Browse entries in the PDBbind-CN Database
HEADER 5UL6_COMPLEX COMPND 5UL6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 58 ALA GLU TYR VAL ARG ALA LEU PHE ASP PHE ASN GLY ASN SEQRES 2 A 58 ASP GLU GLU ASP LEU PRO PHE LYS LYS GLY ASP ILE LEU SEQRES 3 A 58 ARG ILE ARG ASP LYS PRO GLU GLU GLN TRP TRP ASN ALA SEQRES 4 A 58 GLU ASP SER GLU GLY LYS ARG GLY MET ILE PRO VAL PRO SEQRES 5 A 58 TYR VAL GLU LYS TYR ARG HET ACE A 188 243 ATOM 1 N ALA A 134 26.005 11.562 20.206 1.00 26.71 N ATOM 2 CA ALA A 134 26.595 10.980 19.012 1.00 18.55 C ATOM 3 C ALA A 134 27.764 10.058 19.339 1.00 17.37 C ATOM 4 O ALA A 134 28.404 10.176 20.379 1.00 19.11 O ATOM 5 CB ALA A 134 27.045 12.073 18.052 1.00 22.60 C ATOM 6 HN3 ALA A 134 26.724 12.118 20.711 1.00 0.00 H ATOM 7 HN2 ALA A 134 25.655 10.802 20.824 1.00 0.00 H ATOM 8 HN1 ALA A 134 25.215 12.181 19.934 1.00 0.00 H ATOM 9 N GLU A 135 28.039 9.144 18.425 1.00 17.82 N ATOM 10 CA GLU A 135 29.151 8.220 18.549 1.00 12.75 C ATOM 11 C GLU A 135 30.281 8.720 17.666 1.00 11.42 C ATOM 12 O GLU A 135 30.050 9.090 16.511 1.00 11.64 O ATOM 13 CB GLU A 135 28.715 6.824 18.103 1.00 13.61 C ATOM 14 CG GLU A 135 29.842 5.805 18.119 1.00 18.41 C ATOM 15 CD GLU A 135 29.389 4.433 17.667 1.00 25.74 C ATOM 16 OE1 GLU A 135 28.179 4.266 17.415 1.00 28.03 O ATOM 17 OE2 GLU A 135 30.248 3.527 17.570 1.00 23.84 O ATOM 18 H GLU A 135 27.433 9.084 17.582 1.00 0.00 H ATOM 19 N TYR A 136 31.493 8.750 18.211 1.00 9.79 N ATOM 20 CA TYR A 136 32.654 9.237 17.478 1.00 8.31 C ATOM 21 C TYR A 136 33.768 8.200 17.448 1.00 7.73 C ATOM 22 O TYR A 136 33.889 7.358 18.346 1.00 8.40 O ATOM 23 CB TYR A 136 33.212 10.537 18.086 1.00 8.20 C ATOM 24 CG TYR A 136 32.254 11.687 17.991 1.00 8.75 C ATOM 25 CD1 TYR A 136 31.355 11.942 19.010 1.00 10.30 C ATOM 26 CD2 TYR A 136 32.234 12.510 16.876 1.00 10.16 C ATOM 27 CE1 TYR A 136 30.454 12.995 18.927 1.00 13.46 C ATOM 28 CE2 TYR A 136 31.344 13.556 16.781 1.00 10.65 C ATOM 29 CZ TYR A 136 30.454 13.798 17.811 1.00 11.74 C ATOM 30 OH TYR A 136 29.551 14.842 17.728 1.00 16.61 O ATOM 31 HH TYR A 136 28.998 14.864 18.549 1.00 0.00 H ATOM 32 H TYR A 136 31.616 8.416 19.188 1.00 0.00 H ATOM 33 N VAL A 137 34.580 8.279 16.392 1.00 7.40 N ATOM 34 CA VAL A 137 35.782 7.470 16.248 1.00 6.84 C ATOM 35 C VAL A 137 36.942 8.379 15.864 1.00 6.98 C ATOM 36 O VAL A 137 36.758 9.480 15.337 1.00 7.34 O ATOM 37 CB VAL A 137 35.638 6.331 15.207 1.00 9.09 C ATOM 38 CG1 VAL A 137 34.577 5.335 15.623 1.00 7.40 C ATOM 39 CG2 VAL A 137 35.351 6.892 13.811 1.00 12.04 C ATOM 40 H VAL A 137 34.343 8.951 15.635 1.00 0.00 H ATOM 41 N ARG A 138 38.149 7.905 16.159 1.00 7.09 N ATOM 42 CA ARG A 138 39.381 8.600 15.819 1.00 7.51 C ATOM 43 C ARG A 138 40.136 7.771 14.792 1.00 7.63 C ATOM 44 O ARG A 138 40.314 6.565 14.974 1.00 8.83 O ATOM 45 CB ARG A 138 40.242 8.761 17.076 1.00 8.39 C ATOM 46 CG ARG A 138 41.638 9.280 16.831 1.00 7.18 C ATOM 47 CD ARG A 138 42.336 9.517 18.145 1.00 9.67 C ATOM 48 NE ARG A 138 42.425 8.301 18.959 1.00 9.76 N ATOM 49 CZ ARG A 138 43.411 7.415 18.887 1.00 10.07 C ATOM 50 NH1 ARG A 138 44.408 7.591 18.025 1.00 16.52 N ATOM 51 NH2 ARG A 138 43.406 6.346 19.679 1.00 11.56 N ATOM 52 HE ARG A 138 41.661 8.120 19.641 1.00 0.00 H ATOM 53 HH12 ARG A 138 45.178 6.894 17.972 1.00 0.00 H ATOM 54 HH11 ARG A 138 44.417 8.425 17.404 1.00 0.00 H ATOM 55 HH22 ARG A 138 44.179 5.653 19.622 1.00 0.00 H ATOM 56 HH21 ARG A 138 42.629 6.204 20.356 1.00 0.00 H ATOM 57 H ARG A 138 38.215 6.994 16.656 1.00 0.00 H ATOM 58 N ALA A 139 40.588 8.428 13.729 1.00 7.79 N ATOM 59 CA ALA A 139 41.366 7.775 12.687 1.00 6.93 C ATOM 60 C ALA A 139 42.756 7.409 13.198 1.00 7.05 C ATOM 61 O ALA A 139 43.509 8.269 13.679 1.00 9.16 O ATOM 62 CB ALA A 139 41.517 8.739 11.517 1.00 7.82 C ATOM 63 H ALA A 139 40.379 9.443 13.639 1.00 0.00 H ATOM 64 N LEU A 140 43.106 6.123 13.066 1.00 8.20 N ATOM 65 CA LEU A 140 44.435 5.629 13.378 1.00 8.76 C ATOM 66 C LEU A 140 45.407 5.802 12.221 1.00 9.15 C ATOM 67 O LEU A 140 46.622 5.835 12.455 1.00 11.03 O ATOM 68 CB LEU A 140 44.353 4.145 13.722 1.00 9.47 C ATOM 69 CG LEU A 140 43.505 3.815 14.949 1.00 9.24 C ATOM 70 CD1 LEU A 140 43.373 2.305 15.097 1.00 13.05 C ATOM 71 CD2 LEU A 140 44.128 4.410 16.193 1.00 11.31 C ATOM 72 H LEU A 140 42.393 5.447 12.724 1.00 0.00 H ATOM 73 N PHE A 141 44.903 5.916 10.990 1.00 8.62 N ATOM 74 CA PHE A 141 45.737 6.075 9.807 1.00 10.93 C ATOM 75 C PHE A 141 45.046 7.028 8.842 1.00 9.03 C ATOM 76 O PHE A 141 43.846 7.292 8.954 1.00 10.70 O ATOM 77 CB PHE A 141 45.949 4.726 9.092 1.00 12.37 C ATOM 78 CG PHE A 141 46.226 3.577 10.026 1.00 10.63 C ATOM 79 CD1 PHE A 141 47.514 3.321 10.470 1.00 14.56 C ATOM 80 CD2 PHE A 141 45.192 2.765 10.478 1.00 11.02 C ATOM 81 CE1 PHE A 141 47.776 2.268 11.338 1.00 16.96 C ATOM 82 CE2 PHE A 141 45.453 1.715 11.355 1.00 14.45 C ATOM 83 CZ PHE A 141 46.749 1.473 11.786 1.00 14.12 C ATOM 84 H PHE A 141 43.870 5.890 10.871 1.00 0.00 H ATOM 85 N ASP A 142 45.814 7.522 7.869 1.00 13.08 N ATOM 86 CA ASP A 142 45.226 8.155 6.698 1.00 11.78 C ATOM 87 C ASP A 142 44.418 7.127 5.911 1.00 12.20 C ATOM 88 O ASP A 142 44.809 5.958 5.795 1.00 12.41 O ATOM 89 CB ASP A 142 46.326 8.667 5.774 1.00 12.18 C ATOM 90 CG ASP A 142 47.009 9.920 6.278 1.00 16.74 C ATOM 91 OD1 ASP A 142 46.596 10.514 7.288 1.00 15.56 O ATOM 92 OD2 ASP A 142 47.964 10.340 5.604 1.00 19.34 O ATOM 93 H ASP A 142 46.849 7.454 7.949 1.00 0.00 H ATOM 94 N PHE A 143 43.287 7.572 5.354 1.00 10.27 N ATOM 95 CA PHE A 143 42.476 6.776 4.430 1.00 11.64 C ATOM 96 C PHE A 143 42.193 7.653 3.217 1.00 11.29 C ATOM 97 O PHE A 143 41.374 8.570 3.293 1.00 11.24 O ATOM 98 CB PHE A 143 41.176 6.350 5.099 1.00 8.35 C ATOM 99 CG PHE A 143 40.219 5.623 4.183 1.00 9.35 C ATOM 100 CD1 PHE A 143 40.611 4.479 3.514 1.00 9.79 C ATOM 101 CD2 PHE A 143 38.902 6.069 4.023 1.00 7.22 C ATOM 102 CE1 PHE A 143 39.721 3.794 2.696 1.00 9.53 C ATOM 103 CE2 PHE A 143 38.023 5.391 3.190 1.00 7.73 C ATOM 104 CZ PHE A 143 38.433 4.256 2.539 1.00 10.71 C ATOM 105 H PHE A 143 42.967 8.533 5.589 1.00 0.00 H ATOM 106 N ASN A 144 42.883 7.405 2.102 1.00 10.32 N ATOM 107 CA ASN A 144 42.628 8.197 0.904 1.00 11.98 C ATOM 108 C ASN A 144 41.297 7.850 0.258 1.00 10.74 C ATOM 109 O ASN A 144 40.754 8.669 -0.492 1.00 12.47 O ATOM 110 CB ASN A 144 43.738 7.976 -0.119 1.00 13.07 C ATOM 111 CG ASN A 144 45.057 8.561 0.320 1.00 19.51 C ATOM 112 OD1 ASN A 144 45.117 9.350 1.263 1.00 23.40 O ATOM 113 ND2 ASN A 144 46.123 8.174 -0.361 1.00 21.49 N ATOM 114 HD22 ASN A 144 46.021 7.505 -1.151 1.00 0.00 H ATOM 115 HD21 ASN A 144 47.063 8.539 -0.107 1.00 0.00 H ATOM 116 H ASN A 144 43.599 6.651 2.087 1.00 0.00 H ATOM 117 N GLY A 145 40.763 6.663 0.529 1.00 8.04 N ATOM 118 CA GLY A 145 39.573 6.193 -0.145 1.00 9.02 C ATOM 119 C GLY A 145 39.877 5.662 -1.536 1.00 8.80 C ATOM 120 O GLY A 145 40.951 5.871 -2.105 1.00 10.23 O ATOM 121 H GLY A 145 41.213 6.057 1.244 1.00 0.00 H ATOM 122 N ASN A 146 38.876 4.984 -2.110 1.00 9.16 N ATOM 123 CA ASN A 146 39.046 4.337 -3.405 1.00 9.96 C ATOM 124 C ASN A 146 37.809 4.502 -4.269 1.00 9.98 C ATOM 125 O ASN A 146 37.922 4.719 -5.476 1.00 11.35 O ATOM 126 CB ASN A 146 39.331 2.836 -3.236 1.00 16.37 C ATOM 127 CG ASN A 146 40.663 2.561 -2.554 1.00 17.25 C ATOM 128 OD1 ASN A 146 41.698 2.431 -3.212 1.00 21.10 O ATOM 129 ND2 ASN A 146 40.640 2.460 -1.238 1.00 12.48 N ATOM 130 HD22 ASN A 146 39.744 2.577 -0.723 1.00 0.00 H ATOM 131 HD21 ASN A 146 41.518 2.264 -0.716 1.00 0.00 H ATOM 132 H ASN A 146 37.960 4.918 -1.623 1.00 0.00 H ATOM 133 N ASP A 147 36.630 4.386 -3.662 1.00 8.94 N ATOM 134 CA ASP A 147 35.357 4.410 -4.366 1.00 10.50 C ATOM 135 C ASP A 147 34.615 5.704 -4.063 1.00 11.77 C ATOM 136 O ASP A 147 34.851 6.352 -3.044 1.00 10.86 O ATOM 137 CB ASP A 147 34.489 3.234 -3.919 1.00 9.55 C ATOM 138 CG ASP A 147 35.133 1.908 -4.191 1.00 13.71 C ATOM 139 OD1 ASP A 147 35.771 1.769 -5.252 1.00 15.18 O ATOM 140 OD2 ASP A 147 35.010 0.995 -3.348 1.00 14.83 O ATOM 141 H ASP A 147 36.618 4.272 -2.628 1.00 0.00 H ATOM 142 N GLU A 148 33.677 6.040 -4.950 1.00 13.10 N ATOM 143 CA GLU A 148 32.862 7.241 -4.794 1.00 13.31 C ATOM 144 C GLU A 148 32.223 7.324 -3.407 1.00 12.50 C ATOM 145 O GLU A 148 32.200 8.394 -2.788 1.00 14.87 O ATOM 146 CB GLU A 148 31.792 7.257 -5.885 1.00 17.66 C ATOM 147 CG GLU A 148 30.989 8.535 -5.965 1.00 27.60 C ATOM 148 CD GLU A 148 29.953 8.481 -7.077 1.00 33.22 C ATOM 149 OE1 GLU A 148 29.652 7.364 -7.553 1.00 36.57 O ATOM 150 OE2 GLU A 148 29.447 9.552 -7.475 1.00 35.67 O ATOM 151 H GLU A 148 33.522 5.428 -5.777 1.00 0.00 H ATOM 152 N GLU A 149 31.724 6.196 -2.887 1.00 10.29 N ATOM 153 CA GLU A 149 31.005 6.207 -1.614 1.00 9.95 C ATOM 154 C GLU A 149 31.913 6.391 -0.397 1.00 12.66 C ATOM 155 O GLU A 149 31.394 6.637 0.699 1.00 11.41 O ATOM 156 CB GLU A 149 30.223 4.905 -1.453 1.00 10.43 C ATOM 157 CG GLU A 149 31.134 3.700 -1.313 1.00 11.10 C ATOM 158 CD GLU A 149 30.415 2.400 -1.048 1.00 14.58 C ATOM 159 OE1 GLU A 149 29.165 2.380 -1.014 1.00 20.76 O ATOM 160 OE2 GLU A 149 31.117 1.380 -0.872 1.00 18.49 O ATOM 161 H GLU A 149 31.850 5.298 -3.396 1.00 0.00 H ATOM 162 N ASP A 150 33.230 6.277 -0.547 1.00 7.87 N ATOM 163 CA ASP A 150 34.130 6.355 0.599 1.00 7.85 C ATOM 164 C ASP A 150 34.248 7.788 1.105 1.00 8.69 C ATOM 165 O ASP A 150 34.109 8.754 0.348 1.00 9.70 O ATOM 166 CB ASP A 150 35.524 5.886 0.196 1.00 9.56 C ATOM 167 CG ASP A 150 35.569 4.412 -0.139 1.00 11.65 C ATOM 168 OD1 ASP A 150 34.663 3.689 0.307 1.00 10.47 O ATOM 169 OD2 ASP A 150 36.531 3.976 -0.820 1.00 10.70 O ATOM 170 H ASP A 150 33.625 6.130 -1.498 1.00 0.00 H ATOM 171 N LEU A 151 34.533 7.916 2.403 1.00 9.79 N ATOM 172 CA LEU A 151 34.844 9.204 3.016 1.00 11.02 C ATOM 173 C LEU A 151 36.323 9.233 3.369 1.00 9.29 C ATOM 174 O LEU A 151 36.740 8.600 4.353 1.00 9.92 O ATOM 175 CB LEU A 151 33.993 9.411 4.269 1.00 7.57 C ATOM 176 CG LEU A 151 34.308 10.662 5.088 1.00 9.59 C ATOM 177 CD1 LEU A 151 34.041 11.901 4.256 1.00 12.27 C ATOM 178 CD2 LEU A 151 33.454 10.660 6.337 1.00 12.03 C ATOM 179 H LEU A 151 34.533 7.065 3.001 1.00 0.00 H ATOM 180 N PRO A 152 37.161 9.909 2.588 1.00 8.04 N ATOM 181 CA PRO A 152 38.575 10.044 2.956 1.00 10.90 C ATOM 182 C PRO A 152 38.741 10.797 4.267 1.00 10.49 C ATOM 183 O PRO A 152 37.923 11.648 4.630 1.00 10.12 O ATOM 184 CB PRO A 152 39.167 10.846 1.792 1.00 9.72 C ATOM 185 CG PRO A 152 38.206 10.607 0.639 1.00 12.33 C ATOM 186 CD PRO A 152 36.856 10.549 1.299 1.00 11.61 C ATOM 187 N PHE A 153 39.833 10.492 4.968 1.00 9.21 N ATOM 188 CA PHE A 153 40.135 11.155 6.229 1.00 8.04 C ATOM 189 C PHE A 153 41.630 11.069 6.490 1.00 9.28 C ATOM 190 O PHE A 153 42.351 10.316 5.836 1.00 10.35 O ATOM 191 CB PHE A 153 39.293 10.611 7.402 1.00 6.08 C ATOM 192 CG PHE A 153 39.392 9.111 7.620 1.00 6.82 C ATOM 193 CD1 PHE A 153 40.491 8.556 8.268 1.00 7.04 C ATOM 194 CD2 PHE A 153 38.357 8.265 7.234 1.00 9.05 C ATOM 195 CE1 PHE A 153 40.575 7.189 8.495 1.00 8.57 C ATOM 196 CE2 PHE A 153 38.431 6.891 7.459 1.00 8.70 C ATOM 197 CZ PHE A 153 39.543 6.351 8.098 1.00 8.90 C ATOM 198 H PHE A 153 40.483 9.765 4.607 1.00 0.00 H ATOM 199 N LYS A 154 42.088 11.870 7.447 1.00 9.69 N ATOM 200 CA LYS A 154 43.487 11.914 7.839 1.00 10.21 C ATOM 201 C LYS A 154 43.656 11.346 9.243 1.00 7.75 C ATOM 202 O LYS A 154 42.747 11.419 10.078 1.00 10.35 O ATOM 203 CB LYS A 154 44.035 13.346 7.785 1.00 11.24 C ATOM 204 CG LYS A 154 44.049 13.974 6.399 1.00 20.70 C ATOM 205 CD LYS A 154 44.969 13.227 5.464 1.00 27.33 C ATOM 206 CE LYS A 154 45.158 13.977 4.153 1.00 36.64 C ATOM 207 NZ LYS A 154 46.021 13.213 3.199 1.00 42.70 N ATOM 208 HZ1 LYS A 154 46.956 13.059 3.627 1.00 0.00 H ATOM 209 HZ2 LYS A 154 45.578 12.295 2.991 1.00 0.00 H ATOM 210 HZ3 LYS A 154 46.127 13.756 2.318 1.00 0.00 H ATOM 211 H LYS A 154 41.415 12.493 7.937 1.00 0.00 H ATOM 212 N LYS A 155 44.830 10.755 9.477 1.00 10.58 N ATOM 213 CA LYS A 155 45.216 10.268 10.797 1.00 10.32 C ATOM 214 C LYS A 155 44.919 11.313 11.865 1.00 10.51 C ATOM 215 O LYS A 155 45.311 12.479 11.744 1.00 11.44 O ATOM 216 CB LYS A 155 46.712 9.942 10.784 1.00 11.29 C ATOM 217 CG LYS A 155 47.235 9.326 12.055 1.00 12.87 C ATOM 218 CD LYS A 155 48.753 9.351 12.067 1.00 14.55 C ATOM 219 CE LYS A 155 49.299 8.508 13.197 1.00 18.61 C ATOM 220 NZ LYS A 155 49.054 7.069 12.932 1.00 31.04 N ATOM 221 HZ1 LYS A 155 48.031 6.903 12.848 1.00 0.00 H ATOM 222 HZ2 LYS A 155 49.525 6.796 12.046 1.00 0.00 H ATOM 223 HZ3 LYS A 155 49.435 6.503 13.717 1.00 0.00 H ATOM 224 H LYS A 155 45.496 10.637 8.687 1.00 0.00 H ATOM 225 N GLY A 156 44.207 10.889 12.909 1.00 8.84 N ATOM 226 CA GLY A 156 43.858 11.754 14.018 1.00 9.52 C ATOM 227 C GLY A 156 42.510 12.430 13.894 1.00 8.35 C ATOM 228 O GLY A 156 42.019 12.979 14.888 1.00 11.91 O ATOM 229 H GLY A 156 43.890 9.899 12.928 1.00 0.00 H ATOM 230 N ASP A 157 41.880 12.387 12.721 1.00 7.54 N ATOM 231 CA ASP A 157 40.593 13.049 12.550 1.00 7.47 C ATOM 232 C ASP A 157 39.537 12.372 13.411 1.00 8.46 C ATOM 233 O ASP A 157 39.559 11.152 13.621 1.00 9.35 O ATOM 234 CB ASP A 157 40.117 12.936 11.099 1.00 8.33 C ATOM 235 CG ASP A 157 40.838 13.869 10.142 1.00 9.64 C ATOM 236 OD1 ASP A 157 41.683 14.676 10.576 1.00 13.03 O ATOM 237 OD2 ASP A 157 40.533 13.800 8.932 1.00 10.80 O ATOM 238 H ASP A 157 42.309 11.878 11.922 1.00 0.00 H ATOM 239 N ILE A 158 38.602 13.176 13.903 1.00 7.23 N ATOM 240 CA ILE A 158 37.463 12.679 14.656 1.00 8.04 C ATOM 241 C ILE A 158 36.266 12.629 13.705 1.00 6.13 C ATOM 242 O ILE A 158 35.911 13.641 13.078 1.00 8.24 O ATOM 243 CB ILE A 158 37.185 13.546 15.895 1.00 7.58 C ATOM 244 CG1 ILE A 158 38.437 13.659 16.786 1.00 8.67 C ATOM 245 CG2 ILE A 158 35.996 12.992 16.681 1.00 9.91 C ATOM 246 CD1 ILE A 158 39.064 12.326 17.198 1.00 7.31 C ATOM 247 H ILE A 158 38.688 14.200 13.743 1.00 0.00 H ATOM 248 N LEU A 159 35.650 11.451 13.591 1.00 5.71 N ATOM 249 CA LEU A 159 34.529 11.231 12.688 1.00 7.04 C ATOM 250 C LEU A 159 33.309 10.809 13.490 1.00 7.72 C ATOM 251 O LEU A 159 33.420 10.045 14.455 1.00 9.20 O ATOM 252 CB LEU A 159 34.868 10.146 11.671 1.00 7.76 C ATOM 253 CG LEU A 159 36.105 10.448 10.833 1.00 15.68 C ATOM 254 CD1 LEU A 159 36.923 9.191 10.626 1.00 19.43 C ATOM 255 CD2 LEU A 159 35.678 11.013 9.517 1.00 18.07 C ATOM 256 H LEU A 159 35.985 10.656 14.172 1.00 0.00 H ATOM 257 N ARG A 160 32.141 11.301 13.081 1.00 9.23 N ATOM 258 CA ARG A 160 30.891 10.892 13.694 1.00 8.69 C ATOM 259 C ARG A 160 30.345 9.687 12.939 1.00 12.40 C ATOM 260 O ARG A 160 30.371 9.648 11.706 1.00 11.59 O ATOM 261 CB ARG A 160 29.858 12.018 13.632 1.00 11.50 C ATOM 262 CG ARG A 160 28.636 11.695 14.456 1.00 15.96 C ATOM 263 CD ARG A 160 27.382 12.161 13.809 1.00 25.56 C ATOM 264 NE ARG A 160 26.292 11.219 14.031 1.00 27.42 N ATOM 265 CZ ARG A 160 25.025 11.461 13.715 1.00 29.76 C ATOM 266 NH1 ARG A 160 24.689 12.628 13.172 1.00 25.86 N ATOM 267 NH2 ARG A 160 24.094 10.541 13.943 1.00 30.92 N ATOM 268 HE ARG A 160 26.521 10.301 14.463 1.00 0.00 H ATOM 269 HH12 ARG A 160 23.697 12.820 12.924 1.00 0.00 H ATOM 270 HH11 ARG A 160 25.418 13.349 12.996 1.00 0.00 H ATOM 271 HH22 ARG A 160 23.102 10.732 13.695 1.00 0.00 H ATOM 272 HH21 ARG A 160 24.357 9.630 14.370 1.00 0.00 H ATOM 273 H ARG A 160 32.124 11.994 12.305 1.00 0.00 H ATOM 274 N ILE A 161 29.861 8.699 13.676 1.00 9.10 N ATOM 275 CA ILE A 161 29.279 7.510 13.066 1.00 9.05 C ATOM 276 C ILE A 161 27.794 7.751 12.844 1.00 12.93 C ATOM 277 O ILE A 161 27.057 8.064 13.789 1.00 18.13 O ATOM 278 CB ILE A 161 29.518 6.261 13.931 1.00 12.39 C ATOM 279 CG1 ILE A 161 31.022 6.056 14.170 1.00 12.61 C ATOM 280 CG2 ILE A 161 28.859 5.036 13.287 1.00 13.92 C ATOM 281 CD1 ILE A 161 31.897 6.138 12.914 1.00 12.36 C ATOM 282 H ILE A 161 29.897 8.773 14.713 1.00 0.00 H ATOM 283 N ARG A 162 27.346 7.603 11.600 1.00 11.21 N ATOM 284 CA ARG A 162 25.926 7.765 11.316 1.00 13.05 C ATOM 285 C ARG A 162 25.180 6.441 11.404 1.00 18.17 C ATOM 286 O ARG A 162 24.144 6.356 12.075 1.00 18.42 O ATOM 287 CB ARG A 162 25.718 8.428 9.957 1.00 17.36 C ATOM 288 CG ARG A 162 26.186 9.865 9.918 1.00 21.24 C ATOM 289 CD ARG A 162 25.841 10.495 8.591 1.00 19.63 C ATOM 290 NE ARG A 162 24.432 10.278 8.278 1.00 24.44 N ATOM 291 CZ ARG A 162 23.453 11.000 8.800 1.00 32.35 C ATOM 292 NH1 ARG A 162 23.746 11.980 9.646 1.00 34.03 N ATOM 293 NH2 ARG A 162 22.194 10.748 8.482 1.00 31.07 N ATOM 294 HE ARG A 162 24.185 9.519 7.612 1.00 0.00 H ATOM 295 HH12 ARG A 162 22.984 12.553 10.062 1.00 0.00 H ATOM 296 HH11 ARG A 162 24.737 12.175 9.893 1.00 0.00 H ATOM 297 HH22 ARG A 162 21.429 11.319 8.895 1.00 0.00 H ATOM 298 HH21 ARG A 162 21.969 9.979 7.819 1.00 0.00 H ATOM 299 H ARG A 162 28.008 7.372 10.832 1.00 0.00 H ATOM 300 N ASP A 163 25.691 5.398 10.753 1.00 15.17 N ATOM 301 CA ASP A 163 25.128 4.066 10.924 1.00 18.52 C ATOM 302 C ASP A 163 26.174 3.033 10.524 1.00 15.61 C ATOM 303 O ASP A 163 27.280 3.369 10.086 1.00 13.61 O ATOM 304 CB ASP A 163 23.795 3.896 10.184 1.00 22.53 C ATOM 305 CG ASP A 163 23.904 4.202 8.719 1.00 30.98 C ATOM 306 OD1 ASP A 163 23.269 5.173 8.263 1.00 41.81 O ATOM 307 OD2 ASP A 163 24.627 3.470 8.020 1.00 34.64 O ATOM 308 H ASP A 163 26.501 5.536 10.115 1.00 0.00 H ATOM 309 N LYS A 164 25.811 1.762 10.690 1.00 11.10 N ATOM 310 CA LYS A 164 26.746 0.644 10.594 1.00 12.43 C ATOM 311 C LYS A 164 26.135 -0.407 9.677 1.00 13.81 C ATOM 312 O LYS A 164 25.575 -1.411 10.139 1.00 16.51 O ATOM 313 CB LYS A 164 27.062 0.095 11.985 1.00 14.21 C ATOM 314 CG LYS A 164 27.680 1.130 12.904 1.00 13.28 C ATOM 315 CD LYS A 164 27.980 0.583 14.277 1.00 14.03 C ATOM 316 CE LYS A 164 28.611 1.663 15.139 1.00 14.82 C ATOM 317 NZ LYS A 164 28.875 1.218 16.534 1.00 21.34 N ATOM 318 HZ1 LYS A 164 27.979 0.940 16.983 1.00 0.00 H ATOM 319 HZ2 LYS A 164 29.525 0.406 16.520 1.00 0.00 H ATOM 320 HZ3 LYS A 164 29.305 1.999 17.070 1.00 0.00 H ATOM 321 H LYS A 164 24.813 1.556 10.898 1.00 0.00 H ATOM 322 N PRO A 165 26.205 -0.198 8.360 1.00 13.26 N ATOM 323 CA PRO A 165 25.563 -1.138 7.431 1.00 12.12 C ATOM 324 C PRO A 165 26.225 -2.504 7.382 1.00 14.45 C ATOM 325 O PRO A 165 25.566 -3.472 6.988 1.00 16.59 O ATOM 326 CB PRO A 165 25.659 -0.419 6.079 1.00 16.27 C ATOM 327 CG PRO A 165 26.849 0.457 6.224 1.00 16.38 C ATOM 328 CD PRO A 165 26.851 0.919 7.657 1.00 15.69 C ATOM 329 N GLU A 166 27.502 -2.615 7.747 1.00 12.36 N ATOM 330 CA GLU A 166 28.156 -3.912 7.830 1.00 8.43 C ATOM 331 C GLU A 166 29.242 -3.829 8.893 1.00 10.30 C ATOM 332 O GLU A 166 29.527 -2.755 9.432 1.00 11.53 O ATOM 333 CB GLU A 166 28.685 -4.375 6.464 1.00 9.48 C ATOM 334 CG GLU A 166 29.750 -3.501 5.844 1.00 11.00 C ATOM 335 CD GLU A 166 30.135 -3.971 4.447 1.00 8.71 C ATOM 336 OE1 GLU A 166 29.436 -3.622 3.481 1.00 13.73 O ATOM 337 OE2 GLU A 166 31.126 -4.701 4.312 1.00 11.76 O ATOM 338 H GLU A 166 28.042 -1.757 7.977 1.00 0.00 H ATOM 339 N GLU A 167 29.859 -4.981 9.182 1.00 8.01 N ATOM 340 CA GLU A 167 30.761 -5.062 10.327 1.00 8.79 C ATOM 341 C GLU A 167 32.005 -4.198 10.150 1.00 10.47 C ATOM 342 O GLU A 167 32.467 -3.574 11.113 1.00 10.73 O ATOM 343 CB GLU A 167 31.144 -6.519 10.583 1.00 9.32 C ATOM 344 CG GLU A 167 32.069 -6.695 11.782 1.00 10.25 C ATOM 345 CD GLU A 167 32.469 -8.135 11.974 1.00 11.82 C ATOM 346 OE1 GLU A 167 31.868 -8.820 12.834 1.00 14.91 O ATOM 347 OE2 GLU A 167 33.361 -8.586 11.227 1.00 12.64 O ATOM 348 H GLU A 167 29.696 -5.820 8.590 1.00 0.00 H ATOM 349 N GLN A 168 32.575 -4.149 8.943 1.00 9.24 N ATOM 350 CA GLN A 168 33.884 -3.536 8.752 1.00 8.30 C ATOM 351 C GLN A 168 33.841 -2.217 7.994 1.00 7.27 C ATOM 352 O GLN A 168 34.894 -1.600 7.773 1.00 8.22 O ATOM 353 CB GLN A 168 34.851 -4.517 8.074 1.00 8.88 C ATOM 354 CG GLN A 168 35.073 -5.823 8.825 1.00 11.45 C ATOM 355 CD GLN A 168 35.709 -5.639 10.190 1.00 11.06 C ATOM 356 OE1 GLN A 168 36.376 -4.626 10.442 1.00 11.29 O ATOM 357 NE2 GLN A 168 35.521 -6.615 11.076 1.00 10.68 N ATOM 358 HE22 GLN A 168 34.953 -7.448 10.820 1.00 0.00 H ATOM 359 HE21 GLN A 168 35.942 -6.545 12.024 1.00 0.00 H ATOM 360 H GLN A 168 32.077 -4.555 8.126 1.00 0.00 H ATOM 361 N TRP A 169 32.661 -1.771 7.585 1.00 7.78 N ATOM 362 CA TRP A 169 32.496 -0.510 6.878 1.00 7.35 C ATOM 363 C TRP A 169 31.313 0.212 7.492 1.00 11.08 C ATOM 364 O TRP A 169 30.198 -0.325 7.508 1.00 10.08 O ATOM 365 CB TRP A 169 32.255 -0.742 5.381 1.00 8.68 C ATOM 366 CG TRP A 169 33.496 -1.197 4.654 1.00 6.09 C ATOM 367 CD1 TRP A 169 33.891 -2.488 4.415 1.00 8.04 C ATOM 368 CD2 TRP A 169 34.508 -0.356 4.100 1.00 6.24 C ATOM 369 NE1 TRP A 169 35.079 -2.495 3.725 1.00 9.34 N ATOM 370 CE2 TRP A 169 35.481 -1.197 3.526 1.00 8.39 C ATOM 371 CE3 TRP A 169 34.684 1.035 4.023 1.00 7.55 C ATOM 372 CZ2 TRP A 169 36.611 -0.694 2.882 1.00 9.19 C ATOM 373 CZ3 TRP A 169 35.807 1.532 3.374 1.00 7.44 C ATOM 374 CH2 TRP A 169 36.759 0.670 2.820 1.00 7.44 C ATOM 375 HE1 TRP A 169 35.590 -3.343 3.406 1.00 0.00 H ATOM 376 H TRP A 169 31.817 -2.347 7.778 1.00 0.00 H ATOM 377 N TRP A 170 31.553 1.412 8.013 1.00 10.00 N ATOM 378 CA TRP A 170 30.494 2.205 8.616 1.00 7.07 C ATOM 379 C TRP A 170 30.271 3.479 7.819 1.00 9.16 C ATOM 380 O TRP A 170 31.171 3.961 7.124 1.00 10.12 O ATOM 381 CB TRP A 170 30.821 2.559 10.059 1.00 8.45 C ATOM 382 CG TRP A 170 30.872 1.384 10.981 1.00 10.42 C ATOM 383 CD1 TRP A 170 30.472 0.106 10.713 1.00 8.85 C ATOM 384 CD2 TRP A 170 31.347 1.387 12.328 1.00 11.58 C ATOM 385 NE1 TRP A 170 30.671 -0.694 11.821 1.00 11.16 N ATOM 386 CE2 TRP A 170 31.212 0.068 12.824 1.00 11.40 C ATOM 387 CE3 TRP A 170 31.882 2.375 13.165 1.00 12.75 C ATOM 388 CZ2 TRP A 170 31.583 -0.284 14.120 1.00 13.69 C ATOM 389 CZ3 TRP A 170 32.256 2.022 14.449 1.00 13.31 C ATOM 390 CH2 TRP A 170 32.101 0.702 14.917 1.00 13.60 C ATOM 391 HE1 TRP A 170 30.447 -1.708 11.884 1.00 0.00 H ATOM 392 H TRP A 170 32.521 1.792 7.988 1.00 0.00 H ATOM 393 N ASN A 171 29.065 4.031 7.926 1.00 10.81 N ATOM 394 CA ASN A 171 28.758 5.311 7.298 1.00 9.42 C ATOM 395 C ASN A 171 29.020 6.435 8.294 1.00 9.55 C ATOM 396 O ASN A 171 28.369 6.513 9.342 1.00 11.33 O ATOM 397 CB ASN A 171 27.315 5.358 6.806 1.00 11.61 C ATOM 398 CG ASN A 171 26.980 6.668 6.113 1.00 15.79 C ATOM 399 OD1 ASN A 171 27.579 7.016 5.097 1.00 21.33 O ATOM 400 ND2 ASN A 171 26.013 7.396 6.656 1.00 23.94 N ATOM 401 HD22 ASN A 171 25.532 7.064 7.516 1.00 0.00 H ATOM 402 HD21 ASN A 171 25.735 8.299 6.221 1.00 0.00 H ATOM 403 H ASN A 171 28.326 3.540 8.469 1.00 0.00 H ATOM 404 N ALA A 172 29.954 7.311 7.955 1.00 11.68 N ATOM 405 CA ALA A 172 30.453 8.337 8.861 1.00 12.16 C ATOM 406 C ALA A 172 30.287 9.726 8.261 1.00 9.58 C ATOM 407 O ALA A 172 29.922 9.886 7.093 1.00 10.67 O ATOM 408 CB ALA A 172 31.918 8.084 9.230 1.00 12.15 C ATOM 409 H ALA A 172 30.351 7.264 6.995 1.00 0.00 H ATOM 410 N GLU A 173 30.544 10.736 9.093 1.00 9.08 N ATOM 411 CA GLU A 173 30.433 12.134 8.699 1.00 11.18 C ATOM 412 C GLU A 173 31.610 12.899 9.276 1.00 10.17 C ATOM 413 O GLU A 173 31.966 12.710 10.449 1.00 10.74 O ATOM 414 CB GLU A 173 29.121 12.758 9.191 1.00 15.73 C ATOM 415 CG GLU A 173 28.987 14.254 8.924 1.00 13.32 C ATOM 416 CD GLU A 173 27.544 14.728 8.910 1.00 18.21 C ATOM 417 OE1 GLU A 173 26.642 13.878 8.741 1.00 21.36 O ATOM 418 OE2 GLU A 173 27.318 15.948 9.053 1.00 24.14 O ATOM 419 H GLU A 173 30.837 10.516 10.066 1.00 0.00 H ATOM 420 N ASP A 174 32.226 13.744 8.449 1.00 7.56 N ATOM 421 CA ASP A 174 33.380 14.509 8.896 1.00 8.10 C ATOM 422 C ASP A 174 32.952 15.879 9.406 1.00 9.03 C ATOM 423 O ASP A 174 31.773 16.244 9.374 1.00 8.65 O ATOM 424 CB ASP A 174 34.510 14.527 7.851 1.00 9.88 C ATOM 425 CG ASP A 174 34.211 15.387 6.634 1.00 9.62 C ATOM 426 OD1 ASP A 174 33.255 16.195 6.663 1.00 9.03 O ATOM 427 OD2 ASP A 174 34.959 15.260 5.640 1.00 10.39 O ATOM 428 H ASP A 174 31.878 13.857 7.475 1.00 0.00 H ATOM 429 N SER A 175 33.931 16.644 9.883 1.00 8.45 N ATOM 430 CA SER A 175 33.654 17.943 10.479 1.00 10.10 C ATOM 431 C SER A 175 33.141 18.948 9.456 1.00 14.97 C ATOM 432 O SER A 175 32.562 19.970 9.843 1.00 19.12 O ATOM 433 CB SER A 175 34.897 18.502 11.180 1.00 11.77 C ATOM 434 OG SER A 175 35.912 18.792 10.237 1.00 13.12 O ATOM 435 HG SER A 175 36.160 17.963 9.755 1.00 0.00 H ATOM 436 H SER A 175 34.913 16.307 9.829 1.00 0.00 H ATOM 437 N GLU A 176 33.363 18.699 8.170 1.00 13.64 N ATOM 438 CA GLU A 176 32.844 19.546 7.109 1.00 15.24 C ATOM 439 C GLU A 176 31.454 19.132 6.654 1.00 14.01 C ATOM 440 O GLU A 176 30.925 19.731 5.718 1.00 17.53 O ATOM 441 CB GLU A 176 33.797 19.557 5.908 1.00 16.25 C ATOM 442 CG GLU A 176 35.052 20.390 6.099 1.00 31.14 C ATOM 443 CD GLU A 176 36.259 19.550 6.458 1.00 42.83 C ATOM 444 OE1 GLU A 176 36.086 18.520 7.143 1.00 48.68 O ATOM 445 OE2 GLU A 176 37.382 19.912 6.047 1.00 43.41 O ATOM 446 H GLU A 176 33.930 17.866 7.913 1.00 0.00 H ATOM 447 N GLY A 177 30.848 18.136 7.292 1.00 13.39 N ATOM 448 CA GLY A 177 29.535 17.663 6.895 1.00 14.56 C ATOM 449 C GLY A 177 29.520 16.730 5.709 1.00 14.00 C ATOM 450 O GLY A 177 28.446 16.489 5.146 1.00 17.25 O ATOM 451 H GLY A 177 31.327 17.684 8.097 1.00 0.00 H ATOM 452 N LYS A 178 30.670 16.230 5.281 1.00 11.12 N ATOM 453 CA LYS A 178 30.715 15.236 4.226 1.00 12.66 C ATOM 454 C LYS A 178 30.525 13.843 4.813 1.00 12.75 C ATOM 455 O LYS A 178 30.897 13.580 5.957 1.00 11.34 O ATOM 456 CB LYS A 178 32.030 15.333 3.452 1.00 11.60 C ATOM 457 CG LYS A 178 32.304 16.720 2.866 1.00 14.18 C ATOM 458 CD LYS A 178 31.162 17.175 1.972 1.00 19.08 C ATOM 459 CE LYS A 178 31.358 18.603 1.483 1.00 24.00 C ATOM 460 NZ LYS A 178 30.219 19.035 0.632 1.00 25.72 N ATOM 461 HZ1 LYS A 178 30.146 18.406 -0.193 1.00 0.00 H ATOM 462 HZ2 LYS A 178 29.339 18.988 1.184 1.00 0.00 H ATOM 463 HZ3 LYS A 178 30.378 20.012 0.312 1.00 0.00 H ATOM 464 H LYS A 178 31.559 16.557 5.711 1.00 0.00 H ATOM 465 N ARG A 179 29.942 12.945 4.014 1.00 11.96 N ATOM 466 CA ARG A 179 29.529 11.628 4.482 1.00 11.06 C ATOM 467 C ARG A 179 30.088 10.547 3.575 1.00 10.46 C ATOM 468 O ARG A 179 30.290 10.763 2.377 1.00 10.92 O ATOM 469 CB ARG A 179 28.000 11.496 4.478 1.00 12.32 C ATOM 470 CG ARG A 179 27.293 12.472 5.395 1.00 13.68 C ATOM 471 CD ARG A 179 25.793 12.223 5.367 1.00 16.44 C ATOM 472 NE ARG A 179 25.050 13.240 6.106 1.00 18.76 N ATOM 473 CZ ARG A 179 23.724 13.286 6.175 1.00 25.63 C ATOM 474 NH1 ARG A 179 22.995 12.363 5.562 1.00 26.50 N ATOM 475 NH2 ARG A 179 23.129 14.250 6.862 1.00 27.28 N ATOM 476 HE ARG A 179 25.591 13.972 6.608 1.00 0.00 H ATOM 477 HH12 ARG A 179 21.957 12.399 5.616 1.00 0.00 H ATOM 478 HH11 ARG A 179 23.461 11.603 5.027 1.00 0.00 H ATOM 479 HH22 ARG A 179 22.091 14.286 6.916 1.00 0.00 H ATOM 480 HH21 ARG A 179 23.700 14.971 7.348 1.00 0.00 H ATOM 481 H ARG A 179 29.776 13.196 3.018 1.00 0.00 H ATOM 482 N GLY A 180 30.290 9.362 4.135 1.00 10.31 N ATOM 483 CA GLY A 180 30.731 8.253 3.318 1.00 9.45 C ATOM 484 C GLY A 180 31.209 7.090 4.158 1.00 8.67 C ATOM 485 O GLY A 180 31.195 7.125 5.389 1.00 10.31 O ATOM 486 H GLY A 180 30.132 9.231 5.155 1.00 0.00 H ATOM 487 N MET A 181 31.650 6.061 3.448 1.00 8.66 N ATOM 488 CA MET A 181 32.054 4.802 4.053 1.00 8.44 C ATOM 489 C MET A 181 33.486 4.873 4.560 1.00 8.84 C ATOM 490 O MET A 181 34.374 5.422 3.900 1.00 8.72 O ATOM 491 CB MET A 181 31.941 3.692 3.015 1.00 13.59 C ATOM 492 CG MET A 181 30.549 3.588 2.438 1.00 11.97 C ATOM 493 SD MET A 181 29.383 3.164 3.734 1.00 25.50 S ATOM 494 CE MET A 181 29.845 1.452 3.953 1.00 24.26 C ATOM 495 H MET A 181 31.710 6.158 2.414 1.00 0.00 H ATOM 496 N ILE A 182 33.705 4.303 5.741 1.00 8.01 N ATOM 497 CA ILE A 182 35.022 4.303 6.375 1.00 7.60 C ATOM 498 C ILE A 182 35.360 2.887 6.820 1.00 9.09 C ATOM 499 O ILE A 182 34.478 2.152 7.288 1.00 7.26 O ATOM 500 CB ILE A 182 35.098 5.290 7.550 1.00 6.66 C ATOM 501 CG1 ILE A 182 34.114 4.928 8.666 1.00 8.81 C ATOM 502 CG2 ILE A 182 34.872 6.723 7.082 1.00 9.46 C ATOM 503 CD1 ILE A 182 34.440 5.626 9.963 1.00 10.01 C ATOM 504 H ILE A 182 32.912 3.841 6.231 1.00 0.00 H ATOM 505 N PRO A 183 36.625 2.477 6.711 1.00 9.56 N ATOM 506 CA PRO A 183 37.030 1.132 7.145 1.00 9.17 C ATOM 507 C PRO A 183 37.219 1.082 8.653 1.00 7.08 C ATOM 508 O PRO A 183 38.072 1.776 9.221 1.00 8.65 O ATOM 509 CB PRO A 183 38.351 0.906 6.401 1.00 7.85 C ATOM 510 CG PRO A 183 38.897 2.302 6.208 1.00 7.98 C ATOM 511 CD PRO A 183 37.705 3.200 6.018 1.00 7.60 C ATOM 512 N VAL A 184 36.408 0.244 9.295 1.00 8.79 N ATOM 513 CA VAL A 184 36.438 0.137 10.757 1.00 9.97 C ATOM 514 C VAL A 184 37.805 -0.226 11.321 1.00 9.48 C ATOM 515 O VAL A 184 38.175 0.316 12.374 1.00 8.22 O ATOM 516 CB VAL A 184 35.297 -0.760 11.250 1.00 8.90 C ATOM 517 CG1 VAL A 184 35.332 -0.871 12.760 1.00 12.01 C ATOM 518 CG2 VAL A 184 33.945 -0.230 10.792 1.00 10.05 C ATOM 519 H VAL A 184 35.744 -0.343 8.752 1.00 0.00 H ATOM 520 N PRO A 185 38.607 -1.102 10.701 1.00 8.29 N ATOM 521 CA PRO A 185 39.942 -1.383 11.262 1.00 8.74 C ATOM 522 C PRO A 185 40.856 -0.170 11.318 1.00 8.19 C ATOM 523 O PRO A 185 41.885 -0.228 12.000 1.00 9.38 O ATOM 524 CB PRO A 185 40.493 -2.465 10.328 1.00 10.87 C ATOM 525 CG PRO A 185 39.276 -3.101 9.736 1.00 10.20 C ATOM 526 CD PRO A 185 38.327 -1.975 9.546 1.00 9.07 C ATOM 527 N TYR A 186 40.522 0.914 10.622 1.00 8.81 N ATOM 528 CA TYR A 186 41.362 2.098 10.629 1.00 7.33 C ATOM 529 C TYR A 186 40.976 3.095 11.701 1.00 9.71 C ATOM 530 O TYR A 186 41.573 4.170 11.747 1.00 8.73 O ATOM 531 CB TYR A 186 41.312 2.823 9.284 1.00 10.17 C ATOM 532 CG TYR A 186 42.155 2.248 8.171 1.00 14.10 C ATOM 533 CD1 TYR A 186 42.478 0.900 8.119 1.00 12.59 C ATOM 534 CD2 TYR A 186 42.632 3.074 7.167 1.00 13.67 C ATOM 535 CE1 TYR A 186 43.243 0.387 7.074 1.00 16.62 C ATOM 536 CE2 TYR A 186 43.409 2.582 6.130 1.00 14.85 C ATOM 537 CZ TYR A 186 43.703 1.241 6.085 1.00 18.12 C ATOM 538 OH TYR A 186 44.474 0.758 5.048 1.00 27.09 O ATOM 539 HH TYR A 186 44.596 -0.218 5.156 1.00 0.00 H ATOM 540 H TYR A 186 39.645 0.913 10.064 1.00 0.00 H ATOM 541 N VAL A 187 40.000 2.791 12.557 1.00 6.99 N ATOM 542 CA VAL A 187 39.564 3.765 13.549 1.00 9.24 C ATOM 543 C VAL A 187 39.521 3.138 14.939 1.00 8.16 C ATOM 544 O VAL A 187 39.549 1.914 15.105 1.00 7.66 O ATOM 545 CB VAL A 187 38.209 4.415 13.186 1.00 7.35 C ATOM 546 CG1 VAL A 187 38.250 5.016 11.774 1.00 9.62 C ATOM 547 CG2 VAL A 187 37.062 3.413 13.342 1.00 8.41 C ATOM 548 H VAL A 187 39.548 1.855 12.516 1.00 0.00 H ATOM 549 N GLU A 188 39.488 4.011 15.949 1.00 8.03 N ATOM 550 CA GLU A 188 39.368 3.624 17.350 1.00 7.89 C ATOM 551 C GLU A 188 38.190 4.384 17.946 1.00 7.54 C ATOM 552 O GLU A 188 37.929 5.524 17.556 1.00 9.88 O ATOM 553 CB GLU A 188 40.658 4.017 18.124 1.00 9.40 C ATOM 554 CG GLU A 188 40.861 3.275 19.431 1.00 11.01 C ATOM 555 CD GLU A 188 41.363 1.867 19.200 1.00 10.54 C ATOM 556 OE1 GLU A 188 42.602 1.662 19.142 1.00 12.19 O ATOM 557 OE2 GLU A 188 40.524 0.967 19.033 1.00 10.37 O ATOM 558 H GLU A 188 39.551 5.024 15.724 1.00 0.00 H ATOM 559 N LYS A 189 37.505 3.780 18.920 1.00 8.35 N ATOM 560 CA LYS A 189 36.464 4.524 19.627 1.00 7.14 C ATOM 561 C LYS A 189 37.061 5.800 20.204 1.00 7.58 C ATOM 562 O LYS A 189 38.190 5.800 20.703 1.00 8.98 O ATOM 563 CB LYS A 189 35.890 3.698 20.776 1.00 10.41 C ATOM 564 CG LYS A 189 35.091 2.466 20.356 1.00 9.04 C ATOM 565 CD LYS A 189 34.546 1.745 21.588 1.00 10.50 C ATOM 566 CE LYS A 189 33.691 0.533 21.230 1.00 11.57 C ATOM 567 NZ LYS A 189 33.130 -0.075 22.470 1.00 13.79 N ATOM 568 HZ1 LYS A 189 33.909 -0.375 23.091 1.00 0.00 H ATOM 569 HZ2 LYS A 189 32.542 0.627 22.964 1.00 0.00 H ATOM 570 HZ3 LYS A 189 32.549 -0.900 22.218 1.00 0.00 H ATOM 571 H LYS A 189 37.710 2.792 19.173 1.00 0.00 H ATOM 572 N TYR A 190 36.311 6.899 20.129 1.00 9.45 N ATOM 573 CA TYR A 190 36.766 8.180 20.660 1.00 7.77 C ATOM 574 C TYR A 190 35.695 8.709 21.597 1.00 8.17 C ATOM 575 O TYR A 190 34.544 8.886 21.184 1.00 10.14 O ATOM 576 CB TYR A 190 37.042 9.181 19.530 1.00 7.21 C ATOM 577 CG TYR A 190 37.392 10.568 20.035 1.00 7.63 C ATOM 578 CD1 TYR A 190 38.666 10.866 20.487 1.00 8.31 C ATOM 579 CD2 TYR A 190 36.435 11.576 20.060 1.00 8.22 C ATOM 580 CE1 TYR A 190 38.977 12.122 20.950 1.00 9.47 C ATOM 581 CE2 TYR A 190 36.740 12.837 20.511 1.00 9.05 C ATOM 582 CZ TYR A 190 38.008 13.107 20.960 1.00 9.29 C ATOM 583 OH TYR A 190 38.291 14.370 21.412 1.00 10.80 O ATOM 584 HH TYR A 190 39.237 14.412 21.700 1.00 0.00 H ATOM 585 H TYR A 190 35.375 6.842 19.679 1.00 0.00 H ATOM 586 N ARG A 191 36.080 8.983 22.837 1.00 8.77 N ATOM 587 CA ARG A 191 35.123 9.356 23.869 1.00 10.10 C ATOM 588 C ARG A 191 35.664 10.442 24.794 1.00 10.88 C ATOM 589 O ARG A 191 34.878 11.152 25.437 1.00 11.60 O ATOM 590 CB ARG A 191 34.731 8.129 24.700 1.00 10.39 C ATOM 591 CG ARG A 191 33.595 8.375 25.670 1.00 12.46 C ATOM 592 CD ARG A 191 32.373 8.846 24.893 1.00 12.19 C ATOM 593 NE ARG A 191 31.248 9.234 25.740 1.00 14.48 N ATOM 594 CZ ARG A 191 31.072 10.459 26.207 1.00 14.75 C ATOM 595 NH1 ARG A 191 31.971 11.399 25.941 1.00 14.04 N ATOM 596 NH2 ARG A 191 30.005 10.747 26.937 1.00 18.47 N ATOM 597 HE ARG A 191 30.547 8.507 25.990 1.00 0.00 H ATOM 598 HH12 ARG A 191 31.838 12.364 26.306 1.00 0.00 H ATOM 599 HH11 ARG A 191 32.808 11.170 25.368 1.00 0.00 H ATOM 600 HH22 ARG A 191 29.870 11.711 27.303 1.00 0.00 H ATOM 601 HH21 ARG A 191 29.302 10.009 27.145 1.00 0.00 H ATOM 602 H ARG A 191 37.090 8.930 23.078 1.00 0.00 H TER 603 ARG A 191 HETATM 604 O HOH 1 40.643 -0.927 18.171 1.00 4.06 O HETATM 605 O HOH 2 45.933 -1.086 4.817 1.00 25.43 O HETATM 606 O HOH 3 26.385 5.066 16.056 1.00 42.28 O HETATM 607 O HOH 4 26.586 8.309 3.251 1.00 36.55 O HETATM 608 O HOH 5 29.923 -2.817 1.184 1.00 27.48 O HETATM 609 O HOH 6 27.543 18.279 9.998 1.00 27.64 O HETATM 610 O HOH 7 36.765 -0.877 -3.369 1.00 21.86 O HETATM 611 O HOH 8 25.117 -4.602 4.722 1.00 28.28 O HETATM 612 O HOH 9 46.830 14.849 1.350 1.00 18.39 O HETATM 613 O HOH 10 37.272 13.804 5.933 1.00 14.71 O HETATM 614 O HOH 11 29.326 17.235 -1.024 1.00 29.19 O HETATM 615 O HOH 12 32.202 22.507 10.311 1.00 39.44 O HETATM 616 O HOH 13 25.813 -3.968 10.612 1.00 39.08 O HETATM 617 O HOH 14 38.205 1.228 20.220 1.00 14.16 O HETATM 618 O HOH 15 43.020 6.214 -3.703 1.00 15.56 O HETATM 619 O HOH 16 38.229 17.918 8.583 1.00 16.92 O HETATM 620 O HOH 17 44.432 3.452 19.850 1.00 20.33 O HETATM 621 O HOH 18 31.262 22.361 5.389 1.00 29.94 O HETATM 622 O HOH 19 27.376 -1.914 3.410 1.00 21.47 O HETATM 623 O HOH 20 30.989 1.179 18.630 1.00 34.84 O HETATM 624 O HOH 21 41.851 -1.774 14.193 1.00 8.91 O HETATM 625 O HOH 22 26.139 17.646 5.904 1.00 27.56 O HETATM 626 O HOH 23 29.732 -7.840 14.146 1.00 17.89 O HETATM 627 O HOH 24 32.118 -5.781 6.571 1.00 11.07 O HETATM 628 O HOH 25 33.066 -11.213 13.182 1.00 16.21 O HETATM 629 O HOH 26 40.552 7.431 20.711 1.00 14.85 O HETATM 630 O HOH 27 30.293 10.251 22.325 1.00 16.03 O HETATM 631 O HOH 28 39.273 4.599 22.892 1.00 16.52 O HETATM 632 O HOH 29 49.010 8.675 3.711 1.00 31.29 O HETATM 633 O HOH 30 31.872 8.311 21.091 1.00 10.01 O HETATM 634 O HOH 31 45.627 6.376 -2.371 1.00 26.40 O HETATM 635 O HOH 32 36.233 5.509 -7.487 1.00 12.87 O HETATM 636 O HOH 33 42.089 10.981 -1.173 1.00 17.21 O HETATM 637 O HOH 34 41.392 15.542 15.694 1.00 18.25 O HETATM 638 O HOH 35 38.177 1.821 -0.171 1.00 11.28 O HETATM 639 O HOH 36 40.933 -0.180 16.261 1.00 10.71 O HETATM 640 O HOH 37 32.555 11.077 0.820 1.00 12.57 O HETATM 641 O HOH 38 43.064 16.008 12.572 1.00 26.87 O HETATM 642 O HOH 39 31.840 -3.790 13.802 1.00 19.67 O HETATM 643 O HOH 40 35.673 13.413 26.832 1.00 15.05 O HETATM 644 O HOH 41 33.519 -9.203 8.528 1.00 16.63 O HETATM 645 O HOH 42 27.853 15.333 19.870 1.00 22.15 O HETATM 646 O HOH 43 29.684 -10.147 11.744 1.00 38.29 O HETATM 647 O HOH 44 48.129 4.306 14.238 1.00 25.48 O HETATM 648 O HOH 45 44.946 15.000 12.887 1.00 28.63 O HETATM 649 O HOH 46 34.514 2.185 -7.727 1.00 24.37 O HETATM 650 O HOH 47 36.285 14.760 10.525 1.00 9.68 O HETATM 651 O HOH 48 46.990 14.088 10.158 1.00 22.18 O HETATM 652 O HOH 49 23.766 10.300 3.793 1.00 29.94 O HETATM 653 O HOH 50 26.010 8.974 16.267 1.00 19.71 O HETATM 654 O HOH 51 40.208 16.279 7.585 1.00 22.21 O HETATM 655 O HOH 52 47.895 13.009 7.682 1.00 19.07 O HETATM 656 O HOH 53 29.030 20.179 3.622 1.00 35.61 O HETATM 657 O HOH 54 26.325 0.888 17.814 1.00 37.41 O HETATM 658 O HOH 55 42.418 3.976 0.441 1.00 17.89 O HETATM 659 O HOH 56 32.790 4.718 18.665 1.00 15.57 O HETATM 660 O HOH 57 37.674 13.558 8.683 1.00 12.47 O HETATM 661 O HOH 58 38.881 16.043 13.806 1.00 12.49 O HETATM 662 O HOH 59 42.684 1.729 -5.832 1.00 21.96 O HETATM 663 O HOH 60 24.788 16.657 7.858 1.00 26.28 O HETATM 664 O HOH 61 45.083 5.538 2.013 1.00 20.70 O HETATM 665 O HOH 62 37.556 -0.156 15.399 1.00 19.21 O HETATM 666 O HOH 63 22.950 4.255 13.664 1.00 30.55 O HETATM 667 O HOH 64 20.528 15.165 5.923 1.00 28.25 O HETATM 668 O HOH 65 42.309 17.473 10.054 1.00 33.21 O HETATM 669 O HOH 66 31.548 -2.306 21.459 1.00 24.30 O HETATM 670 O HOH 67 46.637 5.764 18.525 1.00 24.33 O HETATM 671 O HOH 68 28.108 0.108 0.503 1.00 29.96 O HETATM 672 O HOH 69 38.614 -0.914 17.823 1.00 14.95 O HETATM 673 O HOH 70 33.257 4.308 -7.333 1.00 28.48 O HETATM 674 O HOH 71 23.912 1.537 13.001 1.00 18.34 O HETATM 675 O HOH 72 27.380 5.343 1.829 1.00 35.33 O HETATM 676 O HOH 73 31.554 21.194 12.426 1.00 29.66 O HETATM 677 O HOH 74 38.864 8.901 24.037 1.00 10.86 O HETATM 678 O HOH 75 42.755 11.745 3.187 1.00 30.34 O HETATM 679 O HOH 76 21.280 7.945 7.707 1.00 23.52 O HETATM 680 O HOH 77 35.758 -0.593 23.941 1.00 24.25 O HETATM 681 O HOH 78 29.731 -1.698 16.957 1.00 20.96 O HETATM 682 O HOH 79 30.984 3.864 -4.775 1.00 17.81 O HETATM 683 O HOH 80 42.259 5.323 22.376 1.00 24.22 O HETATM 684 O HOH 81 37.954 16.698 11.306 1.00 15.67 O HETATM 685 O HOH 82 27.889 9.782 -4.773 1.00 35.39 O HETATM 686 O HOH 83 30.920 4.633 -8.446 1.00 34.20 O HETATM 687 O HOH 84 28.228 -7.654 8.846 1.00 21.07 O HETATM 688 O HOH 85 43.978 2.637 2.462 1.00 26.47 O HETATM 689 O HOH 86 24.704 2.130 3.339 1.00 34.14 O HETATM 690 O HOH 87 21.768 13.434 11.894 1.00 23.40 O HETATM 691 O HOH 88 27.776 11.672 -5.556 1.00 19.12 O HETATM 692 O HOH 89 30.159 -7.820 7.471 1.00 19.72 O HETATM 693 O HOH 90 29.177 19.853 9.938 1.00 25.25 O HETATM 694 O HOH 91 47.591 6.711 16.011 1.00 27.72 O HETATM 695 O HOH 92 36.669 23.276 5.495 1.00 33.10 O HETATM 696 O HOH 93 44.387 4.407 -1.835 1.00 48.13 O HETATM 697 O HOH 94 49.899 7.153 16.462 1.00 35.40 O HETATM 698 O HOH 95 43.170 12.346 0.518 1.00 33.85 O HETATM 699 O HOH 96 22.890 13.004 16.400 1.00 27.64 O HETATM 700 O HOH 97 42.711 10.945 21.552 1.00 13.06 O HETATM 701 O HOH 98 41.128 13.767 3.585 1.00 25.35 O HETATM 702 O HOH 99 29.193 -3.324 14.110 1.00 30.93 O HETATM 703 O HOH 100 28.414 4.921 -4.898 1.00 32.35 O HETATM 704 O HOH 101 39.546 15.127 5.265 1.00 27.04 O HETATM 705 O HOH 102 28.455 20.212 -2.661 1.00 32.71 O HETATM 706 O HOH 103 37.428 -2.684 14.807 1.00 27.28 O HETATM 707 O HOH 104 42.850 -1.161 -2.019 1.00 23.90 O HETATM 708 O HOH 105 41.341 9.013 22.799 1.00 14.38 O HETATM 709 O HOH 106 40.287 -1.444 -2.394 1.00 21.49 O HETATM 710 O HOH 107 38.061 -0.766 -1.017 1.00 14.24 O HETATM 711 O HOH 108 45.483 3.940 22.375 1.00 29.76 O HETATM 712 O HOH 109 22.860 17.631 9.422 1.00 26.18 O HETATM 713 O HOH 110 33.038 -3.199 19.462 1.00 21.58 O HETATM 714 O HOH 111 35.645 0.315 16.927 1.00 39.95 O HETATM 715 O HOH 112 34.295 -7.118 5.384 1.00 13.14 O HETATM 716 O HOH 113 38.008 -3.247 0.327 1.00 13.78 O HETATM 717 O HOH 114 29.341 -11.929 3.418 1.00 43.43 O HETATM 718 O HOH 115 27.089 -12.271 3.524 1.00 30.34 O HETATM 719 O HOH 116 29.903 -9.586 -1.741 1.00 26.13 O HETATM 720 O HOH 117 20.819 -1.265 0.570 1.00 24.21 O HETATM 721 O HOH 118 49.109 0.821 14.519 1.00 31.56 O HETATM 722 O HOH 119 27.170 -5.342 3.310 1.00 23.46 O HETATM 723 O HOH 120 31.620 -10.912 -0.066 1.00 28.63 O HETATM 724 O HOH 121 48.278 -4.260 5.486 1.00 30.00 O HETATM 725 O HOH 122 20.427 -0.684 -2.144 1.00 23.28 O HETATM 726 O HOH 123 51.920 0.021 15.372 1.00 23.38 O HETATM 727 O HOH 124 34.853 -3.402 -3.467 1.00 23.88 O HETATM 728 O HOH 125 45.192 -2.315 2.093 1.00 13.68 O HETATM 729 O HOH 126 35.179 -11.745 4.181 1.00 23.90 O HETATM 730 O HOH 127 21.164 -6.923 5.421 1.00 28.22 O HETATM 731 O HOH 128 48.039 6.525 3.235 1.00 36.25 O HETATM 732 O HOH 129 33.865 -0.866 -7.561 1.00 36.35 O HETATM 733 C ACE A 130 52.456 -3.762 16.124 1.00 0.18 C HETATM 734 O ACE A 130 52.468 -4.766 15.422 1.00 -0.40 O HETATM 735 CH3 ACE A 130 53.697 -3.236 16.779 1.00 0.03 C HETATM 736 H1 ACE A 130 53.452 -2.333 17.357 1.00 0.05 H HETATM 737 H2 ACE A 130 54.441 -2.987 16.008 1.00 0.05 H HETATM 738 H3 ACE A 130 54.109 -4.002 17.453 1.00 0.05 H HETATM 739 N ACE A 130 51.340 -3.080 16.357 1.00 -0.26 N HETATM 740 CA ACE A 130 50.069 -3.484 15.769 1.00 0.14 C HETATM 741 C ACE A 130 50.124 -3.356 14.252 1.00 0.21 C HETATM 742 O ACE A 130 49.623 -4.211 13.532 1.00 -0.39 O HETATM 743 N ACE A 130 50.743 -2.279 13.775 1.00 -0.27 N HETATM 744 CA ACE A 130 50.906 -2.091 12.360 1.00 0.12 C HETATM 745 C ACE A 130 49.658 -1.521 11.725 1.00 0.20 C HETATM 746 O ACE A 130 48.744 -1.032 12.392 1.00 -0.39 O HETATM 747 N ACE A 130 49.631 -1.584 10.401 1.00 -0.26 N HETATM 748 CA ACE A 130 48.508 -1.079 9.626 1.00 0.13 C HETATM 749 C ACE A 130 47.775 -2.265 9.024 1.00 0.21 C HETATM 750 O ACE A 130 48.303 -2.904 8.099 1.00 -0.39 O HETATM 751 N ACE A 130 46.581 -2.604 9.509 1.00 -0.25 N HETATM 752 CA ACE A 130 45.882 -3.768 8.973 1.00 0.13 C HETATM 753 C ACE A 130 45.431 -3.516 7.546 1.00 0.21 C HETATM 754 O ACE A 130 45.219 -2.361 7.142 1.00 -0.39 O HETATM 755 N ACE A 130 45.269 -4.564 6.744 1.00 -0.25 N HETATM 756 CA ACE A 130 44.795 -4.361 5.372 1.00 0.13 C HETATM 757 C ACE A 130 43.362 -3.851 5.366 1.00 0.20 C HETATM 758 O ACE A 130 42.612 -4.002 6.333 1.00 -0.39 O HETATM 759 N ACE A 130 43.008 -3.193 4.269 1.00 -0.26 N HETATM 760 CA ACE A 130 41.651 -2.684 4.110 1.00 0.13 C HETATM 761 C ACE A 130 40.669 -3.846 4.063 1.00 0.21 C HETATM 762 O ACE A 130 40.906 -4.828 3.345 1.00 -0.39 O HETATM 763 N ACE A 130 39.542 -3.758 4.768 1.00 -0.25 N HETATM 764 CA ACE A 130 38.615 -4.887 4.796 1.00 0.13 C HETATM 765 C ACE A 130 37.867 -5.015 3.483 1.00 0.21 C HETATM 766 O ACE A 130 37.564 -4.008 2.820 1.00 -0.39 O HETATM 767 N ACE A 130 37.536 -6.236 3.070 1.00 -0.25 N HETATM 768 CA ACE A 130 36.623 -6.400 1.934 1.00 0.13 C HETATM 769 C ACE A 130 35.301 -5.697 2.201 1.00 0.20 C HETATM 770 O ACE A 130 34.848 -5.594 3.344 1.00 -0.39 O HETATM 771 N ACE A 130 34.687 -5.197 1.130 1.00 -0.26 N HETATM 772 CA ACE A 130 33.336 -4.647 1.203 1.00 0.13 C HETATM 773 C ACE A 130 32.345 -5.745 0.854 1.00 0.20 C HETATM 774 O ACE A 130 32.461 -6.380 -0.196 1.00 -0.39 O HETATM 775 N ACE A 130 31.374 -5.974 1.738 1.00 -0.26 N HETATM 776 CA ACE A 130 30.448 -7.070 1.495 1.00 0.13 C HETATM 777 C ACE A 130 29.339 -6.675 0.532 1.00 0.20 C HETATM 778 O ACE A 130 28.779 -7.547 -0.143 1.00 -0.39 O HETATM 779 N ACE A 130 28.991 -5.387 0.481 1.00 -0.26 N HETATM 780 CA ACE A 130 28.043 -4.845 -0.499 1.00 0.13 C HETATM 781 C ACE A 130 26.674 -5.529 -0.465 1.00 0.20 C HETATM 782 O ACE A 130 26.007 -5.657 -1.493 1.00 -0.39 O HETATM 783 N ACE A 130 26.217 -5.969 0.700 1.00 -0.26 N HETATM 784 CA ACE A 130 24.891 -6.567 0.776 1.00 0.13 C HETATM 785 C ACE A 130 23.810 -5.496 0.707 1.00 0.20 C HETATM 786 O ACE A 130 23.977 -4.384 1.208 1.00 -0.39 O HETATM 787 N ACE A 130 22.678 -5.851 0.101 1.00 -0.26 N HETATM 788 CA ACE A 130 21.527 -4.967 0.115 1.00 0.13 C HETATM 789 C ACE A 130 21.001 -4.910 1.540 1.00 0.20 C HETATM 790 O ACE A 130 20.903 -5.934 2.212 1.00 -0.39 O HETATM 791 N ACE A 130 20.692 -3.706 2.008 1.00 -0.30 N HETATM 792 H128 ACE A 130 20.341 -3.606 2.939 1.00 0.18 H HETATM 793 H129 ACE A 130 20.810 -2.899 1.429 1.00 0.18 H HETATM 794 CB ACE A 130 20.440 -5.459 -0.843 1.00 -0.01 C HETATM 795 CG ACE A 130 19.502 -4.348 -1.307 1.00 -0.04 C HETATM 796 CD ACE A 130 18.567 -4.790 -2.431 1.00 -0.01 C HETATM 797 CE ACE A 130 17.945 -3.581 -3.144 1.00 -0.04 C HETATM 798 NZ ACE A 130 18.966 -2.717 -3.829 1.00 0.22 N HETATM 799 H125 ACE A 130 18.503 -1.942 -4.278 1.00 0.20 H HETATM 800 H126 ACE A 130 19.457 -3.261 -4.520 1.00 0.20 H HETATM 801 H127 ACE A 130 19.622 -2.368 -3.148 1.00 0.20 H HETATM 802 H123 ACE A 130 17.412 -2.971 -2.400 1.00 0.08 H HETATM 803 H124 ACE A 130 17.232 -3.947 -3.898 1.00 0.08 H HETATM 804 H121 ACE A 130 17.763 -5.409 -2.006 1.00 0.03 H HETATM 805 H122 ACE A 130 19.138 -5.382 -3.161 1.00 0.03 H HETATM 806 H119 ACE A 130 20.109 -3.504 -1.667 1.00 0.03 H HETATM 807 H120 ACE A 130 18.892 -4.023 -0.451 1.00 0.03 H HETATM 808 H117 ACE A 130 19.844 -6.229 -0.331 1.00 0.03 H HETATM 809 H118 ACE A 130 20.925 -5.899 -1.727 1.00 0.03 H HETATM 810 H116 ACE A 130 21.841 -3.960 -0.197 1.00 0.08 H HETATM 811 H115 ACE A 130 22.621 -6.733 -0.367 1.00 0.19 H HETATM 812 CB ACE A 130 24.730 -7.338 2.082 1.00 -0.01 C HETATM 813 CG ACE A 130 25.802 -8.366 2.328 1.00 -0.02 C HETATM 814 CD ACE A 130 25.920 -9.327 1.156 1.00 0.06 C HETATM 815 NE ACE A 130 26.873 -10.397 1.451 1.00 -0.27 N HETATM 816 CZ ACE A 130 27.368 -11.244 0.553 1.00 0.29 C HETATM 817 NH1 ACE A 130 28.233 -12.179 0.934 1.00 -0.28 N HETATM 818 H111 ACE A 130 28.619 -12.837 0.241 1.00 0.26 H HETATM 819 H112 ACE A 130 28.518 -12.246 1.922 1.00 0.26 H HETATM 820 NH2 ACE A 130 27.010 -11.157 -0.724 1.00 -0.28 N HETATM 821 H113 ACE A 130 26.340 -10.434 -1.023 1.00 0.26 H HETATM 822 H114 ACE A 130 27.402 -11.813 -1.415 1.00 0.26 H HETATM 823 H110 ACE A 130 27.184 -10.502 2.427 1.00 0.26 H HETATM 824 H108 ACE A 130 26.263 -8.773 0.270 1.00 0.07 H HETATM 825 H109 ACE A 130 24.934 -9.770 0.953 1.00 0.07 H HETATM 826 H106 ACE A 130 25.552 -8.935 3.235 1.00 0.03 H HETATM 827 H107 ACE A 130 26.765 -7.854 2.470 1.00 0.03 H HETATM 828 H104 ACE A 130 23.758 -7.852 2.062 1.00 0.03 H HETATM 829 H105 ACE A 130 24.747 -6.617 2.913 1.00 0.03 H HETATM 830 H103 ACE A 130 24.766 -7.259 -0.070 1.00 0.08 H HETATM 831 H102 ACE A 130 26.780 -5.891 1.522 1.00 0.19 H HETATM 832 CB ACE A 130 28.631 -4.817 -1.914 1.00 -0.01 C HETATM 833 CG ACE A 130 29.875 -3.956 -2.010 1.00 -0.04 C HETATM 834 CD ACE A 130 30.412 -3.860 -3.425 1.00 -0.01 C HETATM 835 CE ACE A 130 31.524 -2.816 -3.489 1.00 -0.04 C HETATM 836 NZ ACE A 130 32.205 -2.757 -4.812 1.00 0.22 N HETATM 837 H99 ACE A 130 32.925 -2.052 -4.788 1.00 0.20 H HETATM 838 H100 ACE A 130 31.532 -2.526 -5.526 1.00 0.20 H HETATM 839 H101 ACE A 130 32.619 -3.653 -5.017 1.00 0.20 H HETATM 840 H97 ACE A 130 32.274 -3.058 -2.721 1.00 0.08 H HETATM 841 H98 ACE A 130 31.088 -1.829 -3.277 1.00 0.08 H HETATM 842 H95 ACE A 130 29.598 -3.568 -4.105 1.00 0.03 H HETATM 843 H96 ACE A 130 30.812 -4.838 -3.731 1.00 0.03 H HETATM 844 H93 ACE A 130 30.654 -4.390 -1.367 1.00 0.03 H HETATM 845 H94 ACE A 130 29.630 -2.943 -1.657 1.00 0.03 H HETATM 846 H91 ACE A 130 27.872 -4.418 -2.603 1.00 0.03 H HETATM 847 H92 ACE A 130 28.890 -5.845 -2.209 1.00 0.03 H HETATM 848 H90 ACE A 130 27.870 -3.797 -0.212 1.00 0.08 H HETATM 849 H89 ACE A 130 29.397 -4.759 1.145 1.00 0.19 H HETATM 850 CB ACE A 130 29.860 -7.571 2.811 1.00 0.00 C HETATM 851 CG ACE A 130 30.907 -7.993 3.823 1.00 0.04 C HETATM 852 CD ACE A 130 31.705 -9.192 3.372 1.00 0.17 C HETATM 853 OE1 ACE A 130 31.178 -10.076 2.686 1.00 -0.40 O HETATM 854 NE2 ACE A 130 32.983 -9.236 3.751 1.00 -0.30 N HETATM 855 H87 ACE A 130 33.559 -10.008 3.480 1.00 0.18 H HETATM 856 H88 ACE A 130 33.366 -8.497 4.306 1.00 0.18 H HETATM 857 H85 ACE A 130 30.402 -8.242 4.768 1.00 0.05 H HETATM 858 H86 ACE A 130 31.597 -7.152 3.986 1.00 0.05 H HETATM 859 H83 ACE A 130 29.215 -8.436 2.597 1.00 0.03 H HETATM 860 H84 ACE A 130 29.256 -6.764 3.252 1.00 0.03 H HETATM 861 H82 ACE A 130 31.014 -7.894 1.037 1.00 0.08 H HETATM 862 H81 ACE A 130 31.284 -5.403 2.554 1.00 0.19 H HETATM 863 CB ACE A 130 33.168 -3.487 0.220 1.00 -0.01 C HETATM 864 CG ACE A 130 33.941 -2.239 0.593 1.00 -0.04 C HETATM 865 CD ACE A 130 33.668 -1.127 -0.398 1.00 -0.01 C HETATM 866 CE ACE A 130 34.348 0.148 0.069 1.00 -0.04 C HETATM 867 NZ ACE A 130 33.911 1.276 -0.786 1.00 0.22 N HETATM 868 H78 ACE A 130 34.361 2.124 -0.479 1.00 0.20 H HETATM 869 H79 ACE A 130 32.911 1.382 -0.717 1.00 0.20 H HETATM 870 H80 ACE A 130 34.164 1.089 -1.744 1.00 0.20 H HETATM 871 H76 ACE A 130 35.439 0.031 -0.006 1.00 0.08 H HETATM 872 H77 ACE A 130 34.072 0.350 1.114 1.00 0.08 H HETATM 873 H74 ACE A 130 32.583 -0.959 -0.470 1.00 0.03 H HETATM 874 H75 ACE A 130 34.061 -1.411 -1.385 1.00 0.03 H HETATM 875 H72 ACE A 130 35.017 -2.467 0.593 1.00 0.03 H HETATM 876 H73 ACE A 130 33.635 -1.911 1.597 1.00 0.03 H HETATM 877 H70 ACE A 130 32.100 -3.229 0.170 1.00 0.03 H HETATM 878 H71 ACE A 130 33.511 -3.822 -0.770 1.00 0.03 H HETATM 879 H69 ACE A 130 33.144 -4.287 2.224 1.00 0.08 H HETATM 880 H68 ACE A 130 35.164 -5.198 0.251 1.00 0.19 H HETATM 881 CB ACE A 130 36.422 -7.918 1.858 1.00 -0.01 C HETATM 882 CG ACE A 130 37.601 -8.510 2.566 1.00 -0.03 C HETATM 883 CD ACE A 130 38.012 -7.523 3.616 1.00 0.04 C HETATM 884 H66 ACE A 130 37.529 -7.747 4.579 1.00 0.05 H HETATM 885 H67 ACE A 130 39.104 -7.517 3.746 1.00 0.05 H HETATM 886 H64 ACE A 130 38.426 -8.675 1.857 1.00 0.03 H HETATM 887 H65 ACE A 130 37.322 -9.466 3.033 1.00 0.03 H HETATM 888 H62 ACE A 130 36.395 -8.251 0.810 1.00 0.03 H HETATM 889 H63 ACE A 130 35.487 -8.208 2.359 1.00 0.03 H HETATM 890 H61 ACE A 130 37.069 -6.011 1.007 1.00 0.08 H HETATM 891 CB ACE A 130 37.653 -4.521 5.941 1.00 -0.01 C HETATM 892 CG ACE A 130 37.727 -3.032 6.007 1.00 -0.03 C HETATM 893 CD ACE A 130 39.144 -2.678 5.688 1.00 0.04 C HETATM 894 H59 ACE A 130 39.208 -1.695 5.199 1.00 0.05 H HETATM 895 H60 ACE A 130 39.767 -2.678 6.594 1.00 0.05 H HETATM 896 H57 ACE A 130 37.462 -2.680 7.015 1.00 0.03 H HETATM 897 H58 ACE A 130 37.045 -2.582 5.271 1.00 0.03 H HETATM 898 H55 ACE A 130 37.982 -4.972 6.889 1.00 0.03 H HETATM 899 H56 ACE A 130 36.629 -4.853 5.713 1.00 0.03 H HETATM 900 H54 ACE A 130 39.145 -5.827 5.010 1.00 0.08 H HETATM 901 CB ACE A 130 41.525 -1.886 2.811 1.00 -0.01 C HETATM 902 CG ACE A 130 41.750 -0.372 2.787 1.00 -0.04 C HETATM 903 CD1 ACE A 130 41.520 0.141 1.379 1.00 -0.06 C HETATM 904 H48 ACE A 130 41.680 1.229 1.355 1.00 0.02 H HETATM 905 H49 ACE A 130 40.489 -0.085 1.070 1.00 0.02 H HETATM 906 H50 ACE A 130 42.224 -0.349 0.691 1.00 0.02 H HETATM 907 CD2 ACE A 130 40.851 0.366 3.761 1.00 -0.06 C HETATM 908 H51 ACE A 130 41.025 -0.013 4.779 1.00 0.02 H HETATM 909 H52 ACE A 130 39.799 0.204 3.484 1.00 0.02 H HETATM 910 H53 ACE A 130 41.078 1.442 3.726 1.00 0.02 H HETATM 911 H47 ACE A 130 42.794 -0.174 3.070 1.00 0.03 H HETATM 912 H45 ACE A 130 40.504 -2.056 2.438 1.00 0.03 H HETATM 913 H46 ACE A 130 42.249 -2.320 2.106 1.00 0.03 H HETATM 914 H44 ACE A 130 41.408 -2.033 4.963 1.00 0.08 H HETATM 915 H43 ACE A 130 43.680 -3.045 3.543 1.00 0.19 H HETATM 916 CB ACE A 130 44.903 -5.752 4.728 1.00 -0.01 C HETATM 917 CG ACE A 130 45.020 -6.709 5.867 1.00 -0.03 C HETATM 918 CD ACE A 130 45.611 -5.968 7.033 1.00 0.04 C HETATM 919 H41 ACE A 130 45.159 -6.298 7.980 1.00 0.05 H HETATM 920 H42 ACE A 130 46.701 -6.108 7.078 1.00 0.05 H HETATM 921 H39 ACE A 130 45.675 -7.547 5.586 1.00 0.03 H HETATM 922 H40 ACE A 130 44.025 -7.095 6.135 1.00 0.03 H HETATM 923 H37 ACE A 130 45.793 -5.810 4.084 1.00 0.03 H HETATM 924 H38 ACE A 130 44.005 -5.971 4.132 1.00 0.03 H HETATM 925 H36 ACE A 130 45.437 -3.641 4.843 1.00 0.08 H HETATM 926 CB ACE A 130 44.677 -3.923 9.916 1.00 -0.01 C HETATM 927 CG ACE A 130 44.505 -2.596 10.556 1.00 -0.03 C HETATM 928 CD ACE A 130 45.864 -1.983 10.638 1.00 0.04 C HETATM 929 H34 ACE A 130 45.812 -0.891 10.520 1.00 0.05 H HETATM 930 H35 ACE A 130 46.349 -2.225 11.595 1.00 0.05 H HETATM 931 H32 ACE A 130 44.080 -2.713 11.564 1.00 0.03 H HETATM 932 H33 ACE A 130 43.840 -1.965 9.948 1.00 0.03 H HETATM 933 H30 ACE A 130 44.879 -4.693 10.675 1.00 0.03 H HETATM 934 H31 ACE A 130 43.776 -4.196 9.347 1.00 0.03 H HETATM 935 H29 ACE A 130 46.523 -4.662 9.003 1.00 0.08 H HETATM 936 CB ACE A 130 49.001 -0.151 8.521 1.00 -0.01 C HETATM 937 CG ACE A 130 47.874 0.503 7.730 1.00 -0.02 C HETATM 938 CD ACE A 130 48.401 1.614 6.837 1.00 0.06 C HETATM 939 NE ACE A 130 47.384 2.097 5.910 1.00 -0.27 N HETATM 940 CZ ACE A 130 47.310 3.347 5.460 1.00 0.29 C HETATM 941 NH1 ACE A 130 48.189 4.258 5.864 1.00 -0.28 N HETATM 942 H25 ACE A 130 48.127 5.224 5.513 1.00 0.26 H HETATM 943 H26 ACE A 130 48.932 3.998 6.528 1.00 0.26 H HETATM 944 NH2 ACE A 130 46.346 3.691 4.614 1.00 -0.28 N HETATM 945 H27 ACE A 130 45.663 2.988 4.298 1.00 0.26 H HETATM 946 H28 ACE A 130 46.282 4.661 4.273 1.00 0.26 H HETATM 947 H24 ACE A 130 46.675 1.425 5.582 1.00 0.26 H HETATM 948 H22 ACE A 130 49.255 1.231 6.259 1.00 0.07 H HETATM 949 H23 ACE A 130 48.732 2.451 7.469 1.00 0.07 H HETATM 950 H20 ACE A 130 47.141 0.925 8.433 1.00 0.03 H HETATM 951 H21 ACE A 130 47.386 -0.259 7.104 1.00 0.03 H HETATM 952 H18 ACE A 130 49.621 -0.736 7.825 1.00 0.03 H HETATM 953 H19 ACE A 130 49.611 0.642 8.978 1.00 0.03 H HETATM 954 H17 ACE A 130 47.827 -0.522 10.287 1.00 0.08 H HETATM 955 H16 ACE A 130 50.407 -1.992 9.920 1.00 0.19 H HETATM 956 H14 ACE A 130 51.131 -3.062 11.895 1.00 0.08 H HETATM 957 H15 ACE A 130 51.743 -1.398 12.186 1.00 0.08 H HETATM 958 H13 ACE A 130 51.099 -1.592 14.409 1.00 0.19 H HETATM 959 CB ACE A 130 48.943 -2.619 16.327 1.00 0.02 C HETATM 960 CG ACE A 130 47.565 -2.950 15.809 1.00 -0.05 C HETATM 961 CD1 ACE A 130 46.938 -4.136 16.155 1.00 -0.07 C HETATM 962 CE1 ACE A 130 45.654 -4.420 15.697 1.00 -0.04 C HETATM 963 CZ ACE A 130 44.999 -3.506 14.895 1.00 0.08 C HETATM 964 CE2 ACE A 130 45.605 -2.328 14.545 1.00 -0.04 C HETATM 965 CD2 ACE A 130 46.877 -2.053 15.013 1.00 -0.07 C HETATM 966 H9 ACE A 130 47.346 -1.112 14.749 1.00 0.05 H HETATM 967 H11 ACE A 130 45.092 -1.618 13.907 1.00 0.05 H HETATM 968 OH ACE A 130 43.726 -3.772 14.434 1.00 -0.34 O HETATM 969 H12 ACE A 130 43.131 -3.099 14.743 1.00 0.25 H HETATM 970 H10 ACE A 130 45.172 -5.352 15.968 1.00 0.05 H HETATM 971 H8 ACE A 130 47.452 -4.850 16.788 1.00 0.05 H HETATM 972 H6 ACE A 130 49.160 -1.571 16.073 1.00 0.05 H HETATM 973 H7 ACE A 130 48.933 -2.736 17.421 1.00 0.05 H HETATM 974 H5 ACE A 130 49.874 -4.535 16.030 1.00 0.08 H HETATM 975 H4 ACE A 130 51.373 -2.274 16.947 1.00 0.19 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 733 734 735 739 CONECT 734 733 CONECT 735 733 736 737 738 CONECT 736 735 CONECT 737 735 CONECT 738 735 CONECT 739 733 740 975 CONECT 740 739 741 959 974 CONECT 741 740 742 743 CONECT 742 741 CONECT 743 741 744 958 CONECT 744 743 745 956 957 CONECT 745 744 746 747 CONECT 746 745 CONECT 747 745 748 955 CONECT 748 747 749 936 954 CONECT 749 748 750 751 CONECT 750 749 CONECT 751 749 752 928 CONECT 752 751 753 926 935 CONECT 753 752 754 755 CONECT 754 753 CONECT 755 753 756 918 CONECT 756 755 757 916 925 CONECT 757 756 758 759 CONECT 758 757 CONECT 759 757 760 915 CONECT 760 759 761 901 914 CONECT 761 760 762 763 CONECT 762 761 CONECT 763 761 764 893 CONECT 764 763 765 891 900 CONECT 765 764 766 767 CONECT 766 765 CONECT 767 765 768 883 CONECT 768 767 769 881 890 CONECT 769 768 770 771 CONECT 770 769 CONECT 771 769 772 880 CONECT 772 771 773 863 879 CONECT 773 772 774 775 CONECT 774 773 CONECT 775 773 776 862 CONECT 776 775 777 850 861 CONECT 777 776 778 779 CONECT 778 777 CONECT 779 777 780 849 CONECT 780 779 781 832 848 CONECT 781 780 782 783 CONECT 782 781 CONECT 783 781 784 831 CONECT 784 783 785 812 830 CONECT 785 784 786 787 CONECT 786 785 CONECT 787 785 788 811 CONECT 788 787 789 794 810 CONECT 789 788 790 791 CONECT 790 789 CONECT 791 789 792 793 CONECT 792 791 CONECT 793 791 CONECT 794 788 795 808 809 CONECT 795 794 796 806 807 CONECT 796 795 797 804 805 CONECT 797 796 798 802 803 CONECT 798 797 799 800 801 CONECT 799 798 CONECT 800 798 CONECT 801 798 CONECT 802 797 CONECT 803 797 CONECT 804 796 CONECT 805 796 CONECT 806 795 CONECT 807 795 CONECT 808 794 CONECT 809 794 CONECT 810 788 CONECT 811 787 CONECT 812 784 813 828 829 CONECT 813 812 814 826 827 CONECT 814 813 815 824 825 CONECT 815 814 816 823 CONECT 816 815 817 820 CONECT 817 816 818 819 CONECT 818 817 CONECT 819 817 CONECT 820 816 821 822 CONECT 821 820 CONECT 822 820 CONECT 823 815 CONECT 824 814 CONECT 825 814 CONECT 826 813 CONECT 827 813 CONECT 828 812 CONECT 829 812 CONECT 830 784 CONECT 831 783 CONECT 832 780 833 846 847 CONECT 833 832 834 844 845 CONECT 834 833 835 842 843 CONECT 835 834 836 840 841 CONECT 836 835 837 838 839 CONECT 837 836 CONECT 838 836 CONECT 839 836 CONECT 840 835 CONECT 841 835 CONECT 842 834 CONECT 843 834 CONECT 844 833 CONECT 845 833 CONECT 846 832 CONECT 847 832 CONECT 848 780 CONECT 849 779 CONECT 850 776 851 859 860 CONECT 851 850 852 857 858 CONECT 852 851 853 854 CONECT 853 852 CONECT 854 852 855 856 CONECT 855 854 CONECT 856 854 CONECT 857 851 CONECT 858 851 CONECT 859 850 CONECT 860 850 CONECT 861 776 CONECT 862 775 CONECT 863 772 864 877 878 CONECT 864 863 865 875 876 CONECT 865 864 866 873 874 CONECT 866 865 867 871 872 CONECT 867 866 868 869 870 CONECT 868 867 CONECT 869 867 CONECT 870 867 CONECT 871 866 CONECT 872 866 CONECT 873 865 CONECT 874 865 CONECT 875 864 CONECT 876 864 CONECT 877 863 CONECT 878 863 CONECT 879 772 CONECT 880 771 CONECT 881 768 882 888 889 CONECT 882 881 883 886 887 CONECT 883 767 882 884 885 CONECT 884 883 CONECT 885 883 CONECT 886 882 CONECT 887 882 CONECT 888 881 CONECT 889 881 CONECT 890 768 CONECT 891 764 892 898 899 CONECT 892 891 893 896 897 CONECT 893 763 892 894 895 CONECT 894 893 CONECT 895 893 CONECT 896 892 CONECT 897 892 CONECT 898 891 CONECT 899 891 CONECT 900 764 CONECT 901 760 902 912 913 CONECT 902 901 903 907 911 CONECT 903 902 904 905 906 CONECT 904 903 CONECT 905 903 CONECT 906 903 CONECT 907 902 908 909 910 CONECT 908 907 CONECT 909 907 CONECT 910 907 CONECT 911 902 CONECT 912 901 CONECT 913 901 CONECT 914 760 CONECT 915 759 CONECT 916 756 917 923 924 CONECT 917 916 918 921 922 CONECT 918 755 917 919 920 CONECT 919 918 CONECT 920 918 CONECT 921 917 CONECT 922 917 CONECT 923 916 CONECT 924 916 CONECT 925 756 CONECT 926 752 927 933 934 CONECT 927 926 928 931 932 CONECT 928 751 927 929 930 CONECT 929 928 CONECT 930 928 CONECT 931 927 CONECT 932 927 CONECT 933 926 CONECT 934 926 CONECT 935 752 CONECT 936 748 937 952 953 CONECT 937 936 938 950 951 CONECT 938 937 939 948 949 CONECT 939 938 940 947 CONECT 940 939 941 944 CONECT 941 940 942 943 CONECT 942 941 CONECT 943 941 CONECT 944 940 945 946 CONECT 945 944 CONECT 946 944 CONECT 947 939 CONECT 948 938 CONECT 949 938 CONECT 950 937 CONECT 951 937 CONECT 952 936 CONECT 953 936 CONECT 954 748 CONECT 955 747 CONECT 956 744 CONECT 957 744 CONECT 958 743 CONECT 959 740 960 972 973 CONECT 960 959 961 965 CONECT 961 960 962 971 CONECT 962 961 963 970 CONECT 963 962 964 968 CONECT 964 963 965 967 CONECT 965 960 964 966 CONECT 966 965 CONECT 967 964 CONECT 968 963 969 CONECT 969 968 CONECT 970 962 CONECT 971 961 CONECT 972 959 CONECT 973 959 CONECT 974 740 CONECT 975 739 MASTER 0 0 0 0 0 0 0 0 974 1 247 5 END
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Related entries of code: 5ul6
Entries with 90% protein sequence similarity cutoff in PDBbind
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Check Database
Protein Sequence Similarity
6atv
RCSB PDB
PDBbind
15aa, >6ATV_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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PDBbind
15-mer
2z5s
RCSB PDB
PDBbind
15-mer
2z5t
RCSB PDB
PDBbind
15-mer
3b95
RCSB PDB
PDBbind
15-mer
3btr
RCSB PDB
PDBbind
15-mer
3bu6
RCSB PDB
PDBbind
15-mer
3cfs
RCSB PDB
PDBbind
15-mer
3dab
RCSB PDB
PDBbind
15-mer
3fdt
RCSB PDB
PDBbind
15-mer
3ghe
RCSB PDB
PDBbind
15-mer
3gv6
RCSB PDB
PDBbind
15-mer
3h1z
RCSB PDB
PDBbind
15-mer
3h91
RCSB PDB
PDBbind
15-mer
3hqh
RCSB PDB
PDBbind
15-mer
3jpx
RCSB PDB
PDBbind
15-mer
3l3q
RCSB PDB
PDBbind
15-mer
3l6f
RCSB PDB
PDBbind
15-mer
3m17
RCSB PDB
PDBbind
15-mer
3o6l
RCSB PDB
PDBbind
15-mer
3ql9
RCSB PDB
PDBbind
15-mer
3qlc
RCSB PDB
PDBbind
15-mer
3qo2
RCSB PDB
PDBbind
15-mer
3qxd
RCSB PDB
PDBbind
15-mer
3r93
RCSB PDB
PDBbind
15-mer
3uig
RCSB PDB
PDBbind
15-mer
3uih
RCSB PDB
PDBbind
15-mer
3uij
RCSB PDB
PDBbind
15-mer
3wp0
RCSB PDB
PDBbind
15-mer
3wsy
RCSB PDB
PDBbind
15-mer
4b4n
RCSB PDB
PDBbind
15-mer
4bxu
RCSB PDB
PDBbind
15-mer
4cy1
RCSB PDB
PDBbind
15-mer
4dma
RCSB PDB
PDBbind
15-mer
4dx9
RCSB PDB
PDBbind
15-mer
4ezo
RCSB PDB
PDBbind
15-mer
4ft2
RCSB PDB
PDBbind
15-mer
4gnf
RCSB PDB
PDBbind
15-mer
4gng
RCSB PDB
PDBbind
15-mer
4hfz
RCSB PDB
PDBbind
15-mer
4iur
RCSB PDB
PDBbind
15-mer
4iut
RCSB PDB
PDBbind
15-mer
4iuu
RCSB PDB
PDBbind
15-mer
4iuv
RCSB PDB
PDBbind
15-mer
4j8s
RCSB PDB
PDBbind
15-mer
4k0u
RCSB PDB
PDBbind
15-mer
4n3w
RCSB PDB
PDBbind
15-mer
4n5t
RCSB PDB
PDBbind
15-mer
4nb3
RCSB PDB
PDBbind
15-mer
4nmx
RCSB PDB
PDBbind
15-mer
4nw2
RCSB PDB
PDBbind
15-mer
4o36
RCSB PDB
PDBbind
15-mer
4o37
RCSB PDB
PDBbind
15-mer
4o3u
RCSB PDB
PDBbind
15-mer
4o42
RCSB PDB
PDBbind
15-mer
4o45
RCSB PDB
PDBbind
15-mer
4os1
RCSB PDB
PDBbind
15-mer
4os4
RCSB PDB
PDBbind
15-mer
4os5
RCSB PDB
PDBbind
15-mer
4os7
RCSB PDB
PDBbind
15-mer
4psx
RCSB PDB
PDBbind
15-mer
4r1e
RCSB PDB
PDBbind
15-mer
4r3s
RCSB PDB
PDBbind
15-mer
4rrv
RCSB PDB
PDBbind
15-mer
4u0a
RCSB PDB
PDBbind
15-mer
4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
5ul6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Adapter molecule crk
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
1.45(Å)
Affinity (Kd/Ki/IC50)
Kd=0.006uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) ACS Chem. Biol. Vol. 12: pp. 1199-1203
Ligand Properties
Formula
C
7
4
H
1
2
9
N
2
4
O
1
6
Molecular Weight
1610.970
Exact Mass
1610.000
No. of atoms
243
No. of bonds
247
Polar Surface Area
664.49
LOGP Value
-0.84 (
Computed with XLOGP3
)
-4.31 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 63
No. of Nitrogen and Oxygen Atoms: 40
No. of Rings: 5
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCC[NH3+])CCC[NH+]=C(N)N)CCCC[NH3+])CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C)CCC[NH+]=C(N)N)CC(C)C
InChI String
InChI=1S/C74H124N24O16/c1-43(2)40-54(94-68(110)56-22-13-37-96(56)71(113)57-23-14-38-97(57)69(111)52(20-11-35-85-74(82)83)88-60(102)42-86-62(104)53(87-44(3)99)41-45-25-27-46(100)28-26-45)70(112)98-39-15-24-58(98)72(114)95-36-12-21-55(95)67(109)93-49(18-6-9-33-77)65(107)92-51(29-30-59(78)101)66(108)90-48(17-5-8-32-76)64(106)91-50(19-10-34-84-73(80)81)63(105)89-47(61(79)103)16-4-7-31-75/h25-28,43,47-58,100H,4-24,29-42,75-77H2,1-3H3,(H2,78,101)(H2,79,103)(H,86,104)(H,87,99)(H,88,102)(H,89,105)(H,90,108)(H,91,106)(H,92,107)(H,93,109)(H,94,110)(H4,80,81,84)(H4,82,83,85)/p+5/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/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):
P46108
Q99AU3
Entrez Gene ID
NCBI Entrez Gene ID:
1398
ASD
Information of known allosteric effects of PDB entries
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