Browse entries in the PDBbind-CN Database
HEADER 5SVY_COMPLEX COMPND 5SVY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 50 SER ASP GLN THR TRP VAL GLN CYS ASP ALA CYS LEU LYS SEQRES 2 A 50 TRP ARG LYS LEU PRO ASP GLY MET ASP GLN LEU PRO GLU SEQRES 3 A 50 LYS TRP TYR CYS SER ASN ASN PRO ASP PRO GLN PHE ARG SEQRES 4 A 50 ASN CYS GLU VAL PRO GLU GLU PRO GLU ASP GLU HET ZN A 1 1 HET ALA A 160 188 ATOM 1 N SER A 0 -11.333 5.598 47.641 1.00 24.45 N ATOM 2 CA SER A 0 -12.450 5.889 46.702 1.00 22.53 C ATOM 3 C SER A 0 -11.977 5.811 45.257 1.00 21.09 C ATOM 4 O SER A 0 -10.850 6.167 44.933 1.00 22.94 O ATOM 5 CB SER A 0 -13.052 7.265 46.984 1.00 23.55 C ATOM 6 OG SER A 0 -14.190 7.493 46.176 1.00 23.37 O ATOM 7 HG SER A 0 -14.561 8.389 46.376 1.00 0.00 H ATOM 8 HN3 SER A 0 -10.572 6.293 47.499 1.00 0.00 H ATOM 9 HN2 SER A 0 -10.969 4.641 47.458 1.00 0.00 H ATOM 10 HN1 SER A 0 -11.680 5.657 48.620 1.00 0.00 H ATOM 11 N ASP A 407 -12.876 5.341 44.414 1.00 17.98 N ATOM 12 CA ASP A 407 -12.623 5.094 43.000 1.00 14.67 C ATOM 13 C ASP A 407 -13.193 6.221 42.140 1.00 12.26 C ATOM 14 O ASP A 407 -13.964 7.043 42.622 1.00 12.15 O ATOM 15 CB ASP A 407 -13.300 3.785 42.586 1.00 17.36 C ATOM 16 CG ASP A 407 -12.610 2.549 43.137 1.00 17.55 C ATOM 17 OD1 ASP A 407 -11.428 2.636 43.527 1.00 17.99 O ATOM 18 OD2 ASP A 407 -13.259 1.480 43.152 1.00 17.93 O ATOM 19 H ASP A 407 -13.826 5.133 44.782 1.00 0.00 H ATOM 20 N GLN A 408 -12.804 6.247 40.871 1.00 9.25 N ATOM 21 CA GLN A 408 -13.340 7.183 39.891 1.00 7.82 C ATOM 22 C GLN A 408 -14.533 6.558 39.182 1.00 6.74 C ATOM 23 O GLN A 408 -14.407 5.468 38.633 1.00 6.65 O ATOM 24 CB GLN A 408 -12.274 7.471 38.846 1.00 7.85 C ATOM 25 CG GLN A 408 -12.711 8.393 37.737 1.00 7.15 C ATOM 26 CD GLN A 408 -12.960 9.784 38.257 1.00 6.52 C ATOM 27 OE1 GLN A 408 -12.048 10.417 38.789 1.00 8.20 O ATOM 28 NE2 GLN A 408 -14.176 10.266 38.136 1.00 7.02 N ATOM 29 HE22 GLN A 408 -14.918 9.698 37.680 1.00 0.00 H ATOM 30 HE21 GLN A 408 -14.397 11.216 38.497 1.00 0.00 H ATOM 31 H GLN A 408 -12.081 5.566 40.561 1.00 0.00 H ATOM 32 N THR A 409 -15.667 7.247 39.155 1.00 6.67 N ATOM 33 CA THR A 409 -16.806 6.826 38.353 1.00 6.00 C ATOM 34 C THR A 409 -16.690 7.428 36.958 1.00 5.14 C ATOM 35 O THR A 409 -16.304 8.597 36.798 1.00 6.22 O ATOM 36 CB THR A 409 -18.116 7.269 38.989 1.00 8.41 C ATOM 37 OG1 THR A 409 -18.252 6.650 40.266 1.00 9.43 O ATOM 38 CG2 THR A 409 -19.313 6.889 38.169 1.00 8.67 C ATOM 39 HG1 THR A 409 -17.495 6.919 40.844 1.00 0.00 H ATOM 40 H THR A 409 -15.744 8.114 39.724 1.00 0.00 H ATOM 41 N TRP A 410 -17.036 6.615 35.972 1.00 5.17 N ATOM 42 CA TRP A 410 -17.166 7.036 34.589 1.00 4.62 C ATOM 43 C TRP A 410 -18.549 6.617 34.092 1.00 4.22 C ATOM 44 O TRP A 410 -19.094 5.604 34.517 1.00 5.69 O ATOM 45 CB TRP A 410 -16.134 6.340 33.698 1.00 5.34 C ATOM 46 CG TRP A 410 -14.704 6.427 34.101 1.00 5.00 C ATOM 47 CD1 TRP A 410 -14.128 5.831 35.180 1.00 5.55 C ATOM 48 CD2 TRP A 410 -13.642 7.069 33.379 1.00 4.94 C ATOM 49 NE1 TRP A 410 -12.775 6.054 35.176 1.00 5.54 N ATOM 50 CE2 TRP A 410 -12.450 6.824 34.089 1.00 5.76 C ATOM 51 CE3 TRP A 410 -13.577 7.822 32.202 1.00 4.83 C ATOM 52 CZ2 TRP A 410 -11.218 7.294 33.660 1.00 6.45 C ATOM 53 CZ3 TRP A 410 -12.349 8.280 31.775 1.00 5.84 C ATOM 54 CH2 TRP A 410 -11.188 8.016 32.502 1.00 6.30 C ATOM 55 HE1 TRP A 410 -12.103 5.696 35.884 1.00 0.00 H ATOM 56 H TRP A 410 -17.225 5.618 36.201 1.00 0.00 H ATOM 57 N VAL A 411 -19.074 7.385 33.143 1.00 4.37 N ATOM 58 CA VAL A 411 -20.300 7.062 32.448 1.00 4.40 C ATOM 59 C VAL A 411 -20.008 7.011 30.950 1.00 4.32 C ATOM 60 O VAL A 411 -19.194 7.780 30.437 1.00 4.40 O ATOM 61 CB VAL A 411 -21.401 8.090 32.757 1.00 5.35 C ATOM 62 CG1 VAL A 411 -21.014 9.510 32.363 1.00 5.17 C ATOM 63 CG2 VAL A 411 -22.706 7.701 32.121 1.00 6.04 C ATOM 64 H VAL A 411 -18.578 8.263 32.887 1.00 0.00 H ATOM 65 N GLN A 412 -20.674 6.117 30.240 1.00 5.13 N ATOM 66 CA GLN A 412 -20.500 6.016 28.802 1.00 5.54 C ATOM 67 C GLN A 412 -21.560 6.836 28.093 1.00 5.38 C ATOM 68 O GLN A 412 -22.753 6.739 28.390 1.00 5.65 O ATOM 69 CB GLN A 412 -20.572 4.561 28.337 1.00 5.89 C ATOM 70 CG GLN A 412 -20.257 4.422 26.859 1.00 6.91 C ATOM 71 CD GLN A 412 -20.172 3.001 26.416 1.00 7.37 C ATOM 72 OE1 GLN A 412 -21.106 2.220 26.643 1.00 8.17 O ATOM 73 NE2 GLN A 412 -19.082 2.640 25.770 1.00 8.23 N ATOM 74 HE22 GLN A 412 -18.323 3.332 25.603 1.00 0.00 H ATOM 75 HE21 GLN A 412 -18.980 1.663 25.427 1.00 0.00 H ATOM 76 H GLN A 412 -21.335 5.474 30.720 1.00 0.00 H ATOM 77 N CYS A 413 -21.134 7.651 27.137 1.00 4.75 N ATOM 78 CA CYS A 413 -22.058 8.348 26.261 1.00 4.34 C ATOM 79 C CYS A 413 -22.755 7.363 25.322 1.00 5.31 C ATOM 80 O CYS A 413 -22.099 6.614 24.599 1.00 5.34 O ATOM 81 CB CYS A 413 -21.291 9.373 25.432 1.00 3.99 C ATOM 82 SG CYS A 413 -22.355 10.264 24.247 1.00 4.50 S ATOM 83 H CYS A 413 -20.112 7.794 27.012 1.00 0.00 H ATOM 84 N ASP A 414 -24.074 7.389 25.313 1.00 6.14 N ATOM 85 CA ASP A 414 -24.853 6.494 24.477 1.00 6.70 C ATOM 86 C ASP A 414 -24.758 6.805 22.981 1.00 7.46 C ATOM 87 O ASP A 414 -25.100 5.969 22.155 1.00 9.67 O ATOM 88 CB ASP A 414 -26.306 6.500 24.945 1.00 6.94 C ATOM 89 CG ASP A 414 -26.531 5.608 26.165 1.00 7.69 C ATOM 90 OD1 ASP A 414 -26.801 4.399 25.951 1.00 10.75 O ATOM 91 OD2 ASP A 414 -26.488 6.097 27.323 1.00 6.40 O ATOM 92 H ASP A 414 -24.570 8.070 25.922 1.00 0.00 H ATOM 93 N ALA A 415 -24.299 8.006 22.637 1.00 6.89 N ATOM 94 CA ALA A 415 -24.121 8.382 21.244 1.00 6.79 C ATOM 95 C ALA A 415 -22.749 8.050 20.703 1.00 6.42 C ATOM 96 O ALA A 415 -22.651 7.450 19.641 1.00 8.24 O ATOM 97 CB ALA A 415 -24.424 9.868 21.030 1.00 7.47 C ATOM 98 H ALA A 415 -24.062 8.692 23.382 1.00 0.00 H ATOM 99 N CYS A 416 -21.693 8.468 21.391 1.00 6.43 N ATOM 100 CA CYS A 416 -20.348 8.304 20.863 1.00 6.12 C ATOM 101 C CYS A 416 -19.536 7.189 21.520 1.00 5.75 C ATOM 102 O CYS A 416 -18.444 6.867 21.052 1.00 6.48 O ATOM 103 CB CYS A 416 -19.574 9.619 20.922 1.00 5.25 C ATOM 104 SG CYS A 416 -18.943 10.069 22.586 1.00 4.62 S ATOM 105 H CYS A 416 -21.829 8.918 22.319 1.00 0.00 H ATOM 106 N LEU A 417 -20.062 6.627 22.600 1.00 5.87 N ATOM 107 CA LEU A 417 -19.461 5.488 23.311 1.00 5.90 C ATOM 108 C LEU A 417 -18.177 5.836 24.073 1.00 5.78 C ATOM 109 O LEU A 417 -17.550 4.944 24.635 1.00 5.99 O ATOM 110 CB LEU A 417 -19.265 4.275 22.393 1.00 7.24 C ATOM 111 CG LEU A 417 -20.546 3.794 21.707 1.00 9.63 C ATOM 112 CD1 LEU A 417 -20.256 2.587 20.835 1.00 10.33 C ATOM 113 CD2 LEU A 417 -21.653 3.489 22.694 1.00 12.16 C ATOM 114 H LEU A 417 -20.954 7.015 22.967 1.00 0.00 H ATOM 115 N LYS A 418 -17.831 7.114 24.183 1.00 5.32 N ATOM 116 CA LYS A 418 -16.727 7.491 25.038 1.00 4.93 C ATOM 117 C LYS A 418 -17.130 7.407 26.504 1.00 4.60 C ATOM 118 O LYS A 418 -18.271 7.666 26.876 1.00 5.85 O ATOM 119 CB LYS A 418 -16.255 8.909 24.736 1.00 4.39 C ATOM 120 CG LYS A 418 -15.602 9.069 23.401 1.00 4.74 C ATOM 121 CD LYS A 418 -15.162 10.507 23.170 1.00 5.09 C ATOM 122 CE LYS A 418 -14.610 10.726 21.788 1.00 4.75 C ATOM 123 NZ LYS A 418 -15.654 10.599 20.773 1.00 5.37 N ATOM 124 HZ1 LYS A 418 -16.066 9.645 20.818 1.00 0.00 H ATOM 125 HZ2 LYS A 418 -16.396 11.306 20.950 1.00 0.00 H ATOM 126 HZ3 LYS A 418 -15.241 10.756 19.831 1.00 0.00 H ATOM 127 H LYS A 418 -18.353 7.842 23.655 1.00 0.00 H ATOM 128 N TRP A 419 -16.147 7.098 27.336 1.00 4.72 N ATOM 129 CA TRP A 419 -16.297 7.129 28.778 1.00 4.35 C ATOM 130 C TRP A 419 -15.879 8.494 29.311 1.00 4.44 C ATOM 131 O TRP A 419 -14.807 9.000 28.967 1.00 4.77 O ATOM 132 CB TRP A 419 -15.443 6.030 29.406 1.00 4.49 C ATOM 133 CG TRP A 419 -15.908 4.645 29.031 1.00 4.24 C ATOM 134 CD1 TRP A 419 -15.497 3.901 27.969 1.00 5.53 C ATOM 135 CD2 TRP A 419 -16.910 3.870 29.691 1.00 4.71 C ATOM 136 NE1 TRP A 419 -16.161 2.708 27.924 1.00 6.92 N ATOM 137 CE2 TRP A 419 -17.036 2.661 28.976 1.00 6.57 C ATOM 138 CE3 TRP A 419 -17.700 4.058 30.833 1.00 5.15 C ATOM 139 CZ2 TRP A 419 -17.904 1.658 29.371 1.00 7.46 C ATOM 140 CZ3 TRP A 419 -18.552 3.064 31.211 1.00 5.26 C ATOM 141 CH2 TRP A 419 -18.631 1.863 30.489 1.00 6.68 C ATOM 142 HE1 TRP A 419 -16.025 1.962 27.212 1.00 0.00 H ATOM 143 H TRP A 419 -15.227 6.821 26.938 1.00 0.00 H ATOM 144 N ARG A 420 -16.732 9.061 30.167 1.00 4.33 N ATOM 145 CA ARG A 420 -16.524 10.377 30.754 1.00 4.46 C ATOM 146 C ARG A 420 -16.456 10.253 32.274 1.00 4.10 C ATOM 147 O ARG A 420 -17.329 9.645 32.894 1.00 4.25 O ATOM 148 CB ARG A 420 -17.683 11.300 30.383 1.00 4.06 C ATOM 149 CG ARG A 420 -17.857 11.529 28.899 1.00 4.34 C ATOM 150 CD ARG A 420 -16.590 11.995 28.240 1.00 4.17 C ATOM 151 NE ARG A 420 -16.846 12.511 26.899 1.00 4.08 N ATOM 152 CZ ARG A 420 -15.913 12.886 26.034 1.00 4.27 C ATOM 153 NH1 ARG A 420 -14.629 12.725 26.324 1.00 4.40 N ATOM 154 NH2 ARG A 420 -16.263 13.403 24.863 1.00 4.74 N ATOM 155 HE ARG A 420 -17.838 12.591 26.598 1.00 0.00 H ATOM 156 HH12 ARG A 420 -13.901 13.021 25.643 1.00 0.00 H ATOM 157 HH11 ARG A 420 -14.350 12.303 27.233 1.00 0.00 H ATOM 158 HH22 ARG A 420 -15.531 13.697 24.185 1.00 0.00 H ATOM 159 HH21 ARG A 420 -17.269 13.514 24.623 1.00 0.00 H ATOM 160 H ARG A 420 -17.590 8.535 30.428 1.00 0.00 H ATOM 161 N LYS A 421 -15.451 10.875 32.869 1.00 3.79 N ATOM 162 CA LYS A 421 -15.397 10.948 34.324 1.00 4.41 C ATOM 163 C LYS A 421 -16.579 11.750 34.860 1.00 4.21 C ATOM 164 O LYS A 421 -16.953 12.778 34.262 1.00 4.62 O ATOM 165 CB LYS A 421 -14.101 11.606 34.785 1.00 4.93 C ATOM 166 CG LYS A 421 -12.866 10.789 34.490 1.00 5.16 C ATOM 167 CD LYS A 421 -11.624 11.423 35.117 1.00 6.10 C ATOM 168 CE LYS A 421 -10.365 10.705 34.722 1.00 7.84 C ATOM 169 NZ LYS A 421 -9.161 11.338 35.376 1.00 9.41 N ATOM 170 HZ1 LYS A 421 -9.089 12.332 35.078 1.00 0.00 H ATOM 171 HZ2 LYS A 421 -9.265 11.291 36.410 1.00 0.00 H ATOM 172 HZ3 LYS A 421 -8.303 10.826 35.089 1.00 0.00 H ATOM 173 H LYS A 421 -14.699 11.312 32.298 1.00 0.00 H ATOM 174 N LEU A 422 -17.119 11.323 35.992 1.00 4.81 N ATOM 175 CA LEU A 422 -18.125 12.076 36.716 1.00 4.99 C ATOM 176 C LEU A 422 -17.613 12.429 38.100 1.00 6.07 C ATOM 177 O LEU A 422 -16.791 11.705 38.662 1.00 6.13 O ATOM 178 CB LEU A 422 -19.397 11.252 36.897 1.00 5.74 C ATOM 179 CG LEU A 422 -20.187 11.011 35.622 1.00 6.71 C ATOM 180 CD1 LEU A 422 -21.381 10.141 35.941 1.00 6.67 C ATOM 181 CD2 LEU A 422 -20.643 12.315 34.979 1.00 7.94 C ATOM 182 H LEU A 422 -16.808 10.409 36.378 1.00 0.00 H ATOM 183 N PRO A 423 -18.152 13.506 38.679 1.00 7.27 N ATOM 184 CA PRO A 423 -17.890 13.791 40.085 1.00 8.46 C ATOM 185 C PRO A 423 -18.329 12.628 40.966 1.00 7.36 C ATOM 186 O PRO A 423 -19.298 11.949 40.671 1.00 7.64 O ATOM 187 CB PRO A 423 -18.751 15.036 40.359 1.00 10.29 C ATOM 188 CG PRO A 423 -19.123 15.572 39.085 1.00 9.86 C ATOM 189 CD PRO A 423 -19.152 14.436 38.130 1.00 8.53 C ATOM 190 N ASP A 424 -17.625 12.431 42.072 1.00 7.20 N ATOM 191 CA ASP A 424 -17.991 11.417 43.025 1.00 7.46 C ATOM 192 C ASP A 424 -19.384 11.764 43.569 1.00 9.09 C ATOM 193 O ASP A 424 -19.748 12.930 43.756 1.00 9.71 O ATOM 194 CB ASP A 424 -17.012 11.383 44.198 1.00 6.73 C ATOM 195 CG ASP A 424 -15.586 11.056 43.823 1.00 6.93 C ATOM 196 OD1 ASP A 424 -15.274 10.696 42.676 1.00 7.91 O ATOM 197 OD2 ASP A 424 -14.735 11.165 44.724 1.00 7.13 O ATOM 198 H ASP A 424 -16.789 13.023 42.255 1.00 0.00 H ATOM 199 N GLY A 425 -20.150 10.732 43.867 1.00 9.63 N ATOM 200 CA GLY A 425 -21.441 10.941 44.493 1.00 10.79 C ATOM 201 C GLY A 425 -22.592 11.269 43.559 1.00 10.94 C ATOM 202 O GLY A 425 -23.673 11.601 44.032 1.00 10.17 O ATOM 203 H GLY A 425 -19.827 9.767 43.653 1.00 0.00 H ATOM 204 N MET A 426 -22.376 11.204 42.250 1.00 13.03 N ATOM 205 CA MET A 426 -23.456 11.316 41.274 1.00 15.58 C ATOM 206 C MET A 426 -24.135 9.958 41.165 1.00 16.32 C ATOM 207 O MET A 426 -23.849 9.178 40.237 1.00 16.80 O ATOM 208 CB MET A 426 -22.923 11.729 39.906 1.00 18.49 C ATOM 209 CG MET A 426 -22.856 13.217 39.679 1.00 20.72 C ATOM 210 SD MET A 426 -22.995 13.636 37.915 1.00 22.61 S ATOM 211 CE MET A 426 -23.626 15.302 38.055 1.00 25.04 C ATOM 212 H MET A 426 -21.403 11.069 41.908 1.00 0.00 H ATOM 213 N ASP A 427 -25.034 9.677 42.105 1.00 17.80 N ATOM 214 CA ASP A 427 -25.637 8.348 42.248 1.00 19.72 C ATOM 215 C ASP A 427 -26.990 8.211 41.553 1.00 20.01 C ATOM 216 O ASP A 427 -27.680 7.206 41.727 1.00 20.74 O ATOM 217 CB ASP A 427 -25.768 7.973 43.738 1.00 21.24 C ATOM 218 CG ASP A 427 -26.644 8.938 44.518 1.00 21.52 C ATOM 219 OD1 ASP A 427 -26.788 10.098 44.089 1.00 21.74 O ATOM 220 OD2 ASP A 427 -27.182 8.536 45.575 1.00 21.70 O ATOM 221 H ASP A 427 -25.320 10.429 42.764 1.00 0.00 H ATOM 222 N GLN A 428 -27.366 9.219 40.772 1.00 19.41 N ATOM 223 CA GLN A 428 -28.598 9.175 40.003 1.00 19.62 C ATOM 224 C GLN A 428 -28.313 9.709 38.602 1.00 17.73 C ATOM 225 O GLN A 428 -27.940 10.870 38.452 1.00 18.49 O ATOM 226 CB GLN A 428 -29.684 10.012 40.693 1.00 21.44 C ATOM 227 CG GLN A 428 -29.204 11.369 41.215 1.00 22.36 C ATOM 228 CD GLN A 428 -30.287 12.429 41.176 1.00 22.64 C ATOM 229 OE1 GLN A 428 -30.625 13.029 42.197 1.00 22.95 O ATOM 230 NE2 GLN A 428 -30.827 12.675 39.989 1.00 25.40 N ATOM 231 HE22 GLN A 428 -30.510 12.143 39.153 1.00 0.00 H ATOM 232 HE21 GLN A 428 -31.567 13.400 39.894 1.00 0.00 H ATOM 233 H GLN A 428 -26.761 10.063 40.710 1.00 0.00 H ATOM 234 N LEU A 429 -28.477 8.860 37.585 1.00 14.84 N ATOM 235 CA LEU A 429 -28.279 9.275 36.204 1.00 12.31 C ATOM 236 C LEU A 429 -29.477 8.867 35.365 1.00 11.42 C ATOM 237 O LEU A 429 -30.167 7.913 35.698 1.00 11.26 O ATOM 238 CB LEU A 429 -27.019 8.627 35.640 1.00 12.49 C ATOM 239 CG LEU A 429 -25.701 9.081 36.283 1.00 12.46 C ATOM 240 CD1 LEU A 429 -24.565 8.156 35.886 1.00 12.78 C ATOM 241 CD2 LEU A 429 -25.363 10.528 35.934 1.00 12.44 C ATOM 242 H LEU A 429 -28.753 7.877 37.784 1.00 0.00 H ATOM 243 N PRO A 430 -29.719 9.584 34.260 1.00 11.37 N ATOM 244 CA PRO A 430 -30.762 9.156 33.337 1.00 10.73 C ATOM 245 C PRO A 430 -30.454 7.802 32.721 1.00 10.31 C ATOM 246 O PRO A 430 -29.316 7.325 32.724 1.00 10.01 O ATOM 247 CB PRO A 430 -30.752 10.239 32.259 1.00 11.45 C ATOM 248 CG PRO A 430 -29.355 10.801 32.321 1.00 12.23 C ATOM 249 CD PRO A 430 -28.985 10.758 33.762 1.00 12.54 C ATOM 250 N GLU A 431 -31.489 7.167 32.190 1.00 10.32 N ATOM 251 CA GLU A 431 -31.332 5.874 31.536 1.00 10.62 C ATOM 252 C GLU A 431 -30.298 5.938 30.406 1.00 9.96 C ATOM 253 O GLU A 431 -29.404 5.095 30.321 1.00 10.52 O ATOM 254 CB GLU A 431 -32.681 5.382 30.996 1.00 12.36 C ATOM 255 CG GLU A 431 -32.601 4.166 30.065 1.00 14.57 C ATOM 256 CD GLU A 431 -32.019 2.932 30.735 1.00 14.85 C ATOM 257 OE1 GLU A 431 -32.094 2.836 31.977 1.00 15.51 O ATOM 258 OE2 GLU A 431 -31.477 2.058 30.024 1.00 15.38 O ATOM 259 H GLU A 431 -32.433 7.600 32.241 1.00 0.00 H ATOM 260 N LYS A 432 -30.460 6.929 29.538 1.00 9.45 N ATOM 261 CA LYS A 432 -29.489 7.226 28.487 1.00 8.93 C ATOM 262 C LYS A 432 -28.759 8.476 28.897 1.00 8.19 C ATOM 263 O LYS A 432 -29.378 9.391 29.441 1.00 9.21 O ATOM 264 CB LYS A 432 -30.183 7.480 27.156 1.00 10.50 C ATOM 265 CG LYS A 432 -30.954 6.292 26.639 1.00 12.86 C ATOM 266 CD LYS A 432 -30.055 5.287 25.973 1.00 14.99 C ATOM 267 CE LYS A 432 -30.857 4.141 25.362 1.00 15.39 C ATOM 268 NZ LYS A 432 -32.090 4.560 24.648 1.00 16.30 N ATOM 269 HZ1 LYS A 432 -32.723 5.052 25.311 1.00 0.00 H ATOM 270 HZ2 LYS A 432 -31.837 5.201 23.869 1.00 0.00 H ATOM 271 HZ3 LYS A 432 -32.570 3.720 24.266 1.00 0.00 H ATOM 272 H LYS A 432 -31.314 7.519 29.609 1.00 0.00 H ATOM 273 N TRP A 433 -27.458 8.523 28.647 1.00 6.48 N ATOM 274 CA TRP A 433 -26.646 9.668 29.024 1.00 5.58 C ATOM 275 C TRP A 433 -25.785 10.027 27.833 1.00 5.46 C ATOM 276 O TRP A 433 -25.323 9.158 27.122 1.00 6.70 O ATOM 277 CB TRP A 433 -25.772 9.327 30.245 1.00 5.87 C ATOM 278 CG TRP A 433 -24.994 10.471 30.813 1.00 6.03 C ATOM 279 CD1 TRP A 433 -25.366 11.264 31.864 1.00 6.95 C ATOM 280 CD2 TRP A 433 -23.715 10.961 30.384 1.00 5.51 C ATOM 281 NE1 TRP A 433 -24.408 12.207 32.113 1.00 7.08 N ATOM 282 CE2 TRP A 433 -23.377 12.034 31.225 1.00 6.02 C ATOM 283 CE3 TRP A 433 -22.809 10.578 29.383 1.00 4.83 C ATOM 284 CZ2 TRP A 433 -22.190 12.747 31.089 1.00 5.91 C ATOM 285 CZ3 TRP A 433 -21.629 11.288 29.249 1.00 4.83 C ATOM 286 CH2 TRP A 433 -21.332 12.359 30.090 1.00 5.23 C ATOM 287 HE1 TRP A 433 -24.453 12.936 32.854 1.00 0.00 H ATOM 288 H TRP A 433 -27.006 7.718 28.168 1.00 0.00 H ATOM 289 N TYR A 434 -25.567 11.317 27.629 1.00 5.38 N ATOM 290 CA TYR A 434 -24.775 11.810 26.512 1.00 4.97 C ATOM 291 C TYR A 434 -23.790 12.853 27.008 1.00 4.50 C ATOM 292 O TYR A 434 -24.028 13.531 28.023 1.00 4.73 O ATOM 293 CB TYR A 434 -25.682 12.475 25.469 1.00 5.99 C ATOM 294 CG TYR A 434 -26.793 11.579 25.024 1.00 7.00 C ATOM 295 CD1 TYR A 434 -26.581 10.652 24.010 1.00 8.39 C ATOM 296 CD2 TYR A 434 -28.045 11.637 25.615 1.00 7.74 C ATOM 297 CE1 TYR A 434 -27.574 9.815 23.590 1.00 9.92 C ATOM 298 CE2 TYR A 434 -29.068 10.784 25.191 1.00 9.64 C ATOM 299 CZ TYR A 434 -28.811 9.877 24.180 1.00 10.84 C ATOM 300 OH TYR A 434 -29.807 9.040 23.751 1.00 12.48 O ATOM 301 HH TYR A 434 -30.564 9.578 23.408 1.00 0.00 H ATOM 302 H TYR A 434 -25.978 12.004 28.293 1.00 0.00 H ATOM 303 N CYS A 435 -22.704 13.029 26.250 1.00 4.85 N ATOM 304 CA CYS A 435 -21.697 14.033 26.587 1.00 4.89 C ATOM 305 C CYS A 435 -22.323 15.389 26.857 1.00 5.32 C ATOM 306 O CYS A 435 -21.867 16.110 27.739 1.00 5.48 O ATOM 307 CB CYS A 435 -20.659 14.164 25.471 1.00 4.39 C ATOM 308 SG CYS A 435 -19.648 12.664 25.221 1.00 4.42 S ATOM 309 H CYS A 435 -22.573 12.440 25.403 1.00 0.00 H ATOM 310 N SER A 436 -23.350 15.756 26.094 1.00 6.40 N ATOM 311 CA SER A 436 -23.988 17.043 26.261 1.00 8.39 C ATOM 312 C SER A 436 -24.521 17.275 27.683 1.00 7.68 C ATOM 313 O SER A 436 -24.757 18.422 28.058 1.00 8.75 O ATOM 314 CB SER A 436 -25.107 17.173 25.249 1.00 10.89 C ATOM 315 OG SER A 436 -25.968 16.086 25.346 1.00 12.85 O ATOM 316 HG SER A 436 -26.695 16.182 24.681 1.00 0.00 H ATOM 317 H SER A 436 -23.701 15.104 25.363 1.00 0.00 H ATOM 318 N ASN A 437 -24.691 16.201 28.467 1.00 9.23 N ATOM 319 CA ASN A 437 -25.148 16.363 29.837 1.00 8.82 C ATOM 320 C ASN A 437 -24.041 16.456 30.867 1.00 8.27 C ATOM 321 O ASN A 437 -24.296 16.536 32.064 1.00 8.28 O ATOM 322 CB ASN A 437 -26.028 15.195 30.182 1.00 10.44 C ATOM 323 CG ASN A 437 -27.113 15.563 31.138 1.00 12.87 C ATOM 324 OD1 ASN A 437 -27.234 16.701 31.611 1.00 14.53 O ATOM 325 ND2 ASN A 437 -27.967 14.596 31.390 1.00 14.80 N ATOM 326 HD22 ASN A 437 -27.826 13.655 30.971 1.00 0.00 H ATOM 327 HD21 ASN A 437 -28.784 14.772 32.009 1.00 0.00 H ATOM 328 H ASN A 437 -24.495 15.250 28.094 1.00 0.00 H ATOM 329 N ASN A 438 -22.797 16.489 30.426 1.00 6.93 N ATOM 330 CA ASN A 438 -21.686 16.474 31.358 1.00 6.39 C ATOM 331 C ASN A 438 -21.664 17.727 32.232 1.00 6.55 C ATOM 332 O ASN A 438 -21.711 18.829 31.717 1.00 7.03 O ATOM 333 CB ASN A 438 -20.380 16.378 30.569 1.00 6.40 C ATOM 334 CG ASN A 438 -19.244 15.845 31.395 1.00 5.83 C ATOM 335 OD1 ASN A 438 -19.147 16.121 32.592 1.00 6.74 O ATOM 336 ND2 ASN A 438 -18.373 15.077 30.777 1.00 5.69 N ATOM 337 HD22 ASN A 438 -18.490 14.868 29.765 1.00 0.00 H ATOM 338 HD21 ASN A 438 -17.567 14.679 31.300 1.00 0.00 H ATOM 339 H ASN A 438 -22.613 16.526 29.403 1.00 0.00 H ATOM 340 N PRO A 439 -21.542 17.580 33.557 1.00 7.17 N ATOM 341 CA PRO A 439 -21.418 18.825 34.331 1.00 8.34 C ATOM 342 C PRO A 439 -20.101 19.554 34.045 1.00 8.08 C ATOM 343 O PRO A 439 -20.019 20.749 34.300 1.00 9.55 O ATOM 344 CB PRO A 439 -21.511 18.364 35.790 1.00 10.02 C ATOM 345 CG PRO A 439 -21.106 16.944 35.750 1.00 8.45 C ATOM 346 CD PRO A 439 -21.639 16.407 34.434 1.00 8.10 C ATOM 347 N ASP A 440 -19.101 18.866 33.503 1.00 7.20 N ATOM 348 CA ASP A 440 -17.833 19.515 33.159 1.00 6.93 C ATOM 349 C ASP A 440 -17.901 20.033 31.717 1.00 6.12 C ATOM 350 O ASP A 440 -17.983 19.234 30.787 1.00 5.27 O ATOM 351 CB ASP A 440 -16.688 18.514 33.297 1.00 6.52 C ATOM 352 CG ASP A 440 -15.322 19.135 33.095 1.00 6.47 C ATOM 353 OD1 ASP A 440 -15.235 20.257 32.573 1.00 7.00 O ATOM 354 OD2 ASP A 440 -14.325 18.477 33.469 1.00 7.56 O ATOM 355 H ASP A 440 -19.221 17.849 33.320 1.00 0.00 H ATOM 356 N PRO A 441 -17.864 21.361 31.517 1.00 6.95 N ATOM 357 CA PRO A 441 -17.974 21.886 30.155 1.00 7.77 C ATOM 358 C PRO A 441 -16.830 21.469 29.248 1.00 7.35 C ATOM 359 O PRO A 441 -16.979 21.597 28.047 1.00 8.42 O ATOM 360 CB PRO A 441 -17.976 23.401 30.363 1.00 9.21 C ATOM 361 CG PRO A 441 -17.259 23.599 31.650 1.00 9.69 C ATOM 362 CD PRO A 441 -17.666 22.443 32.503 1.00 8.68 C ATOM 363 N GLN A 442 -15.716 20.986 29.790 1.00 7.00 N ATOM 364 CA GLN A 442 -14.610 20.557 28.949 1.00 7.39 C ATOM 365 C GLN A 442 -14.918 19.273 28.192 1.00 7.91 C ATOM 366 O GLN A 442 -14.270 18.966 27.209 1.00 8.68 O ATOM 367 CB GLN A 442 -13.332 20.351 29.758 1.00 8.62 C ATOM 368 CG GLN A 442 -12.816 21.612 30.412 1.00 8.13 C ATOM 369 CD GLN A 442 -11.405 21.458 30.865 1.00 9.43 C ATOM 370 OE1 GLN A 442 -10.635 20.648 30.300 1.00 10.96 O ATOM 371 NE2 GLN A 442 -11.018 22.242 31.860 1.00 9.63 N ATOM 372 HE22 GLN A 442 -11.695 22.899 32.298 1.00 0.00 H ATOM 373 HE21 GLN A 442 -10.037 22.200 32.204 1.00 0.00 H ATOM 374 H GLN A 442 -15.635 20.914 30.824 1.00 0.00 H ATOM 375 N PHE A 443 -15.872 18.493 28.669 1.00 7.36 N ATOM 376 CA PHE A 443 -16.141 17.164 28.125 1.00 6.92 C ATOM 377 C PHE A 443 -17.607 17.018 27.756 1.00 6.55 C ATOM 378 O PHE A 443 -18.226 15.960 27.932 1.00 7.40 O ATOM 379 CB PHE A 443 -15.702 16.071 29.100 1.00 7.26 C ATOM 380 CG PHE A 443 -14.225 16.059 29.376 1.00 7.26 C ATOM 381 CD1 PHE A 443 -13.359 15.468 28.487 1.00 8.25 C ATOM 382 CD2 PHE A 443 -13.707 16.641 30.517 1.00 8.28 C ATOM 383 CE1 PHE A 443 -12.009 15.477 28.726 1.00 9.53 C ATOM 384 CE2 PHE A 443 -12.370 16.640 30.765 1.00 9.05 C ATOM 385 CZ PHE A 443 -11.512 16.061 29.872 1.00 9.33 C ATOM 386 H PHE A 443 -16.452 18.838 29.460 1.00 0.00 H ATOM 387 N ARG A 444 -18.156 18.097 27.227 1.00 7.24 N ATOM 388 CA ARG A 444 -19.576 18.206 26.974 1.00 7.88 C ATOM 389 C ARG A 444 -19.956 18.023 25.504 1.00 7.63 C ATOM 390 O ARG A 444 -21.116 18.167 25.125 1.00 8.71 O ATOM 391 CB ARG A 444 -20.044 19.541 27.533 1.00 9.80 C ATOM 392 CG ARG A 444 -21.476 19.618 27.872 1.00 10.45 C ATOM 393 CD ARG A 444 -21.804 20.947 28.499 1.00 8.99 C ATOM 394 NE ARG A 444 -21.585 20.992 29.933 1.00 9.32 N ATOM 395 CZ ARG A 444 -21.639 22.102 30.653 1.00 8.98 C ATOM 396 NH1 ARG A 444 -21.839 23.288 30.079 1.00 9.16 N ATOM 397 NH2 ARG A 444 -21.449 22.030 31.954 1.00 10.51 N ATOM 398 HE ARG A 444 -21.373 20.100 30.424 1.00 0.00 H ATOM 399 HH12 ARG A 444 -21.878 24.148 30.662 1.00 0.00 H ATOM 400 HH11 ARG A 444 -21.956 23.353 29.048 1.00 0.00 H ATOM 401 HH22 ARG A 444 -21.488 22.893 32.534 1.00 0.00 H ATOM 402 HH21 ARG A 444 -21.260 21.111 32.402 1.00 0.00 H ATOM 403 H ARG A 444 -17.542 18.900 26.983 1.00 0.00 H ATOM 404 N ASN A 445 -18.973 17.701 24.678 1.00 7.09 N ATOM 405 CA ASN A 445 -19.146 17.501 23.241 1.00 7.43 C ATOM 406 C ASN A 445 -18.554 16.158 22.881 1.00 5.71 C ATOM 407 O ASN A 445 -17.452 15.847 23.332 1.00 6.06 O ATOM 408 CB ASN A 445 -18.445 18.649 22.461 1.00 10.17 C ATOM 409 CG ASN A 445 -18.790 18.669 21.010 1.00 11.18 C ATOM 410 OD1 ASN A 445 -18.497 17.742 20.289 1.00 10.53 O ATOM 411 ND2 ASN A 445 -19.434 19.730 20.571 1.00 12.89 N ATOM 412 HD22 ASN A 445 -19.666 20.505 21.225 1.00 0.00 H ATOM 413 HD21 ASN A 445 -19.710 19.793 19.570 1.00 0.00 H ATOM 414 H ASN A 445 -18.019 17.583 25.076 1.00 0.00 H ATOM 415 N CYS A 446 -19.279 15.379 22.080 1.00 4.96 N ATOM 416 CA CYS A 446 -18.805 14.059 21.684 1.00 5.33 C ATOM 417 C CYS A 446 -17.475 14.091 20.952 1.00 5.67 C ATOM 418 O CYS A 446 -16.789 13.074 20.906 1.00 6.52 O ATOM 419 CB CYS A 446 -19.830 13.356 20.811 1.00 4.79 C ATOM 420 SG CYS A 446 -21.358 12.878 21.692 1.00 4.67 S ATOM 421 H CYS A 446 -20.198 15.718 21.732 1.00 0.00 H ATOM 422 N GLU A 447 -17.095 15.224 20.381 1.00 5.59 N ATOM 423 CA GLU A 447 -15.833 15.270 19.664 1.00 6.49 C ATOM 424 C GLU A 447 -14.624 15.340 20.579 1.00 5.87 C ATOM 425 O GLU A 447 -13.511 15.082 20.123 1.00 6.05 O ATOM 426 CB GLU A 447 -15.832 16.421 18.667 1.00 7.26 C ATOM 427 CG GLU A 447 -16.948 16.286 17.641 1.00 8.10 C ATOM 428 CD GLU A 447 -16.669 17.041 16.368 1.00 10.28 C ATOM 429 OE1 GLU A 447 -15.758 16.645 15.623 1.00 11.48 O ATOM 430 OE2 GLU A 447 -17.372 18.023 16.081 1.00 11.18 O ATOM 431 H GLU A 447 -17.694 16.072 20.445 1.00 0.00 H ATOM 432 N VAL A 448 -14.799 15.683 21.852 1.00 5.34 N ATOM 433 CA VAL A 448 -13.649 15.791 22.752 1.00 5.04 C ATOM 434 C VAL A 448 -13.106 14.389 23.019 1.00 4.96 C ATOM 435 O VAL A 448 -13.860 13.519 23.434 1.00 4.67 O ATOM 436 CB VAL A 448 -14.037 16.490 24.066 1.00 4.85 C ATOM 437 CG1 VAL A 448 -12.866 16.526 25.012 1.00 5.31 C ATOM 438 CG2 VAL A 448 -14.547 17.914 23.790 1.00 5.59 C ATOM 439 H VAL A 448 -15.756 15.875 22.210 1.00 0.00 H ATOM 440 N PRO A 449 -11.799 14.160 22.839 1.00 5.53 N ATOM 441 CA PRO A 449 -11.277 12.817 23.077 1.00 5.77 C ATOM 442 C PRO A 449 -11.559 12.296 24.463 1.00 5.40 C ATOM 443 O PRO A 449 -11.638 13.045 25.440 1.00 5.67 O ATOM 444 CB PRO A 449 -9.776 12.969 22.807 1.00 6.16 C ATOM 445 CG PRO A 449 -9.714 14.096 21.835 1.00 6.43 C ATOM 446 CD PRO A 449 -10.785 15.044 22.256 1.00 6.13 C ATOM 447 N GLU A 450 -11.677 10.972 24.550 1.00 6.15 N ATOM 448 CA GLU A 450 -11.810 10.291 25.824 1.00 6.25 C ATOM 449 C GLU A 450 -10.540 10.443 26.641 1.00 6.60 C ATOM 450 O GLU A 450 -9.451 10.182 26.144 1.00 6.67 O ATOM 451 CB GLU A 450 -12.084 8.803 25.565 1.00 6.92 C ATOM 452 CG GLU A 450 -12.323 7.998 26.819 1.00 7.22 C ATOM 453 CD GLU A 450 -12.613 6.568 26.476 1.00 7.55 C ATOM 454 OE1 GLU A 450 -13.728 6.264 26.020 1.00 6.98 O ATOM 455 OE2 GLU A 450 -11.715 5.718 26.656 1.00 10.04 O ATOM 456 H GLU A 450 -11.674 10.408 23.676 1.00 0.00 H ATOM 457 N GLU A 451 -10.682 10.855 27.896 1.00 7.34 N ATOM 458 CA GLU A 451 -9.565 10.972 28.825 1.00 8.37 C ATOM 459 C GLU A 451 -8.959 9.619 29.088 1.00 7.81 C ATOM 460 O GLU A 451 -9.703 8.652 29.248 1.00 8.30 O ATOM 461 CB GLU A 451 -10.063 11.440 30.195 1.00 10.90 C ATOM 462 CG GLU A 451 -10.303 12.905 30.390 1.00 13.59 C ATOM 463 CD GLU A 451 -10.412 13.224 31.871 1.00 14.89 C ATOM 464 OE1 GLU A 451 -11.511 13.602 32.320 1.00 15.31 O ATOM 465 OE2 GLU A 451 -9.400 13.074 32.592 1.00 15.69 O ATOM 466 H GLU A 451 -11.634 11.106 28.231 1.00 0.00 H ATOM 467 N PRO A 452 -7.636 9.559 29.232 1.00 8.29 N ATOM 468 CA PRO A 452 -7.009 8.316 29.625 1.00 9.62 C ATOM 469 C PRO A 452 -7.269 8.018 31.091 1.00 10.00 C ATOM 470 O PRO A 452 -7.532 8.895 31.921 1.00 10.02 O ATOM 471 CB PRO A 452 -5.530 8.592 29.360 1.00 10.52 C ATOM 472 CG PRO A 452 -5.377 10.017 29.569 1.00 10.34 C ATOM 473 CD PRO A 452 -6.646 10.629 29.059 1.00 9.56 C ATOM 474 N GLU A 453 -7.196 6.731 31.386 1.00 11.92 N ATOM 475 CA GLU A 453 -7.217 6.266 32.750 1.00 12.85 C ATOM 476 C GLU A 453 -5.860 6.468 33.369 1.00 13.71 C ATOM 477 O GLU A 453 -4.856 6.667 32.682 1.00 14.10 O ATOM 478 CB GLU A 453 -7.561 4.780 32.792 1.00 14.31 C ATOM 479 CG GLU A 453 -8.876 4.481 32.115 1.00 15.19 C ATOM 480 CD GLU A 453 -9.222 3.007 32.016 1.00 14.82 C ATOM 481 OE1 GLU A 453 -8.723 2.196 32.805 1.00 15.80 O ATOM 482 OE2 GLU A 453 -10.051 2.647 31.160 1.00 14.76 O ATOM 483 H GLU A 453 -7.122 6.037 30.615 1.00 0.00 H ATOM 484 N ASP A 454 -5.853 6.452 34.688 1.00 15.61 N ATOM 485 CA ASP A 454 -4.594 6.527 35.415 1.00 18.33 C ATOM 486 C ASP A 454 -3.721 5.282 35.125 1.00 21.04 C ATOM 487 O ASP A 454 -4.240 4.221 34.765 1.00 22.71 O ATOM 488 CB ASP A 454 -4.850 6.655 36.917 1.00 19.34 C ATOM 489 CG ASP A 454 -5.517 7.964 37.314 1.00 19.12 C ATOM 490 OD1 ASP A 454 -5.620 8.888 36.493 1.00 19.18 O ATOM 491 OD2 ASP A 454 -5.888 8.080 38.502 1.00 19.40 O ATOM 492 H ASP A 454 -6.750 6.386 35.210 1.00 0.00 H ATOM 493 N GLU A 49 -2.401 5.420 35.264 1.00 21.79 N ATOM 494 CA GLU A 49 -1.476 4.318 34.955 1.00 21.85 C ATOM 495 C GLU A 49 -1.774 3.067 35.784 1.00 22.11 C ATOM 496 O GLU A 49 -1.207 2.001 35.543 1.00 22.31 O ATOM 497 CB GLU A 49 -0.008 4.739 35.157 1.00 22.04 C ATOM 498 CG GLU A 49 0.377 4.986 36.610 1.00 23.67 C ATOM 499 CD GLU A 49 1.866 5.238 36.832 1.00 23.51 C ATOM 500 OE1 GLU A 49 2.681 4.965 35.924 1.00 23.72 O ATOM 501 OE2 GLU A 49 2.218 5.720 37.930 1.00 23.79 O ATOM 502 H GLU A 49 -2.017 6.327 35.598 1.00 0.00 H TER 503 GLU A 49 HETATM 504 ZN ZN A 1 -20.556 11.524 23.386 1.00 4.28 ZN HETATM 505 O HOH 2 -13.136 0.288 41.307 1.00 30.27 O HETATM 506 O HOH 3 -15.495 0.000 26.562 1.00 37.70 O HETATM 507 O HOH 4 -10.217 4.967 49.561 1.00 31.78 O HETATM 508 O HOH 5 -11.297 9.287 48.754 1.00 16.06 O HETATM 509 O HOH 6 -8.902 14.012 34.709 1.00 16.68 O HETATM 510 O HOH 7 -11.886 15.094 34.147 1.00 10.02 O HETATM 511 O HOH 8 -5.479 2.640 36.139 1.00 29.60 O HETATM 512 O HOH 9 -27.529 6.600 47.018 1.00 37.98 O HETATM 513 O HOH 10 -28.047 13.038 37.287 1.00 37.83 O HETATM 514 O HOH 11 -12.906 4.367 49.169 1.00 25.78 O HETATM 515 O HOH 12 -16.594 8.236 46.151 1.00 13.05 O HETATM 516 O HOH 13 -6.966 13.789 31.430 1.00 28.37 O HETATM 517 O HOH 14 -4.127 2.883 32.590 1.00 34.20 O HETATM 518 O HOH 15 -8.164 2.589 35.269 1.00 24.69 O HETATM 519 O HOH 16 -30.090 11.800 28.877 1.00 19.86 O HETATM 520 O HOH 17 -12.084 3.264 25.968 1.00 15.24 O HETATM 521 O HOH 18 -7.052 9.793 34.322 1.00 20.56 O HETATM 522 O HOH 19 -23.890 2.680 26.734 1.00 17.47 O HETATM 523 O HOH 20 -12.681 12.948 18.841 1.00 29.57 O HETATM 524 O HOH 21 -8.055 20.555 29.687 1.00 7.63 O HETATM 525 O HOH 22 -15.205 14.061 15.872 1.00 14.91 O HETATM 526 O HOH 23 -13.814 12.606 31.168 1.00 6.12 O HETATM 527 O HOH 24 -6.548 11.291 37.171 1.00 33.25 O HETATM 528 O HOH 25 -32.263 9.317 24.789 1.00 21.43 O HETATM 529 O HOH 26 -15.495 0.000 42.994 1.00 41.29 O HETATM 530 O HOH 27 -14.084 22.172 34.067 1.00 24.85 O HETATM 531 O HOH 28 -24.881 5.405 29.366 1.00 14.21 O HETATM 532 O HOH 29 -16.444 9.623 40.483 1.00 8.25 O HETATM 533 O HOH 30 -32.765 8.003 36.464 1.00 13.14 O HETATM 534 O HOH 31 -14.532 15.822 33.987 1.00 8.79 O HETATM 535 O HOH 32 -11.785 19.405 33.696 1.00 22.35 O HETATM 536 O HOH 33 -16.751 7.089 42.486 1.00 20.88 O HETATM 537 O HOH 34 -3.020 8.586 32.039 1.00 14.58 O HETATM 538 O HOH 35 -18.028 15.318 34.961 1.00 10.14 O HETATM 539 O HOH 36 -24.971 20.727 26.587 1.00 10.21 O HETATM 540 O HOH 37 5.042 5.692 38.298 1.00 29.72 O HETATM 541 O HOH 38 -20.312 9.393 40.670 1.00 12.86 O HETATM 542 O HOH 39 -11.377 0.769 32.692 1.00 7.74 O HETATM 543 O HOH 40 -7.085 11.517 25.634 1.00 15.49 O HETATM 544 O HOH 41 -13.388 11.370 28.745 1.00 5.26 O HETATM 545 O HOH 42 -15.902 14.241 32.152 1.00 5.92 O HETATM 546 O HOH 43 -25.657 3.270 22.482 1.00 24.67 O HETATM 547 O HOH 44 -18.824 23.181 26.706 1.00 16.96 O HETATM 548 O HOH 45 -23.929 13.246 46.261 1.00 11.25 O HETATM 549 O HOH 46 -14.679 4.414 24.171 1.00 20.38 O HETATM 550 O HOH 47 -13.322 18.900 36.033 1.00 49.72 O HETATM 551 O HOH 48 -10.324 5.884 29.070 1.00 10.16 O HETATM 552 O HOH 49 -21.273 15.234 43.349 1.00 26.14 O HETATM 553 O HOH 50 -27.950 3.564 28.459 1.00 17.27 O HETATM 554 O HOH 51 -24.680 14.298 33.993 1.00 14.51 O HETATM 555 O HOH 52 -24.977 18.520 33.966 1.00 18.03 O HETATM 556 O HOH 53 -28.523 10.827 46.578 1.00 28.52 O HETATM 557 O HOH 54 -9.432 9.822 37.843 1.00 19.50 O HETATM 558 O HOH 55 -19.311 8.040 43.438 1.00 29.14 O HETATM 559 O HOH 56 -15.884 5.743 21.629 1.00 17.62 O HETATM 560 O HOH 57 -20.528 21.805 22.204 1.00 19.31 O HETATM 561 O HOH 58 -17.129 20.281 25.510 1.00 14.64 O HETATM 562 O HOH 59 -8.906 8.941 23.592 1.00 22.45 O HETATM 563 O HOH 60 -22.953 18.957 23.039 1.00 24.97 O HETATM 564 O HOH 61 -12.026 17.127 18.678 1.00 21.72 O HETATM 565 O HOH 62 -21.928 16.571 21.627 1.00 19.35 O HETATM 566 O HOH 63 -30.867 14.665 32.058 1.00 34.57 O HETATM 567 O HOH 64 -5.912 5.039 29.261 1.00 23.40 O HETATM 568 O HOH 65 -32.922 8.684 29.474 1.00 12.91 O HETATM 569 O HOH 66 2.667 1.874 35.461 1.00 50.24 O HETATM 570 O HOH 67 -9.938 12.714 37.975 1.00 25.69 O HETATM 571 O HOH 68 -16.290 2.362 23.543 1.00 35.97 O HETATM 572 O HOH 69 -24.252 4.851 19.310 1.00 35.00 O HETATM 573 O HOH 70 -6.465 11.764 32.439 1.00 41.58 O HETATM 574 O HOH 71 -13.893 13.423 37.931 1.00 20.94 O HETATM 575 O HOH 72 -14.913 21.408 25.252 1.00 43.29 O HETATM 576 O HOH 73 -29.894 9.158 47.256 1.00 35.53 O HETATM 577 O HOH 74 -13.957 12.897 40.149 1.00 25.12 O HETATM 578 O HOH 75 -18.285 22.569 21.920 1.00 27.21 O HETATM 579 O HOH 76 -8.769 7.464 36.248 1.00 17.31 O HETATM 580 O HOH 77 -27.233 13.545 34.642 1.00 24.61 O HETATM 581 O HOH 78 -15.658 15.228 36.406 1.00 26.58 O HETATM 582 O HOH 79 -23.105 5.693 40.039 1.00 37.35 O HETATM 583 O HOH 80 -7.949 4.805 28.380 1.00 30.15 O HETATM 584 O HOH 81 -10.065 17.211 33.716 1.00 22.44 O HETATM 585 O HOH 82 -17.572 17.882 36.773 1.00 24.51 O HETATM 586 O HOH 83 -31.333 13.849 29.878 1.00 26.65 O HETATM 587 O HOH 84 -32.474 11.623 28.978 1.00 54.47 O HETATM 588 O HOH 85 -32.396 10.390 27.201 1.00 20.98 O HETATM 589 O HOH 86 -23.102 21.720 25.311 1.00 18.60 O HETATM 590 O HOH 87 -19.432 21.907 24.347 1.00 28.64 O HETATM 591 O HOH 88 -29.180 6.154 48.474 1.00 40.44 O HETATM 592 O HOH 89 -24.292 20.827 35.051 1.00 28.23 O HETATM 593 O HOH 90 -15.469 4.179 19.369 1.00 37.18 O HETATM 594 O HOH 91 -11.734 14.600 36.852 1.00 11.85 O HETATM 595 O HOH 92 -19.289 19.134 38.550 1.00 26.43 O HETATM 596 O HOH 93 -18.727 24.159 20.114 1.00 18.86 O HETATM 597 O HOH 94 -4.832 9.791 25.608 1.00 21.22 O HETATM 598 O HOH 95 -11.591 17.396 37.406 1.00 31.85 O HETATM 599 O HOH 96 -3.288 6.130 27.891 1.00 29.09 O HETATM 600 O HOH 97 -2.914 8.143 27.099 1.00 17.40 O HETATM 601 O HOH 98 -9.124 5.887 38.136 1.00 17.76 O HETATM 602 O HOH 99 -6.478 13.435 43.562 1.00 26.82 O HETATM 603 O HOH 100 -29.084 2.531 32.313 1.00 22.51 O HETATM 604 O HOH 101 -21.078 0.381 39.138 1.00 20.62 O HETATM 605 O HOH 102 -22.023 3.726 39.153 1.00 15.54 O HETATM 606 O HOH 103 -12.239 4.991 30.890 1.00 7.89 O HETATM 607 O HOH 104 -25.127 2.932 36.254 1.00 18.68 O HETATM 608 O HOH 105 -23.813 0.351 34.295 1.00 23.59 O HETATM 609 O HOH 106 -22.062 -0.291 36.825 1.00 16.70 O HETATM 610 O HOH 107 -1.239 8.188 46.637 1.00 35.30 O HETATM 611 O HOH 108 -27.557 1.573 30.512 1.00 35.76 O HETATM 612 O HOH 109 -23.154 1.728 40.505 1.00 26.76 O HETATM 613 N ALA A 110 -28.006 4.863 33.020 1.00 0.24 N HETATM 614 CA ALA A 110 -26.775 5.058 32.225 1.00 0.06 C HETATM 615 C ALA A 110 -25.805 3.932 32.526 1.00 0.23 C HETATM 616 O ALA A 110 -25.884 3.311 33.579 1.00 -0.39 O HETATM 617 N ALA A 110 -24.896 3.686 31.594 1.00 -0.26 N HETATM 618 CA ALA A 110 -23.851 2.691 31.787 1.00 0.13 C HETATM 619 C ALA A 110 -22.672 3.332 32.491 1.00 0.20 C HETATM 620 O ALA A 110 -22.121 4.308 32.003 1.00 -0.39 O HETATM 621 N ALA A 110 -22.302 2.792 33.656 1.00 -0.26 N HETATM 622 CA ALA A 110 -21.216 3.346 34.433 1.00 0.16 C HETATM 623 C ALA A 110 -20.196 2.273 34.798 1.00 0.21 C HETATM 624 O ALA A 110 -20.452 1.061 34.689 1.00 -0.39 O HETATM 625 N ALA A 110 -19.029 2.736 35.226 1.00 -0.26 N HETATM 626 CA ALA A 110 -18.006 1.884 35.751 1.00 0.13 C HETATM 627 CB ALA A 110 -17.052 1.358 34.673 1.00 -0.01 C HETATM 628 CG ALA A 110 -16.176 2.442 34.061 1.00 -0.04 C HETATM 629 CD ALA A 110 -15.232 1.918 32.991 1.00 -0.01 C HETATM 630 CE ALA A 110 -14.349 3.018 32.432 1.00 -0.03 C HETATM 631 NZ ALA A 110 -13.236 2.513 31.624 1.00 0.22 N HETATM 632 CM ALA A 110 -13.666 1.807 30.449 1.00 -0.04 C HETATM 633 H40 ALA A 110 -12.786 1.456 29.890 1.00 0.08 H HETATM 634 H41 ALA A 110 -14.260 2.480 29.813 1.00 0.08 H HETATM 635 H42 ALA A 110 -14.281 0.944 30.744 1.00 0.08 H HETATM 636 H38 ALA A 110 -12.686 1.887 32.191 1.00 0.20 H HETATM 637 H39 ALA A 110 -12.667 3.294 31.338 1.00 0.20 H HETATM 638 H36 ALA A 110 -13.937 3.596 33.272 1.00 0.08 H HETATM 639 H37 ALA A 110 -14.967 3.676 31.803 1.00 0.08 H HETATM 640 H34 ALA A 110 -15.826 1.487 32.172 1.00 0.03 H HETATM 641 H35 ALA A 110 -14.594 1.137 33.431 1.00 0.03 H HETATM 642 H32 ALA A 110 -15.577 2.900 34.861 1.00 0.03 H HETATM 643 H33 ALA A 110 -16.828 3.204 33.609 1.00 0.03 H HETATM 644 H30 ALA A 110 -17.650 0.899 33.872 1.00 0.03 H HETATM 645 H31 ALA A 110 -16.400 0.597 35.126 1.00 0.03 H HETATM 646 C ALA A 110 -17.215 2.650 36.775 1.00 0.20 C HETATM 647 O ALA A 110 -17.239 3.886 36.798 1.00 -0.39 O HETATM 648 N ALA A 110 -16.472 1.919 37.597 1.00 -0.26 N HETATM 649 CA ALA A 110 -15.503 2.495 38.505 1.00 0.13 C HETATM 650 C ALA A 110 -14.107 2.000 38.157 1.00 0.20 C HETATM 651 O ALA A 110 -13.926 0.847 37.756 1.00 -0.39 O HETATM 652 N ALA A 110 -13.127 2.884 38.312 1.00 -0.26 N HETATM 653 CA ALA A 110 -11.720 2.534 38.172 1.00 0.16 C HETATM 654 C ALA A 110 -10.934 3.035 39.376 1.00 0.21 C HETATM 655 O ALA A 110 -11.309 4.000 40.036 1.00 -0.39 O HETATM 656 N ALA A 110 -9.835 2.351 39.657 1.00 -0.26 N HETATM 657 CA ALA A 110 -8.940 2.731 40.741 1.00 0.13 C HETATM 658 C ALA A 110 -8.385 4.134 40.566 1.00 0.20 C HETATM 659 O ALA A 110 -8.011 4.519 39.469 1.00 -0.39 O HETATM 660 N ALA A 110 -8.347 4.890 41.662 1.00 -0.26 N HETATM 661 CA ALA A 110 -7.780 6.239 41.691 1.00 0.13 C HETATM 662 C ALA A 110 -6.813 6.334 42.884 1.00 0.20 C HETATM 663 O ALA A 110 -7.224 6.557 44.025 1.00 -0.39 O HETATM 664 N ALA A 110 -5.521 6.187 42.598 1.00 -0.26 N HETATM 665 CA ALA A 110 -4.501 6.048 43.635 1.00 0.13 C HETATM 666 C ALA A 110 -4.390 7.312 44.481 1.00 0.20 C HETATM 667 O ALA A 110 -4.054 7.250 45.665 1.00 -0.39 O HETATM 668 N ALA A 110 -4.668 8.458 43.865 1.00 -0.26 N HETATM 669 CA ALA A 110 -4.604 9.732 44.575 1.00 0.15 C HETATM 670 C ALA A 110 -5.638 9.797 45.703 1.00 0.21 C HETATM 671 O ALA A 110 -5.591 10.697 46.539 1.00 -0.39 O HETATM 672 N ALA A 110 -6.570 8.846 45.712 1.00 -0.27 N HETATM 673 CA ALA A 110 -7.564 8.748 46.773 1.00 0.12 C HETATM 674 C ALA A 110 -7.724 7.297 47.205 1.00 0.06 C HETATM 675 O ALA A 110 -6.763 6.524 47.168 1.00 -0.57 O HETATM 676 OXT ALA A 110 -8.816 6.878 47.597 1.00 -0.57 O HETATM 677 CB ALA A 110 -8.927 9.288 46.310 1.00 0.09 C HETATM 678 OG1 ALA A 110 -9.451 8.452 45.266 1.00 -0.39 O HETATM 679 H97 ALA A 110 -9.558 7.567 45.594 1.00 0.21 H HETATM 680 CG2 ALA A 110 -8.791 10.716 45.804 1.00 -0.04 C HETATM 681 H98 ALA A 110 -9.775 11.085 45.478 1.00 0.03 H HETATM 682 H99 ALA A 110 -8.091 10.739 44.956 1.00 0.03 H HETATM 683 H100 ALA A 110 -8.409 11.357 46.612 1.00 0.03 H HETATM 684 H96 ALA A 110 -9.623 9.277 47.162 1.00 0.06 H HETATM 685 H95 ALA A 110 -7.220 9.343 47.632 1.00 0.08 H HETATM 686 H94 ALA A 110 -6.588 8.178 44.968 1.00 0.19 H HETATM 687 CB ALA A 110 -4.812 10.898 43.607 1.00 0.08 C HETATM 688 OG ALA A 110 -6.158 10.959 43.163 1.00 -0.39 O HETATM 689 H93 ALA A 110 -6.260 11.690 42.565 1.00 0.21 H HETATM 690 H91 ALA A 110 -4.152 10.765 42.737 1.00 0.06 H HETATM 691 H92 ALA A 110 -4.559 11.839 44.118 1.00 0.06 H HETATM 692 H90 ALA A 110 -3.603 9.825 45.020 1.00 0.08 H HETATM 693 H89 ALA A 110 -4.925 8.447 42.899 1.00 0.19 H HETATM 694 CB ALA A 110 -3.129 5.721 43.026 1.00 -0.01 C HETATM 695 CG ALA A 110 -3.146 4.817 41.792 1.00 -0.04 C HETATM 696 CD ALA A 110 -3.344 5.607 40.496 1.00 -0.01 C HETATM 697 CE ALA A 110 -2.438 5.122 39.381 1.00 -0.04 C HETATM 698 NZ ALA A 110 -1.209 5.950 39.323 1.00 0.22 N HETATM 699 H86 ALA A 110 -0.615 5.618 38.579 1.00 0.20 H HETATM 700 H87 ALA A 110 -0.717 5.883 40.200 1.00 0.20 H HETATM 701 H88 ALA A 110 -1.459 6.911 39.150 1.00 0.20 H HETATM 702 H84 ALA A 110 -2.971 5.195 38.422 1.00 0.08 H HETATM 703 H85 ALA A 110 -2.161 4.074 39.568 1.00 0.08 H HETATM 704 H82 ALA A 110 -3.127 6.668 40.692 1.00 0.03 H HETATM 705 H83 ALA A 110 -4.390 5.500 40.173 1.00 0.03 H HETATM 706 H80 ALA A 110 -3.968 4.094 41.895 1.00 0.03 H HETATM 707 H81 ALA A 110 -2.189 4.278 41.735 1.00 0.03 H HETATM 708 H78 ALA A 110 -2.526 5.224 43.800 1.00 0.03 H HETATM 709 H79 ALA A 110 -2.651 6.670 42.742 1.00 0.03 H HETATM 710 H77 ALA A 110 -4.796 5.216 44.292 1.00 0.08 H HETATM 711 H76 ALA A 110 -5.239 6.171 41.639 1.00 0.19 H HETATM 712 CB ALA A 110 -8.914 7.275 41.785 1.00 -0.01 C HETATM 713 CG ALA A 110 -8.505 8.728 41.583 1.00 -0.02 C HETATM 714 CD ALA A 110 -9.744 9.622 41.556 1.00 0.06 C HETATM 715 NE ALA A 110 -10.520 9.483 42.781 1.00 -0.27 N HETATM 716 CZ ALA A 110 -11.799 9.826 42.928 1.00 0.29 C HETATM 717 NH1 ALA A 110 -12.502 10.360 41.933 1.00 -0.28 N HETATM 718 H72 ALA A 110 -13.489 10.614 42.079 1.00 0.26 H HETATM 719 H73 ALA A 110 -12.059 10.519 41.017 1.00 0.26 H HETATM 720 NH2 ALA A 110 -12.371 9.654 44.118 1.00 -0.28 N HETATM 721 H74 ALA A 110 -11.833 9.241 44.893 1.00 0.26 H HETATM 722 H75 ALA A 110 -13.352 9.934 44.263 1.00 0.26 H HETATM 723 H71 ALA A 110 -10.040 9.087 43.602 1.00 0.26 H HETATM 724 H69 ALA A 110 -10.373 9.338 40.699 1.00 0.07 H HETATM 725 H70 ALA A 110 -9.428 10.670 41.448 1.00 0.07 H HETATM 726 H67 ALA A 110 -7.965 8.825 40.630 1.00 0.03 H HETATM 727 H68 ALA A 110 -7.849 9.040 42.409 1.00 0.03 H HETATM 728 H65 ALA A 110 -9.368 7.188 42.783 1.00 0.03 H HETATM 729 H66 ALA A 110 -9.663 7.026 41.019 1.00 0.03 H HETATM 730 H64 ALA A 110 -7.218 6.418 40.763 1.00 0.08 H HETATM 731 H63 ALA A 110 -8.726 4.516 42.509 1.00 0.19 H HETATM 732 CB ALA A 110 -7.795 1.747 40.831 1.00 -0.02 C HETATM 733 H60 ALA A 110 -7.123 2.040 41.651 1.00 0.03 H HETATM 734 H61 ALA A 110 -7.237 1.746 39.883 1.00 0.03 H HETATM 735 H62 ALA A 110 -8.192 0.739 41.024 1.00 0.03 H HETATM 736 H59 ALA A 110 -9.508 2.700 41.682 1.00 0.08 H HETATM 737 H58 ALA A 110 -9.613 1.547 39.106 1.00 0.19 H HETATM 738 CB ALA A 110 -11.101 3.110 36.897 1.00 0.09 C HETATM 739 OG1 ALA A 110 -11.180 4.534 36.935 1.00 -0.39 O HETATM 740 H54 ALA A 110 -10.706 4.856 37.693 1.00 0.21 H HETATM 741 CG2 ALA A 110 -11.820 2.604 35.673 1.00 -0.03 C HETATM 742 H55 ALA A 110 -11.356 3.032 34.772 1.00 0.03 H HETATM 743 H56 ALA A 110 -12.877 2.904 35.719 1.00 0.03 H HETATM 744 H57 ALA A 110 -11.751 1.507 35.635 1.00 0.03 H HETATM 745 H53 ALA A 110 -10.045 2.806 36.843 1.00 0.06 H HETATM 746 H52 ALA A 110 -11.643 1.438 38.130 1.00 0.08 H HETATM 747 H51 ALA A 110 -13.366 3.829 38.534 1.00 0.19 H HETATM 748 CB ALA A 110 -15.811 2.134 39.949 1.00 0.00 C HETATM 749 CG ALA A 110 -16.934 2.961 40.556 1.00 0.04 C HETATM 750 CD ALA A 110 -18.320 2.626 40.035 1.00 0.17 C HETATM 751 OE1 ALA A 110 -18.695 1.460 39.898 1.00 -0.40 O HETATM 752 NE2 ALA A 110 -19.100 3.662 39.765 1.00 -0.30 N HETATM 753 H49 ALA A 110 -20.026 3.514 39.418 1.00 0.18 H HETATM 754 H50 ALA A 110 -18.763 4.593 39.908 1.00 0.18 H HETATM 755 H47 ALA A 110 -16.734 4.021 40.341 1.00 0.05 H HETATM 756 H48 ALA A 110 -16.929 2.800 41.644 1.00 0.05 H HETATM 757 H45 ALA A 110 -14.902 2.289 40.548 1.00 0.03 H HETATM 758 H46 ALA A 110 -16.099 1.073 39.989 1.00 0.03 H HETATM 759 H44 ALA A 110 -15.532 3.590 38.400 1.00 0.08 H HETATM 760 H43 ALA A 110 -16.587 0.926 37.589 1.00 0.19 H HETATM 761 H29 ALA A 110 -18.488 1.023 36.237 1.00 0.08 H HETATM 762 H28 ALA A 110 -18.857 3.720 35.180 1.00 0.19 H HETATM 763 CB ALA A 110 -21.715 4.025 35.726 1.00 0.09 C HETATM 764 OG1 ALA A 110 -22.367 3.049 36.536 1.00 -0.39 O HETATM 765 H24 ALA A 110 -22.678 3.458 37.335 1.00 0.21 H HETATM 766 CG2 ALA A 110 -22.640 5.187 35.434 1.00 -0.03 C HETATM 767 H25 ALA A 110 -22.970 5.640 36.381 1.00 0.03 H HETATM 768 H26 ALA A 110 -23.516 4.827 34.875 1.00 0.03 H HETATM 769 H27 ALA A 110 -22.106 5.939 34.835 1.00 0.03 H HETATM 770 H23 ALA A 110 -20.844 4.412 36.274 1.00 0.06 H HETATM 771 H22 ALA A 110 -20.715 4.106 33.816 1.00 0.08 H HETATM 772 H21 ALA A 110 -22.787 1.987 33.998 1.00 0.19 H HETATM 773 CB ALA A 110 -23.412 2.121 30.453 1.00 -0.01 C HETATM 774 CG ALA A 110 -22.524 0.959 30.600 1.00 -0.02 C HETATM 775 CD ALA A 110 -21.981 0.587 29.280 1.00 0.06 C HETATM 776 NE ALA A 110 -21.278 -0.674 29.352 1.00 -0.27 N HETATM 777 CZ ALA A 110 -20.755 -1.246 28.304 1.00 0.29 C HETATM 778 NH1 ALA A 110 -20.931 -0.666 27.125 1.00 -0.28 N HETATM 779 H17 ALA A 110 -20.531 -1.092 26.277 1.00 0.26 H HETATM 780 H18 ALA A 110 -21.468 0.210 27.057 1.00 0.26 H HETATM 781 NH2 ALA A 110 -20.164 -2.423 28.414 1.00 -0.28 N HETATM 782 H19 ALA A 110 -20.040 -2.852 29.342 1.00 0.26 H HETATM 783 H20 ALA A 110 -19.828 -2.911 27.572 1.00 0.26 H HETATM 784 H16 ALA A 110 -21.187 -1.139 30.267 1.00 0.26 H HETATM 785 H14 ALA A 110 -21.285 1.369 28.943 1.00 0.07 H HETATM 786 H15 ALA A 110 -22.809 0.498 28.561 1.00 0.07 H HETATM 787 H12 ALA A 110 -23.092 0.113 31.015 1.00 0.03 H HETATM 788 H13 ALA A 110 -21.697 1.213 31.279 1.00 0.03 H HETATM 789 H10 ALA A 110 -22.878 2.904 29.894 1.00 0.03 H HETATM 790 H11 ALA A 110 -24.305 1.813 29.890 1.00 0.03 H HETATM 791 H9 ALA A 110 -24.243 1.875 32.411 1.00 0.08 H HETATM 792 H8 ALA A 110 -24.929 4.197 30.735 1.00 0.19 H HETATM 793 CB ALA A 110 -26.154 6.387 32.564 1.00 -0.00 C HETATM 794 H5 ALA A 110 -25.239 6.526 31.970 1.00 0.03 H HETATM 795 H6 ALA A 110 -25.903 6.412 33.635 1.00 0.03 H HETATM 796 H7 ALA A 110 -26.866 7.194 32.335 1.00 0.03 H HETATM 797 H4 ALA A 110 -27.027 5.042 31.154 1.00 0.11 H HETATM 798 H1 ALA A 110 -28.654 5.609 32.824 1.00 0.20 H HETATM 799 H2 ALA A 110 -27.776 4.867 34.002 1.00 0.20 H HETATM 800 H3 ALA A 110 -28.427 3.980 32.777 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 82 81 504 CONECT 104 103 504 CONECT 308 307 504 CONECT 420 419 504 CONECT 504 82 104 308 420 CONECT 613 614 798 799 800 CONECT 614 613 615 793 797 CONECT 615 614 616 617 CONECT 616 615 CONECT 617 615 618 792 CONECT 618 617 619 773 791 CONECT 619 618 620 621 CONECT 620 619 CONECT 621 619 622 772 CONECT 622 621 623 763 771 CONECT 623 622 624 625 CONECT 624 623 CONECT 625 623 626 762 CONECT 626 625 627 646 761 CONECT 627 626 628 644 645 CONECT 628 627 629 642 643 CONECT 629 628 630 640 641 CONECT 630 629 631 638 639 CONECT 631 630 632 636 637 CONECT 632 631 633 634 635 CONECT 633 632 CONECT 634 632 CONECT 635 632 CONECT 636 631 CONECT 637 631 CONECT 638 630 CONECT 639 630 CONECT 640 629 CONECT 641 629 CONECT 642 628 CONECT 643 628 CONECT 644 627 CONECT 645 627 CONECT 646 626 647 648 CONECT 647 646 CONECT 648 646 649 760 CONECT 649 648 650 748 759 CONECT 650 649 651 652 CONECT 651 650 CONECT 652 650 653 747 CONECT 653 652 654 738 746 CONECT 654 653 655 656 CONECT 655 654 CONECT 656 654 657 737 CONECT 657 656 658 732 736 CONECT 658 657 659 660 CONECT 659 658 CONECT 660 658 661 731 CONECT 661 660 662 712 730 CONECT 662 661 663 664 CONECT 663 662 CONECT 664 662 665 711 CONECT 665 664 666 694 710 CONECT 666 665 667 668 CONECT 667 666 CONECT 668 666 669 693 CONECT 669 668 670 687 692 CONECT 670 669 671 672 CONECT 671 670 CONECT 672 670 673 686 CONECT 673 672 674 677 685 CONECT 674 673 675 676 CONECT 675 674 CONECT 676 674 CONECT 677 673 678 680 684 CONECT 678 677 679 CONECT 679 678 CONECT 680 677 681 682 683 CONECT 681 680 CONECT 682 680 CONECT 683 680 CONECT 684 677 CONECT 685 673 CONECT 686 672 CONECT 687 669 688 690 691 CONECT 688 687 689 CONECT 689 688 CONECT 690 687 CONECT 691 687 CONECT 692 669 CONECT 693 668 CONECT 694 665 695 708 709 CONECT 695 694 696 706 707 CONECT 696 695 697 704 705 CONECT 697 696 698 702 703 CONECT 698 697 699 700 701 CONECT 699 698 CONECT 700 698 CONECT 701 698 CONECT 702 697 CONECT 703 697 CONECT 704 696 CONECT 705 696 CONECT 706 695 CONECT 707 695 CONECT 708 694 CONECT 709 694 CONECT 710 665 CONECT 711 664 CONECT 712 661 713 728 729 CONECT 713 712 714 726 727 CONECT 714 713 715 724 725 CONECT 715 714 716 723 CONECT 716 715 717 720 CONECT 717 716 718 719 CONECT 718 717 CONECT 719 717 CONECT 720 716 721 722 CONECT 721 720 CONECT 722 720 CONECT 723 715 CONECT 724 714 CONECT 725 714 CONECT 726 713 CONECT 727 713 CONECT 728 712 CONECT 729 712 CONECT 730 661 CONECT 731 660 CONECT 732 657 733 734 735 CONECT 733 732 CONECT 734 732 CONECT 735 732 CONECT 736 657 CONECT 737 656 CONECT 738 653 739 741 745 CONECT 739 738 740 CONECT 740 739 CONECT 741 738 742 743 744 CONECT 742 741 CONECT 743 741 CONECT 744 741 CONECT 745 738 CONECT 746 653 CONECT 747 652 CONECT 748 649 749 757 758 CONECT 749 748 750 755 756 CONECT 750 749 751 752 CONECT 751 750 CONECT 752 750 753 754 CONECT 753 752 CONECT 754 752 CONECT 755 749 CONECT 756 749 CONECT 757 748 CONECT 758 748 CONECT 759 649 CONECT 760 648 CONECT 761 626 CONECT 762 625 CONECT 763 622 764 766 770 CONECT 764 763 765 CONECT 765 764 CONECT 766 763 767 768 769 CONECT 767 766 CONECT 768 766 CONECT 769 766 CONECT 770 763 CONECT 771 622 CONECT 772 621 CONECT 773 618 774 789 790 CONECT 774 773 775 787 788 CONECT 775 774 776 785 786 CONECT 776 775 777 784 CONECT 777 776 778 781 CONECT 778 777 779 780 CONECT 779 778 CONECT 780 778 CONECT 781 777 782 783 CONECT 782 781 CONECT 783 781 CONECT 784 776 CONECT 785 775 CONECT 786 775 CONECT 787 774 CONECT 788 774 CONECT 789 773 CONECT 790 773 CONECT 791 618 CONECT 792 617 CONECT 793 614 794 795 796 CONECT 794 793 CONECT 795 793 CONECT 796 793 CONECT 797 614 CONECT 798 613 CONECT 799 613 CONECT 800 613 MASTER 0 0 0 0 0 0 0 0 799 1 197 4 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5svy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2b2v
RCSB PDB
PDBbind
16aa, >2B2V_3|Chain... at 93%
2b2w
RCSB PDB
PDBbind
20aa, >2B2W_3|Chain... at 95%
2co0
RCSB PDB
PDBbind
15aa, >2CO0_2|Chains... at 100%
2f6j
RCSB PDB
PDBbind
15aa, >2F6J_2|Chain... at 100%
2fsa
RCSB PDB
PDBbind
15aa, >2FSA_2|Chain... at 100%
2fuu
RCSB PDB
PDBbind
15aa, >2FUU_2|Chain... at 100%
2h2g
RCSB PDB
PDBbind
11aa, >2H2G_2|Chain... at 100%
2h9m
RCSB PDB
PDBbind
11aa, >2H9M_2|Chains... at 100%
2h9n
RCSB PDB
PDBbind
11aa, >2H9N_2|Chains... at 100%
2h9p
RCSB PDB
PDBbind
11aa, >2H9P_2|Chain... at 100%
2l3r
RCSB PDB
PDBbind
11aa, >2L3R_2|Chain... at 100%
2lbm
RCSB PDB
PDBbind
15aa, >2LBM_2|Chain... at 100%
2o9k
RCSB PDB
PDBbind
11aa, >2O9K_2|Chains... at 100%
2r0y
RCSB PDB
PDBbind
13aa, >2R0Y_2|Chain... at 100%
2rnw
RCSB PDB
PDBbind
15aa, >2RNW_2|Chain... at 100%
2rnx
RCSB PDB
PDBbind
13aa, >2RNX_2|Chain... at 92%
2uxn
RCSB PDB
PDBbind
21aa, >2UXN_3|Chain... at 95%
2v1d
RCSB PDB
PDBbind
21aa, >2V1D_3|Chain... at 95%
2ybp
RCSB PDB
PDBbind
12aa, >2YBP_2|Chains... at 91%
2ybs
RCSB PDB
PDBbind
12aa, >2YBS_2|Chains... at 91%
3ask
RCSB PDB
PDBbind
13aa, >3ASK_2|Chains... at 100%
3asl
RCSB PDB
PDBbind
11aa, >3ASL_2|Chain... at 100%
3b95
RCSB PDB
PDBbind
15aa, >3B95_2|Chain... at 100%
3ij0
RCSB PDB
PDBbind
11aa, >3IJ0_2|Chain... at 100%
3kv4
RCSB PDB
PDBbind
24aa, >3KV4_2|Chain... at 95%
3me9
RCSB PDB
PDBbind
11aa, >3ME9_2|Chains... at 100%
3mea
RCSB PDB
PDBbind
11aa, >3MEA_2|Chain... at 100%
3met
RCSB PDB
PDBbind
11aa, >3MET_2|Chains... at 100%
3meu
RCSB PDB
PDBbind
14aa, >3MEU_2|Chains... at 92%
3ql9
RCSB PDB
PDBbind
15aa, >3QL9_2|Chain... at 100%
3qlc
RCSB PDB
PDBbind
15aa, >3QLC_2|Chains... at 100%
3ued
RCSB PDB
PDBbind
12aa, >3UED_2|Chains... at 100%
3uef
RCSB PDB
PDBbind
12aa, >3UEF_2|Chains... at 100%
3uig
RCSB PDB
PDBbind
15aa, >3UIG_2|Chains... at 100%
4a7j
RCSB PDB
PDBbind
16aa, >4A7J_2|Chain... at 100%
4ft2
RCSB PDB
PDBbind
15aa, >4FT2_2|Chain... at 100%
4ft4
RCSB PDB
PDBbind
32aa, >4FT4_2|Chains... at 93%
4gy5
RCSB PDB
PDBbind
17aa, >4GY5_2|Chains... at 100%
4qq4
RCSB PDB
PDBbind
16aa, >4QQ4_2|Chains... at 93%
4tmp
RCSB PDB
PDBbind
11aa, >4TMP_2|Chains... at 100%
4u7t
RCSB PDB
PDBbind
12aa, >4U7T_3|Chains... at 100%
4w5a
RCSB PDB
PDBbind
15aa, >4W5A_2|Chains... at 100%
4yhp
RCSB PDB
PDBbind
16aa, >4YHP_1|Chains... at 100%
4yhz
RCSB PDB
PDBbind
12aa, >4YHZ_3|Chain... at 100%
5fb0
RCSB PDB
PDBbind
15aa, >5FB0_2|Chains... at 100%
5fb1
RCSB PDB
PDBbind
15aa, >5FB1_2|Chain... at 100%
5ix1
RCSB PDB
PDBbind
15aa, >5IX1_2|Chains... at 100%
5svx
RCSB PDB
PDBbind
11aa, >5SVX_2|Chain... at 100%
5x60
RCSB PDB
PDBbind
20aa, >5X60_3|Chain... at 90%
5znp
RCSB PDB
PDBbind
15aa, >5ZNP_2|Chains... at 100%
6bhi
RCSB PDB
PDBbind
16aa, >6BHI_2|Chain... at 100%
6mil
RCSB PDB
PDBbind
19aa, >6MIL_2|Chains... at 94%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1avp
RCSB PDB
PDBbind
11-mer
1bbz
RCSB PDB
PDBbind
11-mer
1c5f
RCSB PDB
PDBbind
11-mer
1cwb
RCSB PDB
PDBbind
11-mer
1cwc
RCSB PDB
PDBbind
11-mer
1cyn
RCSB PDB
PDBbind
11-mer
1d4t
RCSB PDB
PDBbind
11-mer
1d4w
RCSB PDB
PDBbind
11-mer
1d8e
RCSB PDB
PDBbind
11-mer
1ddm
RCSB PDB
PDBbind
11-mer
1ff1
RCSB PDB
PDBbind
11-mer
1h25
RCSB PDB
PDBbind
11-mer
1h26
RCSB PDB
PDBbind
11-mer
1h27
RCSB PDB
PDBbind
11-mer
1h28
RCSB PDB
PDBbind
11-mer
1h3h
RCSB PDB
PDBbind
11-mer
1h6e
RCSB PDB
PDBbind
11-mer
1iq1
RCSB PDB
PDBbind
11-mer
1irs
RCSB PDB
PDBbind
11-mer
1jm4
RCSB PDB
PDBbind
11-mer
1l2z
RCSB PDB
PDBbind
11-mer
1lcj
RCSB PDB
PDBbind
11-mer
1mik
RCSB PDB
PDBbind
11-mer
1om2
RCSB PDB
PDBbind
11-mer
1ox9
RCSB PDB
PDBbind
11-mer
1qng
RCSB PDB
PDBbind
11-mer
1qnh
RCSB PDB
PDBbind
11-mer
1s9v
RCSB PDB
PDBbind
11-mer
1sps
RCSB PDB
PDBbind
11-mer
1ths
RCSB PDB
PDBbind
11-mer
1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
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
5svy
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
MORC family CW-type zinc finger protein 3, MORC3 CW domain
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.05(Å)
Affinity (Kd/Ki/IC50)
Kd=0.74uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Cell Rep Vol. 16: pp. 3195-3207
Ligand Properties
Formula
C
5
1
H
1
0
1
N
2
0
O
1
7
Molecular Weight
1266.470
Exact Mass
1265.770
No. of atoms
189
No. of bonds
188
Polar Surface Area
656.22
LOGP Value
-6.86 (
Computed with XLOGP3
)
-9.58 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 58
No. of Nitrogen and Oxygen Atoms: 37
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[NH2+]C)CCC(=O)N)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C51H96N20O17/c1-24(53)39(77)63-32(16-12-22-61-51(57)58)44(82)70-37(27(4)74)48(86)67-30(14-8-10-20-59-6)41(79)66-33(17-18-35(54)76)45(83)69-36(26(3)73)47(85)62-25(2)40(78)64-31(15-11-21-60-50(55)56)42(80)65-29(13-7-9-19-52)43(81)68-34(23-72)46(84)71-38(28(5)75)49(87)88/h24-34,36-38,59,72-75H,7-23,52-53H2,1-6H3,(H2,54,76)(H,62,85)(H,63,77)(H,64,78)(H,65,80)(H,66,79)(H,67,86)(H,68,81)(H,69,83)(H,70,82)(H,71,84)(H,87,88)(H4,55,56,60)(H4,57,58,61)/p+5/t24-,25-,26+,27+,28+,29-,30-,31-,32-,33-,34-,36-,37-,38-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q14149
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
23515
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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