THR A 257 7.218 33.574 26.718 1.00 0.00 H ATOM 858 HG23 THR A 257 6.103 30.971 24.654 1.00 0.00 H ATOM 859 HG21 THR A 257 5.076 32.254 25.341 1.00 0.00 H ATOM 860 HG22 THR A 257 6.685 32.654 24.690 1.00 0.00 H ATOM 861 H THR A 257 5.130 29.295 25.870 1.00 0.00 H ATOM 862 N THR A 258 4.207 32.045 28.654 1.00 19.35 N ATOM 863 CA THR A 258 2.895 32.672 28.899 1.00 22.83 C ATOM 864 C THR A 258 2.655 33.913 28.037 1.00 26.83 C ATOM 865 O THR A 258 1.512 34.451 27.995 1.00 28.31 O ATOM 866 CB THR A 258 2.693 33.033 30.384 1.00 22.39 C ATOM 867 OG1 THR A 258 3.849 33.686 30.854 1.00 20.10 O ATOM 868 CG2 THR A 258 2.607 31.710 31.275 1.00 23.15 C ATOM 869 HA THR A 258 2.162 31.917 28.614 1.00 0.00 H ATOM 870 HB THR A 258 1.788 33.636 30.456 1.00 0.00 H ATOM 871 HG1 THR A 258 3.729 33.922 31.808 1.00 0.00 H ATOM 872 HG23 THR A 258 1.732 31.131 30.980 1.00 0.00 H ATOM 873 HG21 THR A 258 3.506 31.113 31.124 1.00 0.00 H ATOM 874 HG22 THR A 258 2.525 31.986 32.326 1.00 0.00 H ATOM 875 H THR A 258 4.986 32.207 29.324 1.00 0.00 H ATOM 876 N ASP A 259 3.696 34.374 27.357 1.00 29.91 N ATOM 877 CA ASP A 259 3.533 35.518 26.452 1.00 33.65 C ATOM 878 C ASP A 259 2.876 35.066 25.163 1.00 34.73 C ATOM 879 O ASP A 259 3.468 34.280 24.402 1.00 33.99 O ATOM 880 CB ASP A 259 4.875 36.148 26.153 1.00 35.30 C ATOM 881 CG ASP A 259 5.799 36.178 27.368 1.00 39.70 C ATOM 882 OD1 ASP A 259 5.395 36.695 28.448 1.00 44.87 O ATOM 883 OD2 ASP A 259 6.970 35.731 27.331 1.00 44.33 O ATOM 884 HA ASP A 259 2.899 36.260 26.937 1.00 0.00 H ATOM 885 HB2 ASP A 259 5.359 35.577 25.361 1.00 0.00 H ATOM 886 HB3 ASP A 259 4.712 37.171 25.814 1.00 0.00 H ATOM 887 H ASP A 259 4.628 33.925 27.465 1.00 0.00 H ATOM 888 N LEU A 260 1.657 35.532 24.904 1.00 35.34 N ATOM 889 CA LEU A 260 0.956 35.032 23.718 1.00 37.15 C ATOM 890 C LEU A 260 1.238 35.896 22.480 1.00 38.18 C ATOM 891 O LEU A 260 0.755 35.567 21.367 1.00 38.38 O ATOM 892 CB LEU A 260 -0.534 34.899 23.990 1.00 36.86 C ATOM 893 CG LEU A 260 -0.912 34.145 25.270 1.00 37.81 C ATOM 894 CD1 LEU A 260 -2.416 33.992 25.297 1.00 35.65 C ATOM 895 CD2 LEU A 260 -0.178 32.783 25.378 1.00 35.29 C ATOM 896 HA LEU A 260 1.343 34.038 23.496 1.00 0.00 H ATOM 897 HB2 LEU A 260 -0.953 35.903 24.056 1.00 0.00 H ATOM 898 HB3 LEU A 260 -0.983 34.374 23.147 1.00 0.00 H ATOM 899 HG LEU A 260 -0.591 34.714 26.143 1.00 0.00 H ATOM 900 HD21 LEU A 260 -0.443 32.160 24.524 1.00 0.00 H ATOM 901 HD22 LEU A 260 0.899 32.952 25.386 1.00 0.00 H ATOM 902 HD23 LEU A 260 -0.476 32.283 26.300 1.00 0.00 H ATOM 903 HD11 LEU A 260 -2.880 34.978 25.290 1.00 0.00 H ATOM 904 HD12 LEU A 260 -2.739 33.431 24.420 1.00 0.00 H ATOM 905 HD13 LEU A 260 -2.709 33.457 26.200 1.00 0.00 H ATOM 906 H LEU A 260 1.212 36.235 25.528 1.00 0.00 H TER 907 LEU A 260 HETATM 908 O HOH 1 -0.336 23.628 19.850 1.00 19.29 O HETATM 909 O HOH 2 7.529 27.533 30.672 1.00 21.23 O HETATM 910 O HOH 3 1.036 18.085 35.192 1.00 24.50 O HETATM 911 O HOH 4 2.975 28.940 32.575 1.00 23.15 O HETATM 912 O HOH 5 10.089 16.781 18.674 1.00 28.19 O HETATM 913 O HOH 6 5.430 29.275 31.319 1.00 26.97 O HETATM 914 O HOH 7 10.067 14.093 19.733 1.00 27.27 O HETATM 915 O HOH 8 6.158 18.501 16.235 1.00 28.15 O HETATM 916 O HOH 9 -0.654 15.811 35.700 1.00 28.67 O HETATM 917 O HOH 10 11.470 18.924 19.728 1.00 27.89 O HETATM 918 O HOH 11 -2.643 26.959 18.088 1.00 29.67 O HETATM 919 O HOH 12 6.919 24.486 12.926 1.00 27.47 O HETATM 920 O HOH 13 9.293 30.191 28.775 1.00 26.28 O HETATM 921 O HOH 14 11.948 29.822 20.431 1.00 29.04 O HETATM 922 O HOH 15 12.293 19.639 28.603 1.00 28.09 O HETATM 923 O HOH 16 -3.773 33.729 18.755 1.00 27.51 O HETATM 924 O HOH 17 5.127 26.614 13.231 1.00 28.55 O HETATM 925 O HOH 18 -4.727 32.269 29.439 1.00 32.55 O HETATM 926 O HOH 19 -5.363 12.679 27.275 1.00 32.66 O HETATM 927 O HOH 20 -1.861 12.521 22.569 1.00 30.41 O HETATM 928 O HOH 21 10.017 20.917 31.423 1.00 31.12 O HETATM 929 O HOH 22 12.209 27.010 17.847 1.00 33.01 O HETATM 930 O HOH 23 -1.554 12.326 28.796 1.00 31.84 O HETATM 931 O HOH 24 12.717 27.146 27.647 1.00 35.17 O HETATM 932 O HOH 25 1.643 6.744 26.980 1.00 35.39 O HETATM 933 O HOH 26 2.204 13.294 16.351 1.00 36.64 O HETATM 934 O HOH 27 -0.905 15.094 19.706 1.00 38.36 O HETATM 935 O HOH 28 -0.772 30.903 31.367 1.00 33.68 O HETATM 936 O HOH 29 -3.573 8.837 27.407 1.00 37.60 O HETATM 937 O HOH 30 -8.763 19.127 20.429 1.00 35.30 O HETATM 938 O HOH 31 -3.033 14.069 20.902 1.00 36.92 O HETATM 939 O HOH 32 -5.824 25.708 22.686 1.00 42.27 O HETATM 940 O HOH 33 -10.646 21.140 27.572 1.00 38.84 O HETATM 941 O HOH 34 -9.142 19.646 15.243 1.00 37.08 O HETATM 942 O HOH 35 6.901 28.545 12.403 1.00 39.77 O HETATM 943 O HOH 36 4.008 16.329 13.436 1.00 39.91 O HETATM 944 O HOH 37 -8.632 17.167 15.982 1.00 39.17 O HETATM 945 O HOH 38 9.313 6.371 24.972 1.00 51.88 O HETATM 946 O HOH 39 10.010 33.774 26.155 1.00 47.55 O HETATM 947 O HOH 40 -1.745 36.390 21.428 1.00 47.59 O HETATM 948 O HOH 41 0.274 14.874 14.704 1.00 42.93 O HETATM 949 O HOH 42 5.263 33.609 22.195 1.00 38.77 O HETATM 950 O HOH 43 6.519 31.358 19.789 1.00 45.26 O HETATM 951 O HOH 44 -13.364 25.221 25.406 1.00 44.12 O HETATM 952 O HOH 45 -4.213 28.000 35.160 1.00 56.21 O HETATM 953 O HOH 46 13.226 31.207 22.313 1.00 41.29 O HETATM 954 O HOH 47 -2.622 11.861 24.230 1.00 40.10 O HETATM 955 O HOH 48 8.487 15.932 13.973 1.00 44.03 O HETATM 956 O HOH 49 10.325 33.830 28.836 1.00 45.86 O HETATM 957 O HOH 50 3.872 11.213 16.835 1.00 42.62 O HETATM 958 O HOH 51 -15.760 22.370 23.821 1.00 42.21 O HETATM 959 O HOH 52 -8.231 24.601 22.373 1.00 44.31 O HETATM 960 O HOH 53 -5.894 30.083 35.323 1.00 68.96 O HETATM 961 O HOH 54 -5.003 26.903 18.702 1.00 53.71 O HETATM 962 O HOH 55 10.007 3.138 25.592 1.00 43.15 O HETATM 963 O HOH 56 10.457 30.573 11.940 1.00 48.42 O HETATM 964 O HOH 57 0.259 11.521 20.739 1.00 34.66 O HETATM 965 O HOH 58 11.269 14.651 22.245 1.00 22.07 O HETATM 966 O HOH 59 14.451 18.182 22.942 1.00 25.07 O HETATM 967 O HOH 60 11.878 17.258 22.101 1.00 25.89 O HETATM 968 O HOH 61 11.893 17.217 30.260 1.00 35.62 O HETATM 969 O HOH 62 12.210 22.529 17.737 1.00 40.00 O HETATM 970 O HOH 63 15.546 21.042 29.299 1.00 36.67 O HETATM 971 O HOH 64 8.632 15.563 36.679 1.00 42.98 O HETATM 972 N THR A 65 16.382 23.926 20.784 1.00 0.24 N HETATM 973 CA THR A 65 15.374 23.089 21.491 1.00 0.09 C HETATM 974 CB THR A 65 15.016 21.905 20.620 1.00 0.11 C HETATM 975 CG2 THR A 65 13.824 21.203 21.162 1.00 -0.03 C HETATM 976 H7 THR A 65 13.578 20.346 20.517 1.00 0.03 H HETATM 977 H8 THR A 65 12.971 21.897 21.190 1.00 0.03 H HETATM 978 H9 THR A 65 14.040 20.846 22.180 1.00 0.03 H HETATM 979 OG1 THR A 65 14.586 22.379 19.328 1.00 -0.38 O HETATM 980 H6 THR A 65 13.845 22.963 19.437 1.00 0.21 H HETATM 981 H5 THR A 65 15.875 21.223 20.534 1.00 0.07 H HETATM 982 C THR A 65 15.937 22.608 22.827 1.00 0.23 C HETATM 983 O THR A 65 17.057 22.077 22.871 1.00 -0.39 O HETATM 984 N THR A 65 15.177 22.768 23.909 1.00 -0.25 N HETATM 985 CA THR A 65 15.601 22.305 25.228 1.00 0.13 C HETATM 986 C THR A 65 15.639 20.779 25.229 1.00 0.20 C HETATM 987 O THR A 65 14.858 20.131 24.523 1.00 -0.39 O HETATM 988 N THR A 65 16.537 20.203 26.004 1.00 -0.26 N HETATM 989 CA THR A 65 16.553 18.773 26.142 1.00 0.13 C HETATM 990 CB THR A 65 17.851 18.312 26.813 1.00 -0.00 C HETATM 991 CG THR A 65 17.933 16.845 26.758 1.00 -0.00 C HETATM 992 SD THR A 65 18.419 16.305 25.085 1.00 -0.16 S HETATM 993 CE THR A 65 19.611 17.287 24.834 1.00 -0.02 C HETATM 994 H23 THR A 65 20.039 17.097 23.838 1.00 0.03 H HETATM 995 H24 THR A 65 20.384 17.130 25.601 1.00 0.03 H HETATM 996 H25 THR A 65 19.249 18.324 24.886 1.00 0.03 H HETATM 997 H21 THR A 65 16.951 16.416 27.007 1.00 0.04 H HETATM 998 H22 THR A 65 18.681 16.495 27.485 1.00 0.04 H HETATM 999 H19 THR A 65 17.859 18.641 27.863 1.00 0.03 H HETATM 1000 H20 THR A 65 18.712 18.748 26.285 1.00 0.03 H HETATM 1001 C THR A 65 15.326 18.226 26.900 1.00 0.20 C HETATM 1002 O THR A 65 14.824 18.861 27.862 1.00 -0.39 O HETATM 1003 N THR A 65 14.814 17.087 26.445 1.00 -0.26 N HETATM 1004 CA THR A 65 13.647 16.483 27.067 1.00 0.13 C HETATM 1005 CB THR A 65 12.565 16.134 26.024 1.00 -0.01 C HETATM 1006 CG2 THR A 65 12.048 17.418 25.397 1.00 -0.06 C HETATM 1007 H32 THR A 65 12.890 17.983 24.971 1.00 0.02 H HETATM 1008 H33 THR A 65 11.550 18.027 26.166 1.00 0.02 H HETATM 1009 H34 THR A 65 11.330 17.174 24.600 1.00 0.02 H HETATM 1010 CG1 THR A 65 11.403 15.321 26.630 1.00 -0.06 C HETATM 1011 H29 THR A 65 10.663 15.100 25.847 1.00 0.02 H HETATM 1012 H30 THR A 65 10.926 15.905 27.431 1.00 0.02 H HETATM 1013 H31 THR A 65 11.791 14.379 27.044 1.00 0.02 H HETATM 1014 H28 THR A 65 13.031 15.523 25.237 1.00 0.03 H HETATM 1015 C THR A 65 14.106 15.272 27.825 1.00 0.20 C HETATM 1016 O THR A 65 15.010 14.567 27.359 1.00 -0.39 O HETATM 1017 N THR A 65 13.514 15.071 29.001 1.00 -0.26 N HETATM 1018 CA THR A 65 13.757 13.919 29.846 1.00 0.15 C HETATM 1019 CB THR A 65 14.525 14.321 31.117 1.00 0.08 C HETATM 1020 CG THR A 65 14.985 13.094 31.934 1.00 0.18 C HETATM 1021 ND2 THR A 65 16.302 12.974 32.144 1.00 -0.30 N HETATM 1022 H39 THR A 65 16.656 12.199 32.667 1.00 0.18 H HETATM 1023 H40 THR A 65 16.931 13.660 31.778 1.00 0.18 H HETATM 1024 OD1 THR A 65 14.167 12.255 32.341 1.00 -0.40 O HETATM 1025 H37 THR A 65 13.869 14.940 31.747 1.00 0.06 H HETATM 1026 H38 THR A 65 15.411 14.905 30.826 1.00 0.06 H HETATM 1027 C THR A 65 12.462 13.203 30.219 1.00 0.21 C HETATM 1028 O THR A 65 11.655 13.718 31.000 1.00 -0.39 O HETATM 1029 N THR A 65 12.259 12.006 29.673 1.00 -0.26 N HETATM 1030 CA THR A 65 10.989 11.291 29.866 1.00 0.13 C HETATM 1031 CB THR A 65 10.635 10.482 28.641 1.00 -0.01 C HETATM 1032 CG THR A 65 10.168 11.343 27.510 1.00 -0.02 C HETATM 1033 CD THR A 65 9.832 10.569 26.267 1.00 0.06 C HETATM 1034 NE THR A 65 9.155 11.488 25.349 1.00 -0.27 N HETATM 1035 CZ THR A 65 9.738 12.331 24.521 1.00 0.29 C HETATM 1036 NH2 THR A 65 8.963 13.098 23.800 1.00 -0.28 N HETATM 1037 H52 THR A 65 7.939 13.016 23.880 1.00 0.26 H HETATM 1038 H53 THR A 65 9.376 13.784 23.152 1.00 0.26 H HETATM 1039 NH1 THR A 65 11.090 12.445 24.410 1.00 -0.28 N HETATM 1040 H50 THR A 65 11.497 13.120 23.747 1.00 0.26 H HETATM 1041 H51 THR A 65 11.706 11.856 24.989 1.00 0.26 H HETATM 1042 H49 THR A 65 8.125 11.474 25.351 1.00 0.26 H HETATM 1043 H47 THR A 65 9.168 9.728 26.515 1.00 0.07 H HETATM 1044 H48 THR A 65 10.752 10.184 25.803 1.00 0.07 H HETATM 1045 H45 THR A 65 10.964 12.062 27.268 1.00 0.03 H HETATM 1046 H46 THR A 65 9.269 11.887 27.835 1.00 0.03 H HETATM 1047 H43 THR A 65 9.834 9.775 28.903 1.00 0.03 H HETATM 1048 H44 THR A 65 11.525 9.923 28.316 1.00 0.03 H HETATM 1049 C THR A 65 11.022 10.384 31.080 1.00 0.20 C HETATM 1050 O THR A 65 9.980 9.911 31.559 1.00 -0.39 O HETATM 1051 N THR A 65 12.227 10.171 31.588 1.00 -0.26 N HETATM 1052 CA THR A 65 12.376 9.331 32.761 1.00 0.13 C HETATM 1053 CB THR A 65 13.853 9.194 33.136 1.00 -0.00 C HETATM 1054 CG THR A 65 14.133 8.405 34.409 1.00 0.00 C HETATM 1055 CD THR A 65 15.422 7.618 34.311 1.00 0.04 C HETATM 1056 OE2 THR A 65 15.911 7.389 33.177 1.00 -0.57 O HETATM 1057 OE1 THR A 65 15.957 7.215 35.370 1.00 -0.57 O HETATM 1058 H58 THR A 65 13.302 7.706 34.585 1.00 0.04 H HETATM 1059 H59 THR A 65 14.207 9.106 35.253 1.00 0.04 H HETATM 1060 H56 THR A 65 14.265 10.205 33.266 1.00 0.03 H HETATM 1061 H57 THR A 65 14.369 8.691 32.305 1.00 0.03 H HETATM 1062 C THR A 65 11.496 9.868 33.898 1.00 0.20 C HETATM 1063 O THR A 65 11.046 9.102 34.730 1.00 -0.39 O HETATM 1064 N THR A 65 11.167 11.166 33.865 1.00 -0.26 N HETATM 1065 CA THR A 65 10.398 11.815 34.950 1.00 0.15 C HETATM 1066 CB THR A 65 11.207 13.000 35.495 1.00 0.08 C HETATM 1067 CG THR A 65 10.868 14.315 34.807 1.00 0.18 C HETATM 1068 ND2 THR A 65 10.380 15.258 35.588 1.00 -0.30 N HETATM 1069 H64 THR A 65 10.135 16.148 35.204 1.00 0.18 H HETATM 1070 H65 THR A 65 10.255 15.083 36.565 1.00 0.18 H HETATM 1071 OD1 THR A 65 11.038 14.477 33.598 1.00 -0.40 O HETATM 1072 H62 THR A 65 12.277 12.792 35.347 1.00 0.06 H HETATM 1073 H63 THR A 65 10.998 13.102 36.570 1.00 0.06 H HETATM 1074 C THR A 65 8.922 12.246 34.710 1.00 0.21 C HETATM 1075 O THR A 65 8.326 12.966 35.540 1.00 -0.39 O HETATM 1076 N THR A 65 8.327 11.777 33.618 1.00 -0.26 N HETATM 1077 CA THR A 65 6.986 12.183 33.208 1.00 0.14 C HETATM 1078 CB THR A 65 6.562 11.380 31.992 1.00 -0.01 C HETATM 1079 CG THR A 65 7.238 11.840 30.755 1.00 -0.04 C HETATM 1080 CD THR A 65 6.801 11.057 29.566 1.00 -0.01 C HETATM 1081 CE THR A 65 5.292 11.049 29.332 1.00 -0.04 C HETATM 1082 NZ THR A 65 5.166 10.314 28.069 1.00 0.22 N HETATM 1083 H76 THR A 65 4.193 10.248 27.814 1.00 0.20 H HETATM 1084 H77 THR A 65 5.548 9.388 28.180 1.00 0.20 H HETATM 1085 H78 THR A 65 5.670 10.801 27.345 1.00 0.20 H HETATM 1086 H74 THR A 65 4.900 12.072 29.236 1.00 0.08 H HETATM 1087 H75 THR A 65 4.767 10.530 30.147 1.00 0.08 H HETATM 1088 H72 THR A 65 7.133 10.017 29.699 1.00 0.03 H HETATM 1089 H73 THR A 65 7.284 11.486 28.676 1.00 0.03 H HETATM 1090 H70 THR A 65 8.325 11.724 30.878 1.00 0.03 H HETATM 1091 H71 THR A 65 6.998 12.901 30.591 1.00 0.03 H HETATM 1092 H68 THR A 65 5.475 11.483 31.861 1.00 0.03 H HETATM 1093 H69 THR A 65 6.813 10.322 32.161 1.00 0.03 H HETATM 1094 C THR A 65 5.885 12.084 34.266 1.00 0.26 C HETATM 1095 O THR A 65 5.780 11.073 34.955 1.00 -0.37 O HETATM 1096 O1 THR A 65 5.039 13.096 34.440 1.00 -0.29 O HETATM 1097 H79 THR A 65 4.152 12.797 34.278 1.00 0.25 H HETATM 1098 H67 THR A 65 7.053 13.241 32.916 1.00 0.08 H HETATM 1099 H66 THR A 65 8.820 11.116 33.052 1.00 0.19 H HETATM 1100 H61 THR A 65 10.346 11.064 35.752 1.00 0.08 H HETATM 1101 H60 THR A 65 11.451 11.716 33.080 1.00 0.19 H HETATM 1102 H55 THR A 65 12.009 8.325 32.509 1.00 0.08 H HETATM 1103 H54 THR A 65 13.031 10.588 31.164 1.00 0.19 H HETATM 1104 H42 THR A 65 10.201 12.042 30.023 1.00 0.08 H HETATM 1105 H41 THR A 65 12.981 11.587 29.123 1.00 0.19 H HETATM 1106 H36 THR A 65 14.382 13.213 29.279 1.00 0.08 H HETATM 1107 H35 THR A 65 12.861 15.758 29.321 1.00 0.19 H HETATM 1108 H27 THR A 65 13.213 17.201 27.779 1.00 0.08 H HETATM 1109 H26 THR A 65 15.240 16.637 25.660 1.00 0.19 H HETATM 1110 H18 THR A 65 16.528 18.346 25.129 1.00 0.08 H HETATM 1111 H17 THR A 65 17.206 20.761 26.495 1.00 0.19 H HETATM 1112 CB THR A 65 14.467 22.787 26.147 1.00 -0.01 C HETATM 1113 CG THR A 65 13.813 23.830 25.403 1.00 -0.03 C HETATM 1114 CD THR A 65 13.828 23.369 23.963 1.00 0.04 C HETATM 1115 H15 THR A 65 13.041 22.627 23.762 1.00 0.05 H HETATM 1116 H16 THR A 65 13.726 24.211 23.262 1.00 0.05 H HETATM 1117 H13 THR A 65 12.779 23.962 25.754 1.00 0.03 H HETATM 1118 H14 THR A 65 14.360 24.779 25.509 1.00 0.03 H HETATM 1119 H11 THR A 65 14.873 23.180 27.091 1.00 0.03 H HETATM 1120 H12 THR A 65 13.767 21.966 26.362 1.00 0.03 H HETATM 1121 H10 THR A 65 16.576 22.722 25.521 1.00 0.08 H HETATM 1122 H4 THR A 65 14.471 23.689 21.677 1.00 0.11 H HETATM 1123 H1 THR A 65 16.002 24.238 19.904 1.00 0.20 H HETATM 1124 H2 THR A 65 17.213 23.381 20.616 1.00 0.20 H HETATM 1125 H3 THR A 65 16.613 24.725 21.353 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 972 973 1123 1124 1125 CONECT 973 972 974 982 1122 CONECT 974 973 975 979 981 CONECT 975 974 976 977 978 CONECT 976 975 CONECT 977 975 CONECT 978 975 CONECT 979 974 980 CONECT 980 979 CONECT 981 974 CONECT 982 973 983 984 CONECT 983 982 CONECT 984 982 985 1114 CONECT 985 984 986 1112 1121 CONECT 986 985 987 988 CONECT 987 986 CONECT 988 986 989 1111 CONECT 989 988 990 1001 1110 CONECT 990 989 991 999 1000 CONECT 991 990 992 997 998 CONECT 992 991 993 CONECT 993 992 994 995 996 CONECT 994 993 CONECT 995 993 CONECT 996 993 CONECT 997 991 CONECT 998 991 CONECT 999 990 CONECT 1000 990 CONECT 1001 989 1002 1003 CONECT 1002 1001 CONECT 1003 1001 1004 1109 CONECT 1004 1003 1005 1015 1108 CONECT 1005 1004 1006 1010 1014 CONECT 1006 1005 1007 1008 1009 CONECT 1007 1006 CONECT 1008 1006 CONECT 1009 1006 CONECT 1010 1005 1011 1012 1013 CONECT 1011 1010 CONECT 1012 1010 CONECT 1013 1010 CONECT 1014 1005 CONECT 1015 1004 1016 1017 CONECT 1016 1015 CONECT 1017 1015 1018 1107 CONECT 1018 1017 1019 1027 1106 CONECT 1019 1018 1020 1025 1026 CONECT 1020 1019 1021 1024 CONECT 1021 1020 1022 1023 CONECT 1022 1021 CONECT 1023 1021 CONECT 1024 1020 CONECT 1025 1019 CONECT 1026 1019 CONECT 1027 1018 1028 1029 CONECT 1028 1027 CONECT 1029 1027 1030 1105 CONECT 1030 1029 1031 1049 1104 CONECT 1031 1030 1032 1047 1048 CONECT 1032 1031 1033 1045 1046 CONECT 1033 1032 1034 1043 1044 CONECT 1034 1033 1035 1042 CONECT 1035 1034 1036 1039 CONECT 1036 1035 1037 1038 CONECT 1037 1036 CONECT 1038 1036 CONECT 1039 1035 1040 1041 CONECT 1040 1039 CONECT 1041 1039 CONECT 1042 1034 CONECT 1043 1033 CONECT 1044 1033 CONECT 1045 1032 CONECT 1046 1032 CONECT 1047 1031 CONECT 1048 1031 CONECT 1049 1030 1050 1051 CONECT 1050 1049 CONECT 1051 1049 1052 1103 CONECT 1052 1051 1053 1062 1102 CONECT 1053 1052 1054 1060 1061 CONECT 1054 1053 1055 1058 1059 CONECT 1055 1054 1056 1057 CONECT 1056 1055 CONECT 1057 1055 CONECT 1058 1054 CONECT 1059 1054 CONECT 1060 1053 CONECT 1061 1053 CONECT 1062 1052 1063 1064 CONECT 1063 1062 CONECT 1064 1062 1065 1101 CONECT 1065 1064 1066 1074 1100 CONECT 1066 1065 1067 1072 1073 CONECT 1067 1066 1068 1071 CONECT 1068 1067 1069 1070 CONECT 1069 1068 CONECT 1070 1068 CONECT 1071 1067 CONECT 1072 1066 CONECT 1073 1066 CONECT 1074 1065 1075 1076 CONECT 1075 1074 CONECT 1076 1074 1077 1099 CONECT 1077 1076 1078 1094 1098 CONECT 1078 1077 1079 1092 1093 CONECT 1079 1078 1080 1090 1091 CONECT 1080 1079 1081 1088 1089 CONECT 1081 1080 1082 1086 1087 CONECT 1082 1081 1083 1084 1085 CONECT 1083 1082 CONECT 1084 1082 CONECT 1085 1082 CONECT 1086 1081 CONECT 1087 1081 CONECT 1088 1080 CONECT 1089 1080 CONECT 1090 1079 CONECT 1091 1079 CONECT 1092 1078 CONECT 1093 1078 CONECT 1094 1077 1095 1096 CONECT 1095 1094 CONECT 1096 1094 1097 CONECT 1097 1096 CONECT 1098 1077 CONECT 1099 1076 CONECT 1100 1065 CONECT 1101 1064 CONECT 1102 1052 CONECT 1103 1051 CONECT 1104 1030 CONECT 1105 1029 CONECT 1106 1018 CONECT 1107 1017 CONECT 1108 1004 CONECT 1109 1003 CONECT 1110 989 CONECT 1111 988 CONECT 1112 985 1113 1119 1120 CONECT 1113 1112 1114 1117 1118 CONECT 1114 984 1113 1115 1116 CONECT 1115 1114 CONECT 1116 1114 CONECT 1117 1113 CONECT 1118 1113 CONECT 1119 1112 CONECT 1120 1112 CONECT 1121 985 CONECT 1122 973 CONECT 1123 972 CONECT 1124 972 CONECT 1125 972 MASTER 0 0 0 0 0 0 0 0 1124 1 158 5 END
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Protein
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Related entries of code: 1uj0
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PDB Code
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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
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
5svx
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
1uj0
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
STAM2 SH3 domain
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=27uM
Release Year
2003
Protein/NA Sequence
Check fasta file
Primary Reference
(2003) J.Biol.Chem. Vol. 278: pp. 48162-48168
Ligand Properties
Formula
C
4
4
H
8
0
N
1
5
O
1
5
S
Molecular Weight
1091.260
Exact Mass
1090.570
No. of atoms
155
No. of bonds
155
Polar Surface Area
551.61
LOGP Value
-7.45 (
Computed with XLOGP3
)
-4.51 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 45
No. of Nitrogen and Oxygen Atoms: 30
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)[NH3+])CCSC)CC(=O)N)CCC[NH+]=C(N)N)CCC(=O)O)CC(=O)N
InChI String
InChI=1S/C44H77N15O15S/c1-21(2)34(58-37(67)25(14-18-75-4)54-40(70)29-11-8-17-59(29)42(72)33(48)22(3)60)41(71)57-28(20-31(47)62)38(68)52-23(10-7-16-51-44(49)50)35(65)53-24(12-13-32(63)64)36(66)56-27(19-30(46)61)39(69)55-26(43(73)74)9-5-6-15-45/h21-29,33-34,60H,5-20,45,48H2,1-4H3,(H2,46,61)(H2,47,62)(H,52,68)(H,53,65)(H,54,70)(H,55,69)(H,56,66)(H,57,71)(H,58,67)(H,63,64)(H,73,74)(H4,49,50,51)/p+3/t22-,23+,24+,25+,26+,27+,28+,29+,33+,34+/m1/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O88811
Q80U87
Entrez Gene ID
NCBI Entrez Gene ID:
56324
84092
ASD
Information of known allosteric effects of PDB entries
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