Browse entries in the PDBbind-CN Database
HEADER 4NMS_COMPLEX COMPND 4NMS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 87 GLY PRO ILE ARG LYS VAL LEU LEU LEU LYS GLU ASP HIS SEQRES 2 A 87 GLU GLY LEU GLY ILE SER ILE THR GLY GLY LYS GLU HIS SEQRES 3 A 87 GLY VAL PRO ILE LEU ILE SER GLU ILE HIS PRO GLY GLN SEQRES 4 A 87 PRO ALA ASP ARG CYS GLY GLY LEU HIS VAL GLY ASP ALA SEQRES 5 A 87 ILE LEU ALA VAL ASN GLY VAL ASN LEU ARG ASP THR LYS SEQRES 6 A 87 HIS LYS GLU ALA VAL THR ILE LEU SER GLN GLN ARG GLY SEQRES 7 A 87 GLU ILE GLU PHE GLU VAL VAL TYR VAL HET TRP A 187 118 ATOM 1 N GLY A 284 7.697 18.768 -1.781 1.00 9.63 N ATOM 2 CA GLY A 284 6.720 17.742 -2.100 1.00 7.71 C ATOM 3 C GLY A 284 5.312 18.272 -1.960 1.00 8.66 C ATOM 4 O GLY A 284 5.116 19.474 -1.796 1.00 11.09 O ATOM 5 HN3 GLY A 284 7.556 19.087 -0.801 1.00 0.00 H ATOM 6 HN2 GLY A 284 7.577 19.573 -2.429 1.00 0.00 H ATOM 7 HN1 GLY A 284 8.655 18.377 -1.885 1.00 0.00 H ATOM 8 N PRO A 285 4.315 17.379 -2.025 1.00 12.24 N ATOM 9 CA PRO A 285 2.932 17.848 -1.933 1.00 8.92 C ATOM 10 C PRO A 285 2.568 18.232 -0.505 1.00 11.15 C ATOM 11 O PRO A 285 3.129 17.689 0.435 1.00 13.75 O ATOM 12 CB PRO A 285 2.120 16.627 -2.376 1.00 11.29 C ATOM 13 CG PRO A 285 2.984 15.452 -2.005 1.00 14.37 C ATOM 14 CD PRO A 285 4.405 15.922 -2.230 1.00 14.18 C ATOM 15 N ILE A 286 1.661 19.187 -0.349 1.00 7.73 N ATOM 16 CA ILE A 286 1.117 19.465 0.973 1.00 7.52 C ATOM 17 C ILE A 286 0.232 18.282 1.364 1.00 12.74 C ATOM 18 O ILE A 286 -0.515 17.761 0.527 1.00 14.00 O ATOM 19 CB ILE A 286 0.352 20.809 0.972 1.00 10.85 C ATOM 20 CG1 ILE A 286 1.334 21.960 0.691 1.00 14.49 C ATOM 21 CG2 ILE A 286 -0.367 21.028 2.308 1.00 14.61 C ATOM 22 CD1 ILE A 286 0.662 23.313 0.516 1.00 19.87 C ATOM 23 H ILE A 286 1.338 19.737 -1.170 1.00 0.00 H ATOM 24 N ARG A 287 0.360 17.815 2.609 1.00 8.61 N ATOM 25 CA ARG A 287 -0.419 16.681 3.104 1.00 8.74 C ATOM 26 C ARG A 287 -1.198 17.064 4.357 1.00 15.42 C ATOM 27 O ARG A 287 -0.725 17.851 5.173 1.00 9.21 O ATOM 28 CB ARG A 287 0.502 15.507 3.472 1.00 10.37 C ATOM 29 CG ARG A 287 1.262 14.886 2.303 1.00 13.80 C ATOM 30 CD ARG A 287 2.757 14.831 2.574 1.00 12.83 C ATOM 31 NE ARG A 287 3.104 14.231 3.867 1.00 11.46 N ATOM 32 CZ ARG A 287 4.185 14.581 4.561 1.00 11.15 C ATOM 33 NH1 ARG A 287 4.999 15.509 4.074 1.00 12.34 N ATOM 34 NH2 ARG A 287 4.457 14.012 5.730 1.00 10.77 N ATOM 35 HE ARG A 287 2.477 13.499 4.259 1.00 0.00 H ATOM 36 HH12 ARG A 287 5.846 15.790 4.608 1.00 0.00 H ATOM 37 HH11 ARG A 287 4.790 15.956 3.158 1.00 0.00 H ATOM 38 HH22 ARG A 287 5.305 14.295 6.261 1.00 0.00 H ATOM 39 HH21 ARG A 287 3.822 13.283 6.114 1.00 0.00 H ATOM 40 H ARG A 287 1.038 18.275 3.249 1.00 0.00 H ATOM 41 N LYS A 288 -2.385 16.483 4.509 1.00 11.22 N ATOM 42 CA LYS A 288 -3.138 16.565 5.761 1.00 11.37 C ATOM 43 C LYS A 288 -2.999 15.238 6.490 1.00 13.41 C ATOM 44 O LYS A 288 -3.217 14.174 5.904 1.00 13.89 O ATOM 45 CB LYS A 288 -4.613 16.877 5.503 1.00 18.06 C ATOM 46 CG LYS A 288 -4.883 18.345 5.180 1.00 28.99 C ATOM 47 CD LYS A 288 -6.372 18.665 5.293 1.00 39.89 C ATOM 48 CE LYS A 288 -6.642 20.135 5.036 1.00 49.13 C ATOM 49 NZ LYS A 288 -6.160 20.551 3.694 1.00 56.26 N ATOM 50 HZ1 LYS A 288 -5.135 20.388 3.629 1.00 0.00 H ATOM 51 HZ2 LYS A 288 -6.648 19.994 2.964 1.00 0.00 H ATOM 52 HZ3 LYS A 288 -6.361 21.562 3.553 1.00 0.00 H ATOM 53 H LYS A 288 -2.791 15.953 3.712 1.00 0.00 H ATOM 54 N VAL A 289 -2.622 15.302 7.764 1.00 8.32 N ATOM 55 CA VAL A 289 -2.285 14.104 8.522 1.00 9.60 C ATOM 56 C VAL A 289 -2.992 14.137 9.870 1.00 10.91 C ATOM 57 O VAL A 289 -2.938 15.141 10.571 1.00 12.29 O ATOM 58 CB VAL A 289 -0.755 14.026 8.753 1.00 10.68 C ATOM 59 CG1 VAL A 289 -0.409 12.896 9.722 1.00 13.83 C ATOM 60 CG2 VAL A 289 -0.018 13.862 7.413 1.00 13.92 C ATOM 61 H VAL A 289 -2.566 16.230 8.231 1.00 0.00 H ATOM 62 N LEU A 290 -3.651 13.040 10.226 1.00 6.62 N ATOM 63 CA LEU A 290 -4.325 12.931 11.514 1.00 7.34 C ATOM 64 C LEU A 290 -3.462 12.222 12.560 1.00 10.29 C ATOM 65 O LEU A 290 -2.856 11.172 12.295 1.00 9.06 O ATOM 66 CB LEU A 290 -5.650 12.179 11.342 1.00 9.50 C ATOM 67 CG LEU A 290 -6.503 12.005 12.595 1.00 10.34 C ATOM 68 CD1 LEU A 290 -6.994 13.363 13.083 1.00 10.56 C ATOM 69 CD2 LEU A 290 -7.673 11.059 12.322 1.00 10.67 C ATOM 70 H LEU A 290 -3.687 12.236 9.567 1.00 0.00 H ATOM 71 N LEU A 291 -3.423 12.785 13.763 1.00 5.82 N ATOM 72 CA LEU A 291 -2.695 12.184 14.860 1.00 6.11 C ATOM 73 C LEU A 291 -3.649 12.016 16.040 1.00 8.12 C ATOM 74 O LEU A 291 -4.433 12.927 16.335 1.00 8.06 O ATOM 75 CB LEU A 291 -1.499 13.076 15.232 1.00 10.34 C ATOM 76 CG LEU A 291 -0.626 12.682 16.427 1.00 7.08 C ATOM 77 CD1 LEU A 291 0.788 13.254 16.271 1.00 9.54 C ATOM 78 CD2 LEU A 291 -1.270 13.127 17.752 1.00 8.89 C ATOM 79 H LEU A 291 -3.928 13.680 13.920 1.00 0.00 H ATOM 80 N LEU A 292 -3.599 10.848 16.686 1.00 7.04 N ATOM 81 CA LEU A 292 -4.428 10.572 17.852 1.00 5.22 C ATOM 82 C LEU A 292 -3.532 10.467 19.084 1.00 7.50 C ATOM 83 O LEU A 292 -2.548 9.724 19.092 1.00 8.93 O ATOM 84 CB LEU A 292 -5.214 9.259 17.659 1.00 7.05 C ATOM 85 CG LEU A 292 -6.651 9.333 17.127 1.00 10.87 C ATOM 86 CD1 LEU A 292 -6.777 10.155 15.859 1.00 11.53 C ATOM 87 CD2 LEU A 292 -7.233 7.930 16.918 1.00 8.22 C ATOM 88 H LEU A 292 -2.948 10.112 16.346 1.00 0.00 H ATOM 89 N LYS A 293 -3.852 11.215 20.127 1.00 9.34 N ATOM 90 CA LYS A 293 -3.102 11.045 21.362 1.00 13.45 C ATOM 91 C LYS A 293 -3.979 11.173 22.582 1.00 11.70 C ATOM 92 O LYS A 293 -5.059 11.756 22.531 1.00 9.51 O ATOM 93 CB LYS A 293 -1.917 12.007 21.437 1.00 16.81 C ATOM 94 CG LYS A 293 -2.255 13.428 21.787 1.00 15.28 C ATOM 95 CD LYS A 293 -0.961 14.148 22.205 1.00 15.01 C ATOM 96 CE LYS A 293 -1.248 15.340 23.073 1.00 17.56 C ATOM 97 NZ LYS A 293 -1.688 14.936 24.435 1.00 13.63 N ATOM 98 HZ1 LYS A 293 -2.555 14.366 24.363 1.00 0.00 H ATOM 99 HZ2 LYS A 293 -0.939 14.374 24.887 1.00 0.00 H ATOM 100 HZ3 LYS A 293 -1.876 15.786 25.004 1.00 0.00 H ATOM 101 H LYS A 293 -4.623 11.910 20.066 1.00 0.00 H ATOM 102 N GLU A 294 -3.510 10.593 23.671 1.00 9.15 N ATOM 103 CA GLU A 294 -4.226 10.633 24.922 1.00 13.52 C ATOM 104 C GLU A 294 -3.601 11.741 25.750 1.00 13.94 C ATOM 105 O GLU A 294 -2.520 12.249 25.421 1.00 8.34 O ATOM 106 CB GLU A 294 -4.128 9.280 25.633 1.00 18.92 C ATOM 107 CG GLU A 294 -4.239 8.074 24.688 1.00 25.26 C ATOM 108 CD GLU A 294 -5.588 7.983 23.996 1.00 25.06 C ATOM 109 OE1 GLU A 294 -6.530 8.664 24.455 1.00 18.32 O ATOM 110 OE2 GLU A 294 -5.706 7.223 22.999 1.00 22.58 O ATOM 111 H GLU A 294 -2.599 10.093 23.626 1.00 0.00 H ATOM 112 N ASP A 295 -4.290 12.149 26.805 1.00 9.34 N ATOM 113 CA ASP A 295 -3.867 13.331 27.532 1.00 10.45 C ATOM 114 C ASP A 295 -2.580 13.145 28.338 1.00 11.46 C ATOM 115 O ASP A 295 -1.986 14.128 28.767 1.00 14.43 O ATOM 116 CB ASP A 295 -4.989 13.838 28.448 1.00 19.62 C ATOM 117 CG ASP A 295 -6.238 14.242 27.678 1.00 27.72 C ATOM 118 OD1 ASP A 295 -6.130 14.605 26.485 1.00 18.91 O ATOM 119 OD2 ASP A 295 -7.335 14.192 28.270 1.00 23.24 O ATOM 120 H ASP A 295 -5.133 11.623 27.112 1.00 0.00 H ATOM 121 N HIS A 296 -2.134 11.903 28.521 1.00 7.57 N ATOM 122 CA HIS A 296 -0.982 11.636 29.392 1.00 7.12 C ATOM 123 C HIS A 296 0.336 11.709 28.630 1.00 7.78 C ATOM 124 O HIS A 296 1.405 11.608 29.221 1.00 9.33 O ATOM 125 CB HIS A 296 -1.110 10.261 30.053 1.00 9.42 C ATOM 126 CG HIS A 296 -0.874 9.125 29.114 1.00 8.75 C ATOM 127 ND1 HIS A 296 -1.736 8.823 28.080 1.00 9.52 N ATOM 128 CD2 HIS A 296 0.146 8.236 29.027 1.00 10.25 C ATOM 129 CE1 HIS A 296 -1.262 7.792 27.403 1.00 9.82 C ATOM 130 NE2 HIS A 296 -0.127 7.411 27.962 1.00 10.29 N ATOM 131 H HIS A 296 -2.608 11.112 28.041 1.00 0.00 H ATOM 132 N GLU A 297 0.254 11.856 27.313 1.00 6.60 N ATOM 133 CA GLU A 297 1.449 11.828 26.473 1.00 10.51 C ATOM 134 C GLU A 297 1.619 13.145 25.717 1.00 8.76 C ATOM 135 O GLU A 297 0.693 13.970 25.653 1.00 8.34 O ATOM 136 CB GLU A 297 1.407 10.622 25.517 1.00 18.47 C ATOM 137 CG GLU A 297 0.150 10.538 24.704 1.00 19.39 C ATOM 138 CD GLU A 297 -0.098 9.166 24.054 1.00 11.15 C ATOM 139 OE1 GLU A 297 0.800 8.292 24.038 1.00 12.56 O ATOM 140 OE2 GLU A 297 -1.215 8.989 23.545 1.00 13.39 O ATOM 141 H GLU A 297 -0.678 11.994 26.871 1.00 0.00 H ATOM 142 N GLY A 298 2.824 13.357 25.193 1.00 7.87 N ATOM 143 CA GLY A 298 3.076 14.481 24.315 1.00 9.35 C ATOM 144 C GLY A 298 2.829 14.031 22.882 1.00 9.77 C ATOM 145 O GLY A 298 2.287 12.941 22.643 1.00 8.17 O ATOM 146 H GLY A 298 3.600 12.702 25.419 1.00 0.00 H ATOM 147 N LEU A 299 3.217 14.872 21.931 1.00 5.43 N ATOM 148 CA LEU A 299 3.052 14.566 20.515 1.00 5.62 C ATOM 149 C LEU A 299 4.071 13.526 20.040 1.00 7.36 C ATOM 150 O LEU A 299 3.795 12.765 19.120 1.00 9.49 O ATOM 151 CB LEU A 299 3.179 15.852 19.678 1.00 7.95 C ATOM 152 CG LEU A 299 2.032 16.857 19.833 1.00 6.49 C ATOM 153 CD1 LEU A 299 2.428 18.222 19.259 1.00 10.54 C ATOM 154 CD2 LEU A 299 0.781 16.319 19.141 1.00 5.09 C ATOM 155 H LEU A 299 3.652 15.776 22.204 1.00 0.00 H ATOM 156 N GLY A 300 5.248 13.502 20.655 1.00 7.80 N ATOM 157 CA GLY A 300 6.289 12.584 20.217 1.00 6.30 C ATOM 158 C GLY A 300 7.094 13.156 19.058 1.00 8.17 C ATOM 159 O GLY A 300 7.538 12.429 18.162 1.00 9.46 O ATOM 160 H GLY A 300 5.427 14.143 21.454 1.00 0.00 H ATOM 161 N ILE A 301 7.278 14.475 19.086 1.00 9.95 N ATOM 162 CA ILE A 301 7.969 15.211 18.029 1.00 8.22 C ATOM 163 C ILE A 301 9.031 16.103 18.639 1.00 9.01 C ATOM 164 O ILE A 301 8.803 16.659 19.708 1.00 7.90 O ATOM 165 CB ILE A 301 6.973 16.154 17.311 1.00 9.21 C ATOM 166 CG1 ILE A 301 5.875 15.341 16.640 1.00 22.11 C ATOM 167 CG2 ILE A 301 7.672 16.976 16.265 1.00 22.19 C ATOM 168 CD1 ILE A 301 6.433 14.322 15.730 1.00 25.22 C ATOM 169 H ILE A 301 6.912 15.008 19.901 1.00 0.00 H ATOM 170 N SER A 302 10.186 16.240 17.984 1.00 5.06 N ATOM 171 CA SER A 302 11.058 17.387 18.264 1.00 5.86 C ATOM 172 C SER A 302 10.930 18.353 17.104 1.00 8.15 C ATOM 173 O SER A 302 10.963 17.937 15.941 1.00 7.70 O ATOM 174 CB SER A 302 12.521 16.974 18.453 1.00 8.54 C ATOM 175 OG SER A 302 12.649 16.056 19.523 1.00 9.87 O ATOM 176 HG SER A 302 13.600 15.803 19.627 1.00 0.00 H ATOM 177 H SER A 302 10.468 15.534 17.275 1.00 0.00 H ATOM 178 N ILE A 303 10.749 19.635 17.420 1.00 8.74 N ATOM 179 CA ILE A 303 10.682 20.663 16.392 1.00 6.42 C ATOM 180 C ILE A 303 11.834 21.646 16.528 1.00 6.45 C ATOM 181 O ILE A 303 12.326 21.918 17.631 1.00 9.02 O ATOM 182 CB ILE A 303 9.353 21.441 16.432 1.00 8.44 C ATOM 183 CG1 ILE A 303 9.129 22.030 17.827 1.00 7.73 C ATOM 184 CG2 ILE A 303 8.190 20.536 16.016 1.00 8.30 C ATOM 185 CD1 ILE A 303 8.049 23.141 17.869 1.00 8.50 C ATOM 186 H ILE A 303 10.654 19.906 18.420 1.00 0.00 H ATOM 187 N THR A 304 12.272 22.162 15.389 1.00 5.38 N ATOM 188 CA THR A 304 13.286 23.198 15.368 1.00 5.47 C ATOM 189 C THR A 304 12.822 24.294 14.413 1.00 11.56 C ATOM 190 O THR A 304 11.768 24.172 13.795 1.00 11.95 O ATOM 191 CB THR A 304 14.658 22.616 14.933 1.00 10.33 C ATOM 192 OG1 THR A 304 15.683 23.600 15.118 1.00 12.45 O ATOM 193 CG2 THR A 304 14.631 22.161 13.471 1.00 11.79 C ATOM 194 HG1 THR A 304 16.555 23.223 14.839 1.00 0.00 H ATOM 195 H THR A 304 11.880 21.816 14.490 1.00 0.00 H ATOM 196 N GLY A 305 13.579 25.380 14.310 1.00 9.16 N ATOM 197 CA GLY A 305 13.219 26.449 13.393 1.00 7.82 C ATOM 198 C GLY A 305 12.248 27.450 13.994 1.00 9.06 C ATOM 199 O GLY A 305 12.103 27.527 15.212 1.00 10.85 O ATOM 200 H GLY A 305 14.437 25.467 14.891 1.00 0.00 H ATOM 201 N GLY A 306 11.585 28.222 13.137 1.00 7.61 N ATOM 202 CA GLY A 306 10.676 29.261 13.596 1.00 7.19 C ATOM 203 C GLY A 306 10.926 30.575 12.893 1.00 12.17 C ATOM 204 O GLY A 306 12.007 30.814 12.348 1.00 9.77 O ATOM 205 H GLY A 306 11.720 28.079 12.116 1.00 0.00 H ATOM 206 N LYS A 307 9.924 31.444 12.905 1.00 8.65 N ATOM 207 CA LYS A 307 9.986 32.650 12.091 1.00 11.45 C ATOM 208 C LYS A 307 11.161 33.555 12.438 1.00 13.22 C ATOM 209 O LYS A 307 11.704 34.235 11.559 1.00 14.52 O ATOM 210 CB LYS A 307 8.679 33.436 12.180 1.00 17.86 C ATOM 211 CG LYS A 307 8.696 34.693 11.307 1.00 24.13 C ATOM 212 CD LYS A 307 7.613 35.672 11.707 1.00 35.13 C ATOM 213 CE LYS A 307 7.626 36.911 10.810 1.00 38.74 C ATOM 214 NZ LYS A 307 8.625 37.932 11.239 1.00 37.60 N ATOM 215 HZ1 LYS A 307 8.406 38.244 12.206 1.00 0.00 H ATOM 216 HZ2 LYS A 307 9.577 37.515 11.215 1.00 0.00 H ATOM 217 HZ3 LYS A 307 8.586 38.746 10.593 1.00 0.00 H ATOM 218 H LYS A 307 9.090 31.263 13.499 1.00 0.00 H ATOM 219 N GLU A 308 11.552 33.580 13.711 1.00 13.51 N ATOM 220 CA GLU A 308 12.665 34.432 14.131 1.00 12.64 C ATOM 221 C GLU A 308 13.984 33.964 13.522 1.00 15.81 C ATOM 222 O GLU A 308 14.981 34.693 13.530 1.00 21.04 O ATOM 223 CB GLU A 308 12.763 34.527 15.664 1.00 12.51 C ATOM 224 CG GLU A 308 13.301 33.292 16.375 1.00 13.91 C ATOM 225 CD GLU A 308 12.205 32.305 16.787 1.00 15.64 C ATOM 226 OE1 GLU A 308 12.271 31.770 17.918 1.00 17.12 O ATOM 227 OE2 GLU A 308 11.298 32.038 15.976 1.00 11.40 O ATOM 228 H GLU A 308 11.062 32.989 14.413 1.00 0.00 H ATOM 229 N HIS A 309 13.977 32.750 12.980 1.00 12.30 N ATOM 230 CA HIS A 309 15.146 32.185 12.322 1.00 9.99 C ATOM 231 C HIS A 309 15.004 32.131 10.809 1.00 11.70 C ATOM 232 O HIS A 309 15.908 31.666 10.112 1.00 14.25 O ATOM 233 CB HIS A 309 15.435 30.794 12.880 1.00 13.46 C ATOM 234 CG HIS A 309 15.576 30.780 14.365 1.00 15.94 C ATOM 235 ND1 HIS A 309 16.612 31.413 15.017 1.00 17.25 N ATOM 236 CD2 HIS A 309 14.785 30.256 15.331 1.00 15.67 C ATOM 237 CE1 HIS A 309 16.468 31.256 16.320 1.00 16.67 C ATOM 238 NE2 HIS A 309 15.368 30.557 16.537 1.00 16.35 N ATOM 239 H HIS A 309 13.106 32.184 13.028 1.00 0.00 H ATOM 240 N GLY A 310 13.863 32.598 10.311 1.00 11.07 N ATOM 241 CA GLY A 310 13.611 32.641 8.882 1.00 15.34 C ATOM 242 C GLY A 310 13.350 31.277 8.271 1.00 15.27 C ATOM 243 O GLY A 310 13.547 31.079 7.073 1.00 16.06 O ATOM 244 H GLY A 310 13.130 32.942 10.964 1.00 0.00 H ATOM 245 N VAL A 311 12.909 30.328 9.088 1.00 11.06 N ATOM 246 CA VAL A 311 12.609 28.994 8.585 1.00 13.53 C ATOM 247 C VAL A 311 11.307 28.485 9.202 1.00 13.70 C ATOM 248 O VAL A 311 10.877 28.980 10.240 1.00 11.54 O ATOM 249 CB VAL A 311 13.766 28.004 8.850 1.00 21.21 C ATOM 250 CG1 VAL A 311 15.024 28.434 8.089 1.00 23.99 C ATOM 251 CG2 VAL A 311 14.054 27.885 10.337 1.00 15.38 C ATOM 252 H VAL A 311 12.776 30.539 10.098 1.00 0.00 H ATOM 253 N PRO A 312 10.665 27.508 8.552 1.00 15.38 N ATOM 254 CA PRO A 312 9.396 27.002 9.089 1.00 10.27 C ATOM 255 C PRO A 312 9.608 26.272 10.406 1.00 10.52 C ATOM 256 O PRO A 312 10.735 26.058 10.833 1.00 9.17 O ATOM 257 CB PRO A 312 8.941 25.980 8.036 1.00 14.95 C ATOM 258 CG PRO A 312 9.784 26.237 6.824 1.00 17.45 C ATOM 259 CD PRO A 312 11.059 26.836 7.302 1.00 17.93 C ATOM 260 N ILE A 313 8.513 25.864 11.037 1.00 8.35 N ATOM 261 CA ILE A 313 8.611 24.924 12.142 1.00 6.98 C ATOM 262 C ILE A 313 8.873 23.548 11.533 1.00 13.43 C ATOM 263 O ILE A 313 8.025 22.997 10.824 1.00 11.96 O ATOM 264 CB ILE A 313 7.313 24.903 12.953 1.00 8.03 C ATOM 265 CG1 ILE A 313 7.010 26.314 13.501 1.00 10.06 C ATOM 266 CG2 ILE A 313 7.382 23.829 14.050 1.00 9.46 C ATOM 267 CD1 ILE A 313 8.108 26.897 14.416 1.00 11.95 C ATOM 268 H ILE A 313 7.582 26.218 10.740 1.00 0.00 H ATOM 269 N LEU A 314 10.063 23.007 11.780 1.00 7.77 N ATOM 270 CA LEU A 314 10.486 21.767 11.143 1.00 7.44 C ATOM 271 C LEU A 314 10.541 20.620 12.138 1.00 10.68 C ATOM 272 O LEU A 314 11.001 20.789 13.269 1.00 10.82 O ATOM 273 CB LEU A 314 11.882 21.949 10.554 1.00 7.84 C ATOM 274 CG LEU A 314 11.970 22.926 9.389 1.00 12.03 C ATOM 275 CD1 LEU A 314 13.406 23.387 9.178 1.00 14.91 C ATOM 276 CD2 LEU A 314 11.417 22.288 8.123 1.00 12.14 C ATOM 277 H LEU A 314 10.707 23.481 12.444 1.00 0.00 H ATOM 278 N ILE A 315 10.090 19.445 11.713 1.00 7.29 N ATOM 279 CA ILE A 315 10.207 18.263 12.553 1.00 7.65 C ATOM 280 C ILE A 315 11.630 17.726 12.433 1.00 11.68 C ATOM 281 O ILE A 315 12.061 17.357 11.345 1.00 11.04 O ATOM 282 CB ILE A 315 9.237 17.167 12.109 1.00 7.64 C ATOM 283 CG1 ILE A 315 7.788 17.645 12.283 1.00 11.76 C ATOM 284 CG2 ILE A 315 9.484 15.913 12.920 1.00 6.36 C ATOM 285 CD1 ILE A 315 6.739 16.572 11.918 1.00 9.11 C ATOM 286 H ILE A 315 9.650 19.370 10.774 1.00 0.00 H ATOM 287 N SER A 316 12.360 17.716 13.547 1.00 9.92 N ATOM 288 CA SER A 316 13.736 17.219 13.551 1.00 9.00 C ATOM 289 C SER A 316 13.857 15.809 14.112 1.00 11.85 C ATOM 290 O SER A 316 14.861 15.132 13.871 1.00 12.10 O ATOM 291 CB SER A 316 14.656 18.171 14.327 1.00 10.82 C ATOM 292 OG SER A 316 14.283 18.231 15.694 1.00 11.17 O ATOM 293 HG SER A 316 14.889 18.850 16.173 1.00 0.00 H ATOM 294 H SER A 316 11.943 18.069 14.432 1.00 0.00 H ATOM 295 N GLU A 317 12.852 15.370 14.877 1.00 8.69 N ATOM 296 CA GLU A 317 12.818 14.005 15.410 1.00 8.87 C ATOM 297 C GLU A 317 11.382 13.506 15.476 1.00 8.62 C ATOM 298 O GLU A 317 10.460 14.277 15.755 1.00 8.04 O ATOM 299 CB GLU A 317 13.414 13.923 16.826 1.00 8.10 C ATOM 300 CG GLU A 317 14.815 14.455 16.963 1.00 12.15 C ATOM 301 CD GLU A 317 15.398 14.181 18.337 1.00 24.96 C ATOM 302 OE1 GLU A 317 14.850 14.700 19.340 1.00 18.43 O ATOM 303 OE2 GLU A 317 16.399 13.436 18.413 1.00 20.29 O ATOM 304 H GLU A 317 12.070 16.018 15.101 1.00 0.00 H ATOM 305 N ILE A 318 11.207 12.214 15.211 1.00 7.32 N ATOM 306 CA ILE A 318 9.969 11.510 15.518 1.00 5.73 C ATOM 307 C ILE A 318 10.363 10.467 16.552 1.00 12.82 C ATOM 308 O ILE A 318 11.180 9.576 16.277 1.00 12.89 O ATOM 309 CB ILE A 318 9.380 10.801 14.289 1.00 10.87 C ATOM 310 CG1 ILE A 318 9.057 11.802 13.169 1.00 15.55 C ATOM 311 CG2 ILE A 318 8.148 9.999 14.678 1.00 10.55 C ATOM 312 CD1 ILE A 318 7.747 12.548 13.350 1.00 14.15 C ATOM 313 H ILE A 318 11.985 11.686 14.767 1.00 0.00 H ATOM 314 N HIS A 319 9.801 10.582 17.747 1.00 9.54 N ATOM 315 CA HIS A 319 10.221 9.709 18.845 1.00 8.85 C ATOM 316 C HIS A 319 9.531 8.357 18.762 1.00 8.68 C ATOM 317 O HIS A 319 8.312 8.277 18.631 1.00 9.03 O ATOM 318 CB HIS A 319 10.026 10.418 20.178 1.00 16.59 C ATOM 319 CG HIS A 319 10.797 11.697 20.257 1.00 20.56 C ATOM 320 ND1 HIS A 319 10.195 12.934 20.199 1.00 23.57 N ATOM 321 CD2 HIS A 319 12.130 11.928 20.318 1.00 26.07 C ATOM 322 CE1 HIS A 319 11.120 13.874 20.253 1.00 19.21 C ATOM 323 NE2 HIS A 319 12.304 13.291 20.325 1.00 30.66 N ATOM 324 H HIS A 319 9.060 11.294 17.905 1.00 0.00 H ATOM 325 N PRO A 320 10.323 7.276 18.771 1.00 8.92 N ATOM 326 CA PRO A 320 9.717 5.976 18.466 1.00 8.99 C ATOM 327 C PRO A 320 8.667 5.573 19.481 1.00 12.74 C ATOM 328 O PRO A 320 8.849 5.746 20.695 1.00 12.47 O ATOM 329 CB PRO A 320 10.913 5.005 18.492 1.00 12.97 C ATOM 330 CG PRO A 320 11.983 5.721 19.229 1.00 10.78 C ATOM 331 CD PRO A 320 11.782 7.182 18.942 1.00 13.55 C ATOM 332 N GLY A 321 7.549 5.075 18.967 1.00 9.48 N ATOM 333 CA GLY A 321 6.498 4.536 19.806 1.00 12.98 C ATOM 334 C GLY A 321 5.541 5.563 20.376 1.00 11.55 C ATOM 335 O GLY A 321 4.564 5.188 21.017 1.00 10.42 O ATOM 336 H GLY A 321 7.424 5.072 17.935 1.00 0.00 H ATOM 337 N GLN A 322 5.810 6.851 20.143 1.00 8.78 N ATOM 338 CA GLN A 322 4.937 7.922 20.652 1.00 7.30 C ATOM 339 C GLN A 322 3.936 8.350 19.570 1.00 8.91 C ATOM 340 O GLN A 322 3.999 7.848 18.453 1.00 7.84 O ATOM 341 CB GLN A 322 5.779 9.089 21.184 1.00 10.51 C ATOM 342 CG GLN A 322 6.643 8.682 22.383 1.00 11.58 C ATOM 343 CD GLN A 322 5.811 8.093 23.522 1.00 15.43 C ATOM 344 OE1 GLN A 322 4.859 8.716 24.001 1.00 18.60 O ATOM 345 NE2 GLN A 322 6.155 6.875 23.941 1.00 20.20 N ATOM 346 HE22 GLN A 322 6.965 6.386 23.509 1.00 0.00 H ATOM 347 HE21 GLN A 322 5.613 6.414 24.700 1.00 0.00 H ATOM 348 H GLN A 322 6.654 7.102 19.590 1.00 0.00 H ATOM 349 N PRO A 323 2.985 9.247 19.898 1.00 6.76 N ATOM 350 CA PRO A 323 1.856 9.401 18.968 1.00 7.63 C ATOM 351 C PRO A 323 2.180 9.747 17.516 1.00 7.91 C ATOM 352 O PRO A 323 1.523 9.221 16.601 1.00 9.04 O ATOM 353 CB PRO A 323 1.017 10.498 19.633 1.00 7.67 C ATOM 354 CG PRO A 323 1.235 10.229 21.102 1.00 7.10 C ATOM 355 CD PRO A 323 2.705 9.892 21.198 1.00 5.77 C ATOM 356 N ALA A 324 3.166 10.606 17.285 1.00 7.22 N ATOM 357 CA ALA A 324 3.486 10.971 15.905 1.00 10.24 C ATOM 358 C ALA A 324 4.001 9.771 15.106 1.00 7.97 C ATOM 359 O ALA A 324 3.656 9.596 13.931 1.00 8.93 O ATOM 360 CB ALA A 324 4.485 12.102 15.872 1.00 9.62 C ATOM 361 H ALA A 324 3.704 11.014 18.076 1.00 0.00 H ATOM 362 N ASP A 325 4.837 8.956 15.741 1.00 6.50 N ATOM 363 CA ASP A 325 5.343 7.741 15.101 1.00 6.88 C ATOM 364 C ASP A 325 4.180 6.791 14.800 1.00 8.85 C ATOM 365 O ASP A 325 4.075 6.237 13.700 1.00 10.89 O ATOM 366 CB ASP A 325 6.361 7.067 16.025 1.00 8.42 C ATOM 367 CG ASP A 325 6.991 5.836 15.409 1.00 15.57 C ATOM 368 OD1 ASP A 325 7.174 5.813 14.178 1.00 16.92 O ATOM 369 OD2 ASP A 325 7.291 4.891 16.166 1.00 15.30 O ATOM 370 H ASP A 325 5.137 9.186 16.710 1.00 0.00 H ATOM 371 N ARG A 326 3.298 6.622 15.779 1.00 6.48 N ATOM 372 CA ARG A 326 2.192 5.684 15.654 1.00 8.00 C ATOM 373 C ARG A 326 1.215 6.123 14.570 1.00 8.30 C ATOM 374 O ARG A 326 0.653 5.276 13.890 1.00 10.98 O ATOM 375 CB ARG A 326 1.454 5.498 16.991 1.00 6.21 C ATOM 376 CG ARG A 326 2.355 5.126 18.157 1.00 10.35 C ATOM 377 CD ARG A 326 1.559 4.609 19.373 1.00 13.36 C ATOM 378 NE ARG A 326 0.557 5.519 19.944 1.00 13.17 N ATOM 379 CZ ARG A 326 0.700 6.191 21.091 1.00 10.90 C ATOM 380 NH1 ARG A 326 1.833 6.127 21.779 1.00 11.76 N ATOM 381 NH2 ARG A 326 -0.292 6.953 21.548 1.00 10.59 N ATOM 382 HE ARG A 326 -0.330 5.650 19.417 1.00 0.00 H ATOM 383 HH12 ARG A 326 1.931 6.655 22.670 1.00 0.00 H ATOM 384 HH11 ARG A 326 2.623 5.549 21.427 1.00 0.00 H ATOM 385 HH22 ARG A 326 -0.178 7.475 22.440 1.00 0.00 H ATOM 386 HH21 ARG A 326 -1.180 7.026 21.012 1.00 0.00 H ATOM 387 H ARG A 326 3.400 7.173 16.655 1.00 0.00 H ATOM 388 N CYS A 327 1.019 7.434 14.405 1.00 9.54 N ATOM 389 CA CYS A 327 0.064 7.943 13.399 1.00 13.48 C ATOM 390 C CYS A 327 0.477 7.644 11.957 1.00 12.02 C ATOM 391 O CYS A 327 -0.381 7.515 11.078 1.00 12.18 O ATOM 392 CB CYS A 327 -0.249 9.452 13.576 1.00 12.03 C ATOM 393 SG CYS A 327 0.793 10.696 12.644 1.00 15.08 S ATOM 394 H CYS A 327 1.548 8.108 14.995 1.00 0.00 H ATOM 395 N GLY A 328 1.782 7.577 11.706 1.00 7.62 N ATOM 396 CA GLY A 328 2.299 7.051 10.450 1.00 9.40 C ATOM 397 C GLY A 328 2.633 8.020 9.316 1.00 20.06 C ATOM 398 O GLY A 328 3.339 7.652 8.364 1.00 19.22 O ATOM 399 H GLY A 328 2.453 7.910 12.428 1.00 0.00 H ATOM 400 N GLY A 329 2.141 9.249 9.410 1.00 12.13 N ATOM 401 CA GLY A 329 2.222 10.178 8.291 1.00 9.57 C ATOM 402 C GLY A 329 3.056 11.423 8.527 1.00 10.72 C ATOM 403 O GLY A 329 3.003 12.355 7.733 1.00 9.95 O ATOM 404 H GLY A 329 1.691 9.554 10.297 1.00 0.00 H ATOM 405 N LEU A 330 3.824 11.442 9.614 1.00 7.87 N ATOM 406 CA LEU A 330 4.684 12.578 9.936 1.00 9.12 C ATOM 407 C LEU A 330 6.124 12.109 9.905 1.00 14.72 C ATOM 408 O LEU A 330 6.431 11.030 10.404 1.00 17.80 O ATOM 409 CB LEU A 330 4.384 13.142 11.329 1.00 8.91 C ATOM 410 CG LEU A 330 3.016 13.791 11.543 1.00 10.12 C ATOM 411 CD1 LEU A 330 2.840 14.276 12.985 1.00 9.84 C ATOM 412 CD2 LEU A 330 2.815 14.930 10.562 1.00 9.58 C ATOM 413 H LEU A 330 3.811 10.622 10.254 1.00 0.00 H ATOM 414 N HIS A 331 7.013 12.914 9.335 1.00 8.84 N ATOM 415 CA HIS A 331 8.385 12.459 9.141 1.00 8.76 C ATOM 416 C HIS A 331 9.410 13.542 9.415 1.00 9.13 C ATOM 417 O HIS A 331 9.125 14.726 9.281 1.00 8.86 O ATOM 418 CB HIS A 331 8.558 11.947 7.717 1.00 14.48 C ATOM 419 CG HIS A 331 7.500 10.971 7.307 1.00 22.17 C ATOM 420 ND1 HIS A 331 7.421 9.698 7.830 1.00 30.40 N ATOM 421 CD2 HIS A 331 6.461 11.091 6.449 1.00 19.42 C ATOM 422 CE1 HIS A 331 6.390 9.068 7.295 1.00 29.46 C ATOM 423 NE2 HIS A 331 5.792 9.889 6.452 1.00 21.07 N ATOM 424 H HIS A 331 6.732 13.867 9.028 1.00 0.00 H ATOM 425 N VAL A 332 10.615 13.125 9.784 1.00 8.62 N ATOM 426 CA VAL A 332 11.706 14.070 9.952 1.00 8.72 C ATOM 427 C VAL A 332 11.888 14.870 8.663 1.00 11.51 C ATOM 428 O VAL A 332 11.909 14.301 7.563 1.00 11.76 O ATOM 429 CB VAL A 332 13.017 13.347 10.344 1.00 9.44 C ATOM 430 CG1 VAL A 332 14.172 14.334 10.372 1.00 10.26 C ATOM 431 CG2 VAL A 332 12.853 12.702 11.712 1.00 12.31 C ATOM 432 H VAL A 332 10.780 12.112 9.954 1.00 0.00 H ATOM 433 N GLY A 333 11.995 16.190 8.794 1.00 12.19 N ATOM 434 CA GLY A 333 12.163 17.059 7.640 1.00 12.75 C ATOM 435 C GLY A 333 10.882 17.761 7.229 1.00 11.86 C ATOM 436 O GLY A 333 10.927 18.738 6.479 1.00 12.46 O ATOM 437 H GLY A 333 11.958 16.610 9.745 1.00 0.00 H ATOM 438 N ASP A 334 9.739 17.252 7.691 1.00 7.81 N ATOM 439 CA ASP A 334 8.455 17.891 7.424 1.00 7.82 C ATOM 440 C ASP A 334 8.420 19.282 8.036 1.00 12.16 C ATOM 441 O ASP A 334 8.901 19.494 9.161 1.00 9.21 O ATOM 442 CB ASP A 334 7.295 17.082 8.028 1.00 6.97 C ATOM 443 CG ASP A 334 6.856 15.924 7.157 1.00 12.54 C ATOM 444 OD1 ASP A 334 7.171 15.913 5.946 1.00 14.49 O ATOM 445 OD2 ASP A 334 6.164 15.031 7.690 1.00 9.64 O ATOM 446 H ASP A 334 9.764 16.379 8.255 1.00 0.00 H ATOM 447 N ALA A 335 7.844 20.231 7.301 1.00 7.57 N ATOM 448 CA ALA A 335 7.510 21.529 7.876 1.00 8.99 C ATOM 449 C ALA A 335 6.068 21.426 8.337 1.00 11.96 C ATOM 450 O ALA A 335 5.216 20.930 7.599 1.00 10.04 O ATOM 451 CB ALA A 335 7.641 22.630 6.840 1.00 8.79 C ATOM 452 H ALA A 335 7.629 20.044 6.301 1.00 0.00 H ATOM 453 N ILE A 336 5.791 21.875 9.556 1.00 8.64 N ATOM 454 CA ILE A 336 4.414 21.916 10.024 1.00 6.22 C ATOM 455 C ILE A 336 3.792 23.252 9.622 1.00 8.92 C ATOM 456 O ILE A 336 4.164 24.306 10.140 1.00 10.39 O ATOM 457 CB ILE A 336 4.309 21.731 11.554 1.00 5.86 C ATOM 458 CG1 ILE A 336 5.031 20.453 11.987 1.00 5.92 C ATOM 459 CG2 ILE A 336 2.827 21.685 11.956 1.00 8.74 C ATOM 460 CD1 ILE A 336 4.959 20.183 13.496 1.00 10.29 C ATOM 461 H ILE A 336 6.560 22.198 10.177 1.00 0.00 H ATOM 462 N LEU A 337 2.861 23.204 8.673 1.00 6.88 N ATOM 463 CA LEU A 337 2.260 24.420 8.141 1.00 9.19 C ATOM 464 C LEU A 337 1.075 24.884 8.977 1.00 10.62 C ATOM 465 O LEU A 337 0.816 26.078 9.088 1.00 9.64 O ATOM 466 CB LEU A 337 1.814 24.195 6.691 1.00 8.53 C ATOM 467 CG LEU A 337 2.869 23.600 5.757 1.00 9.92 C ATOM 468 CD1 LEU A 337 2.234 23.236 4.415 1.00 12.18 C ATOM 469 CD2 LEU A 337 4.070 24.540 5.572 1.00 9.69 C ATOM 470 H LEU A 337 2.556 22.281 8.304 1.00 0.00 H ATOM 471 N ALA A 338 0.347 23.939 9.561 1.00 9.78 N ATOM 472 CA ALA A 338 -0.774 24.290 10.421 1.00 8.06 C ATOM 473 C ALA A 338 -1.157 23.120 11.315 1.00 10.97 C ATOM 474 O ALA A 338 -0.837 21.966 11.022 1.00 9.30 O ATOM 475 CB ALA A 338 -1.975 24.732 9.570 1.00 10.35 C ATOM 476 H ALA A 338 0.580 22.938 9.402 1.00 0.00 H ATOM 477 N VAL A 339 -1.826 23.415 12.424 1.00 9.40 N ATOM 478 CA VAL A 339 -2.347 22.345 13.267 1.00 6.21 C ATOM 479 C VAL A 339 -3.765 22.731 13.667 1.00 7.02 C ATOM 480 O VAL A 339 -3.992 23.841 14.117 1.00 9.32 O ATOM 481 CB VAL A 339 -1.460 22.079 14.510 1.00 7.31 C ATOM 482 CG1 VAL A 339 -1.358 23.306 15.406 1.00 11.43 C ATOM 483 CG2 VAL A 339 -1.986 20.858 15.297 1.00 7.77 C ATOM 484 H VAL A 339 -1.978 24.409 12.691 1.00 0.00 H ATOM 485 N ASN A 340 -4.717 21.833 13.450 1.00 6.78 N ATOM 486 CA ASN A 340 -6.117 22.120 13.769 1.00 9.11 C ATOM 487 C ASN A 340 -6.622 23.466 13.246 1.00 11.43 C ATOM 488 O ASN A 340 -7.358 24.178 13.931 1.00 11.82 O ATOM 489 CB ASN A 340 -6.358 21.991 15.278 1.00 11.23 C ATOM 490 CG ASN A 340 -6.461 20.543 15.718 1.00 10.18 C ATOM 491 OD1 ASN A 340 -6.758 19.666 14.903 1.00 9.46 O ATOM 492 ND2 ASN A 340 -6.225 20.282 17.000 1.00 10.91 N ATOM 493 HD22 ASN A 340 -5.978 21.054 17.651 1.00 0.00 H ATOM 494 HD21 ASN A 340 -6.288 19.305 17.352 1.00 0.00 H ATOM 495 H ASN A 340 -4.464 20.909 13.046 1.00 0.00 H ATOM 496 N GLY A 341 -6.232 23.805 12.021 1.00 14.12 N ATOM 497 CA GLY A 341 -6.661 25.054 11.416 1.00 19.25 C ATOM 498 C GLY A 341 -5.890 26.282 11.867 1.00 21.48 C ATOM 499 O GLY A 341 -6.143 27.389 11.381 1.00 19.62 O ATOM 500 H GLY A 341 -5.610 23.165 11.487 1.00 0.00 H ATOM 501 N VAL A 342 -4.954 26.100 12.796 1.00 13.53 N ATOM 502 CA VAL A 342 -4.099 27.201 13.243 1.00 11.95 C ATOM 503 C VAL A 342 -2.840 27.272 12.387 1.00 15.34 C ATOM 504 O VAL A 342 -2.038 26.340 12.369 1.00 11.37 O ATOM 505 CB VAL A 342 -3.686 27.064 14.733 1.00 9.23 C ATOM 506 CG1 VAL A 342 -2.904 28.304 15.178 1.00 12.81 C ATOM 507 CG2 VAL A 342 -4.915 26.878 15.626 1.00 13.01 C ATOM 508 H VAL A 342 -4.828 25.156 13.213 1.00 0.00 H ATOM 509 N ASN A 343 -2.672 28.383 11.675 1.00 10.41 N ATOM 510 CA ASN A 343 -1.526 28.560 10.796 1.00 9.22 C ATOM 511 C ASN A 343 -0.237 28.662 11.598 1.00 11.71 C ATOM 512 O ASN A 343 -0.172 29.396 12.587 1.00 15.33 O ATOM 513 CB ASN A 343 -1.712 29.820 9.939 1.00 14.47 C ATOM 514 CG ASN A 343 -0.630 29.981 8.893 1.00 17.96 C ATOM 515 OD1 ASN A 343 0.126 29.053 8.616 1.00 17.92 O ATOM 516 ND2 ASN A 343 -0.556 31.165 8.299 1.00 23.79 N ATOM 517 HD22 ASN A 343 -1.217 31.923 8.565 1.00 0.00 H ATOM 518 HD21 ASN A 343 0.163 31.336 7.567 1.00 0.00 H ATOM 519 H ASN A 343 -3.377 29.144 11.748 1.00 0.00 H ATOM 520 N LEU A 344 0.786 27.923 11.175 1.00 11.21 N ATOM 521 CA LEU A 344 2.083 27.959 11.849 1.00 7.82 C ATOM 522 C LEU A 344 3.207 28.417 10.929 1.00 9.94 C ATOM 523 O LEU A 344 4.369 28.374 11.306 1.00 10.77 O ATOM 524 CB LEU A 344 2.429 26.576 12.421 1.00 8.02 C ATOM 525 CG LEU A 344 1.532 26.037 13.545 1.00 6.97 C ATOM 526 CD1 LEU A 344 1.893 24.592 13.877 1.00 10.54 C ATOM 527 CD2 LEU A 344 1.638 26.897 14.799 1.00 10.28 C ATOM 528 H LEU A 344 0.660 27.306 10.347 1.00 0.00 H ATOM 529 N ARG A 345 2.862 28.855 9.721 1.00 9.14 N ATOM 530 CA ARG A 345 3.872 29.232 8.735 1.00 13.03 C ATOM 531 C ARG A 345 4.700 30.453 9.148 1.00 13.50 C ATOM 532 O ARG A 345 5.849 30.594 8.731 1.00 15.82 O ATOM 533 CB ARG A 345 3.223 29.488 7.369 1.00 12.10 C ATOM 534 CG ARG A 345 2.613 28.260 6.696 1.00 15.37 C ATOM 535 CD ARG A 345 1.624 28.705 5.612 1.00 19.55 C ATOM 536 NE ARG A 345 1.018 27.615 4.838 1.00 19.72 N ATOM 537 CZ ARG A 345 -0.092 26.953 5.179 1.00 25.26 C ATOM 538 NH1 ARG A 345 -0.734 27.232 6.310 1.00 17.38 N ATOM 539 NH2 ARG A 345 -0.561 25.995 4.384 1.00 23.61 N ATOM 540 HE ARG A 345 1.490 27.336 3.954 1.00 0.00 H ATOM 541 HH12 ARG A 345 -1.596 26.708 6.561 1.00 0.00 H ATOM 542 HH11 ARG A 345 -0.374 27.974 6.943 1.00 0.00 H ATOM 543 HH22 ARG A 345 -1.424 25.478 4.646 1.00 0.00 H ATOM 544 HH21 ARG A 345 -0.064 25.763 3.500 1.00 0.00 H ATOM 545 H ARG A 345 1.855 28.930 9.474 1.00 0.00 H ATOM 546 N ASP A 346 4.118 31.331 9.930 1.00 10.72 N ATOM 547 CA ASP A 346 4.889 32.495 10.366 1.00 16.24 C ATOM 548 C ASP A 346 5.047 32.670 11.875 1.00 16.81 C ATOM 549 O ASP A 346 5.178 33.743 12.408 1.00 16.88 O ATOM 550 CB ASP A 346 4.446 33.752 9.676 1.00 28.95 C ATOM 551 CG ASP A 346 4.815 33.728 8.229 1.00 46.88 C ATOM 552 OD1 ASP A 346 3.927 33.512 7.444 1.00 54.40 O ATOM 553 OD2 ASP A 346 6.000 33.854 7.858 1.00 50.94 O ATOM 554 H ASP A 346 3.131 31.202 10.233 1.00 0.00 H ATOM 555 N THR A 347 5.058 31.538 12.515 1.00 14.35 N ATOM 556 CA THR A 347 5.103 31.544 13.966 1.00 12.99 C ATOM 557 C THR A 347 6.529 31.386 14.476 1.00 11.45 C ATOM 558 O THR A 347 7.350 30.661 13.884 1.00 9.94 O ATOM 559 CB THR A 347 4.177 30.461 14.547 1.00 18.39 C ATOM 560 OG1 THR A 347 4.738 29.163 14.322 1.00 22.46 O ATOM 561 CG2 THR A 347 2.815 30.545 13.852 1.00 12.38 C ATOM 562 HG1 THR A 347 4.843 29.014 13.349 1.00 0.00 H ATOM 563 H THR A 347 5.035 30.639 11.993 1.00 0.00 H ATOM 564 N LYS A 348 6.832 32.090 15.564 1.00 7.21 N ATOM 565 CA LYS A 348 8.111 31.919 16.235 1.00 7.87 C ATOM 566 C LYS A 348 8.156 30.583 16.960 1.00 6.28 C ATOM 567 O LYS A 348 7.121 29.978 17.238 1.00 8.79 O ATOM 568 CB LYS A 348 8.358 33.056 17.231 1.00 9.72 C ATOM 569 CG LYS A 348 8.349 34.440 16.584 1.00 12.23 C ATOM 570 CD LYS A 348 8.604 35.504 17.660 1.00 17.03 C ATOM 571 CE LYS A 348 8.079 36.863 17.256 1.00 33.50 C ATOM 572 NZ LYS A 348 8.476 37.901 18.246 1.00 36.24 N ATOM 573 HZ1 LYS A 348 8.087 37.655 19.179 1.00 0.00 H ATOM 574 HZ2 LYS A 348 9.514 37.946 18.302 1.00 0.00 H ATOM 575 HZ3 LYS A 348 8.104 38.825 17.946 1.00 0.00 H ATOM 576 H LYS A 348 6.144 32.773 15.940 1.00 0.00 H ATOM 577 N HIS A 349 9.366 30.131 17.277 1.00 5.75 N ATOM 578 CA HIS A 349 9.557 28.811 17.866 1.00 5.63 C ATOM 579 C HIS A 349 8.682 28.548 19.093 1.00 6.91 C ATOM 580 O HIS A 349 7.969 27.549 19.149 1.00 7.52 O ATOM 581 CB HIS A 349 11.030 28.584 18.218 1.00 9.81 C ATOM 582 CG HIS A 349 11.318 27.203 18.715 1.00 11.59 C ATOM 583 ND1 HIS A 349 11.614 26.152 17.871 1.00 10.77 N ATOM 584 CD2 HIS A 349 11.345 26.697 19.972 1.00 10.98 C ATOM 585 CE1 HIS A 349 11.813 25.059 18.589 1.00 7.71 C ATOM 586 NE2 HIS A 349 11.651 25.362 19.864 1.00 8.26 N ATOM 587 H HIS A 349 10.195 30.733 17.101 1.00 0.00 H ATOM 588 N LYS A 350 8.754 29.438 20.083 1.00 11.06 N ATOM 589 CA LYS A 350 8.014 29.234 21.327 1.00 5.74 C ATOM 590 C LYS A 350 6.516 29.439 21.154 1.00 6.79 C ATOM 591 O LYS A 350 5.714 28.826 21.866 1.00 7.76 O ATOM 592 CB LYS A 350 8.595 30.101 22.450 1.00 7.79 C ATOM 593 CG LYS A 350 9.991 29.635 22.851 1.00 9.04 C ATOM 594 CD LYS A 350 10.573 30.443 24.025 1.00 13.96 C ATOM 595 CE LYS A 350 9.803 30.208 25.320 1.00 17.17 C ATOM 596 NZ LYS A 350 10.345 31.011 26.471 1.00 13.07 N ATOM 597 HZ1 LYS A 350 11.338 30.749 26.638 1.00 0.00 H ATOM 598 HZ2 LYS A 350 10.286 32.024 26.244 1.00 0.00 H ATOM 599 HZ3 LYS A 350 9.785 30.813 27.325 1.00 0.00 H ATOM 600 H LYS A 350 9.343 30.287 19.969 1.00 0.00 H ATOM 601 N GLU A 351 6.129 30.284 20.203 1.00 7.44 N ATOM 602 CA GLU A 351 4.706 30.404 19.868 1.00 7.38 C ATOM 603 C GLU A 351 4.182 29.053 19.397 1.00 6.08 C ATOM 604 O GLU A 351 3.124 28.579 19.841 1.00 6.42 O ATOM 605 CB GLU A 351 4.486 31.463 18.784 1.00 7.50 C ATOM 606 CG GLU A 351 4.852 32.869 19.239 1.00 8.38 C ATOM 607 CD GLU A 351 4.777 33.892 18.128 1.00 9.18 C ATOM 608 OE1 GLU A 351 4.685 33.497 16.945 1.00 8.92 O ATOM 609 OE2 GLU A 351 4.812 35.102 18.436 1.00 12.67 O ATOM 610 H GLU A 351 6.834 30.858 19.698 1.00 0.00 H ATOM 611 N ALA A 352 4.928 28.418 18.498 1.00 6.53 N ATOM 612 CA ALA A 352 4.557 27.095 17.993 1.00 6.81 C ATOM 613 C ALA A 352 4.491 26.035 19.094 1.00 9.37 C ATOM 614 O ALA A 352 3.608 25.177 19.087 1.00 7.22 O ATOM 615 CB ALA A 352 5.517 26.657 16.875 1.00 9.20 C ATOM 616 H ALA A 352 5.795 28.872 18.146 1.00 0.00 H ATOM 617 N VAL A 353 5.425 26.085 20.037 1.00 7.27 N ATOM 618 CA VAL A 353 5.403 25.133 21.145 1.00 7.90 C ATOM 619 C VAL A 353 4.100 25.261 21.928 1.00 7.13 C ATOM 620 O VAL A 353 3.422 24.271 22.181 1.00 7.71 O ATOM 621 CB VAL A 353 6.606 25.328 22.085 1.00 10.62 C ATOM 622 CG1 VAL A 353 6.408 24.549 23.369 1.00 6.54 C ATOM 623 CG2 VAL A 353 7.913 24.942 21.376 1.00 6.51 C ATOM 624 H VAL A 353 6.174 26.804 19.986 1.00 0.00 H ATOM 625 N THR A 354 3.738 26.487 22.293 1.00 7.87 N ATOM 626 CA THR A 354 2.494 26.724 23.033 1.00 6.52 C ATOM 627 C THR A 354 1.278 26.234 22.248 1.00 5.27 C ATOM 628 O THR A 354 0.431 25.503 22.779 1.00 7.63 O ATOM 629 CB THR A 354 2.339 28.219 23.404 1.00 10.82 C ATOM 630 OG1 THR A 354 3.330 28.564 24.386 1.00 9.37 O ATOM 631 CG2 THR A 354 0.942 28.496 23.982 1.00 7.03 C ATOM 632 HG1 THR A 354 3.202 28.005 25.193 1.00 0.00 H ATOM 633 H THR A 354 4.348 27.293 22.049 1.00 0.00 H ATOM 634 N ILE A 355 1.204 26.612 20.976 1.00 5.82 N ATOM 635 CA ILE A 355 0.071 26.205 20.146 1.00 6.35 C ATOM 636 C ILE A 355 0.014 24.680 20.012 1.00 7.86 C ATOM 637 O ILE A 355 -1.035 24.066 20.216 1.00 7.16 O ATOM 638 CB ILE A 355 0.142 26.874 18.753 1.00 5.75 C ATOM 639 CG1 ILE A 355 -0.081 28.388 18.884 1.00 7.80 C ATOM 640 CG2 ILE A 355 -0.887 26.265 17.805 1.00 6.84 C ATOM 641 CD1 ILE A 355 0.373 29.183 17.663 1.00 8.52 C ATOM 642 H ILE A 355 1.957 27.202 20.568 1.00 0.00 H ATOM 643 N LEU A 356 1.140 24.064 19.659 1.00 5.17 N ATOM 644 CA LEU A 356 1.159 22.618 19.458 1.00 7.47 C ATOM 645 C LEU A 356 0.825 21.816 20.730 1.00 9.54 C ATOM 646 O LEU A 356 0.028 20.863 20.699 1.00 6.80 O ATOM 647 CB LEU A 356 2.514 22.200 18.870 1.00 6.66 C ATOM 648 CG LEU A 356 2.648 22.547 17.380 1.00 6.92 C ATOM 649 CD1 LEU A 356 4.107 22.599 16.958 1.00 5.75 C ATOM 650 CD2 LEU A 356 1.879 21.543 16.522 1.00 8.93 C ATOM 651 H LEU A 356 2.011 24.616 19.526 1.00 0.00 H ATOM 652 N SER A 357 1.426 22.203 21.853 1.00 6.60 N ATOM 653 CA SER A 357 1.202 21.480 23.108 1.00 7.00 C ATOM 654 C SER A 357 -0.216 21.642 23.667 1.00 11.09 C ATOM 655 O SER A 357 -0.645 20.842 24.496 1.00 10.79 O ATOM 656 CB SER A 357 2.253 21.872 24.155 1.00 10.63 C ATOM 657 OG SER A 357 3.545 21.493 23.717 1.00 7.72 O ATOM 658 HG SER A 357 3.572 20.513 23.581 1.00 0.00 H ATOM 659 H SER A 357 2.061 23.027 21.840 1.00 0.00 H ATOM 660 N GLN A 358 -0.941 22.660 23.207 1.00 8.31 N ATOM 661 CA GLN A 358 -2.331 22.876 23.623 1.00 5.72 C ATOM 662 C GLN A 358 -3.303 21.898 22.977 1.00 10.58 C ATOM 663 O GLN A 358 -4.414 21.708 23.476 1.00 11.70 O ATOM 664 CB GLN A 358 -2.804 24.290 23.273 1.00 5.68 C ATOM 665 CG GLN A 358 -2.356 25.330 24.258 1.00 13.19 C ATOM 666 CD GLN A 358 -2.805 26.712 23.859 1.00 16.72 C ATOM 667 OE1 GLN A 358 -3.490 26.885 22.851 1.00 21.51 O ATOM 668 NE2 GLN A 358 -2.419 27.709 24.642 1.00 15.53 N ATOM 669 HE22 GLN A 358 -1.840 27.515 25.484 1.00 0.00 H ATOM 670 HE21 GLN A 358 -2.695 28.686 24.414 1.00 0.00 H ATOM 671 H GLN A 358 -0.508 23.322 22.532 1.00 0.00 H ATOM 672 N GLN A 359 -2.905 21.293 21.860 1.00 6.22 N ATOM 673 CA GLN A 359 -3.850 20.457 21.117 1.00 4.97 C ATOM 674 C GLN A 359 -4.063 19.110 21.807 1.00 7.70 C ATOM 675 O GLN A 359 -3.124 18.525 22.371 1.00 9.18 O ATOM 676 CB GLN A 359 -3.390 20.265 19.659 1.00 5.17 C ATOM 677 CG GLN A 359 -3.028 21.564 18.930 1.00 6.28 C ATOM 678 CD GLN A 359 -4.125 22.620 19.029 1.00 10.96 C ATOM 679 OE1 GLN A 359 -5.301 22.340 18.770 1.00 10.32 O ATOM 680 NE2 GLN A 359 -3.746 23.836 19.423 1.00 9.26 N ATOM 681 HE22 GLN A 359 -2.745 24.027 19.630 1.00 0.00 H ATOM 682 HE21 GLN A 359 -4.451 24.594 19.523 1.00 0.00 H ATOM 683 H GLN A 359 -1.930 21.413 21.518 1.00 0.00 H ATOM 684 N ARG A 360 -5.301 18.612 21.767 1.00 6.88 N ATOM 685 CA ARG A 360 -5.633 17.376 22.464 1.00 9.14 C ATOM 686 C ARG A 360 -6.406 16.417 21.570 1.00 8.43 C ATOM 687 O ARG A 360 -7.148 16.843 20.680 1.00 10.02 O ATOM 688 CB ARG A 360 -6.475 17.678 23.717 1.00 11.50 C ATOM 689 CG ARG A 360 -5.766 18.528 24.770 1.00 17.22 C ATOM 690 CD ARG A 360 -6.745 18.967 25.854 1.00 22.51 C ATOM 691 NE ARG A 360 -7.319 17.813 26.540 1.00 28.23 N ATOM 692 CZ ARG A 360 -8.577 17.739 26.965 1.00 39.27 C ATOM 693 NH1 ARG A 360 -9.407 18.755 26.773 1.00 42.27 N ATOM 694 NH2 ARG A 360 -9.009 16.645 27.579 1.00 35.50 N ATOM 695 HE ARG A 360 -6.702 16.993 26.708 1.00 0.00 H ATOM 696 HH12 ARG A 360 -10.390 18.694 27.107 1.00 0.00 H ATOM 697 HH11 ARG A 360 -9.075 19.613 26.289 1.00 0.00 H ATOM 698 HH22 ARG A 360 -9.993 16.589 27.911 1.00 0.00 H ATOM 699 HH21 ARG A 360 -8.363 15.843 27.729 1.00 0.00 H ATOM 700 H ARG A 360 -6.038 19.113 21.231 1.00 0.00 H ATOM 701 N GLY A 361 -6.227 15.124 21.813 1.00 5.95 N ATOM 702 CA GLY A 361 -7.099 14.117 21.223 1.00 6.65 C ATOM 703 C GLY A 361 -6.840 13.838 19.755 1.00 8.09 C ATOM 704 O GLY A 361 -5.785 13.321 19.401 1.00 6.85 O ATOM 705 H GLY A 361 -5.450 14.825 22.436 1.00 0.00 H ATOM 706 N GLU A 362 -7.815 14.160 18.906 1.00 7.83 N ATOM 707 CA GLU A 362 -7.662 13.986 17.463 1.00 7.80 C ATOM 708 C GLU A 362 -7.173 15.280 16.843 1.00 11.91 C ATOM 709 O GLU A 362 -7.892 16.274 16.801 1.00 13.36 O ATOM 710 CB GLU A 362 -8.984 13.546 16.818 1.00 8.75 C ATOM 711 CG GLU A 362 -9.514 12.237 17.386 1.00 9.37 C ATOM 712 CD GLU A 362 -10.863 11.849 16.820 1.00 15.87 C ATOM 713 OE1 GLU A 362 -11.616 12.748 16.370 1.00 13.22 O ATOM 714 OE2 GLU A 362 -11.163 10.634 16.823 1.00 13.29 O ATOM 715 H GLU A 362 -8.706 14.544 19.279 1.00 0.00 H ATOM 716 N ILE A 363 -5.935 15.262 16.368 1.00 7.31 N ATOM 717 CA ILE A 363 -5.257 16.476 15.955 1.00 7.50 C ATOM 718 C ILE A 363 -4.882 16.407 14.477 1.00 11.69 C ATOM 719 O ILE A 363 -4.200 15.475 14.057 1.00 7.88 O ATOM 720 CB ILE A 363 -3.997 16.664 16.797 1.00 6.16 C ATOM 721 CG1 ILE A 363 -4.373 16.697 18.286 1.00 10.67 C ATOM 722 CG2 ILE A 363 -3.279 17.939 16.408 1.00 10.50 C ATOM 723 CD1 ILE A 363 -3.183 16.544 19.221 1.00 13.50 C ATOM 724 H ILE A 363 -5.437 14.353 16.289 1.00 0.00 H ATOM 725 N GLU A 364 -5.330 17.388 13.695 1.00 8.19 N ATOM 726 CA GLU A 364 -5.024 17.406 12.262 1.00 7.64 C ATOM 727 C GLU A 364 -3.845 18.309 11.954 1.00 10.30 C ATOM 728 O GLU A 364 -3.837 19.480 12.331 1.00 12.50 O ATOM 729 CB GLU A 364 -6.221 17.859 11.433 1.00 12.86 C ATOM 730 CG GLU A 364 -5.947 17.737 9.949 1.00 26.68 C ATOM 731 CD GLU A 364 -7.156 18.047 9.091 1.00 41.99 C ATOM 732 OE1 GLU A 364 -7.861 17.093 8.698 1.00 49.37 O ATOM 733 OE2 GLU A 364 -7.393 19.240 8.801 1.00 46.88 O ATOM 734 H GLU A 364 -5.904 18.151 14.107 1.00 0.00 H ATOM 735 N PHE A 365 -2.864 17.765 11.240 1.00 9.59 N ATOM 736 CA PHE A 365 -1.688 18.520 10.842 1.00 8.34 C ATOM 737 C PHE A 365 -1.729 18.770 9.348 1.00 13.07 C ATOM 738 O PHE A 365 -2.153 17.907 8.580 1.00 13.23 O ATOM 739 CB PHE A 365 -0.413 17.729 11.143 1.00 10.04 C ATOM 740 CG PHE A 365 -0.051 17.680 12.601 1.00 14.17 C ATOM 741 CD1 PHE A 365 -0.654 16.770 13.456 1.00 11.72 C ATOM 742 CD2 PHE A 365 0.905 18.541 13.116 1.00 15.93 C ATOM 743 CE1 PHE A 365 -0.320 16.730 14.799 1.00 11.31 C ATOM 744 CE2 PHE A 365 1.251 18.498 14.456 1.00 13.94 C ATOM 745 CZ PHE A 365 0.637 17.587 15.299 1.00 7.93 C ATOM 746 H PHE A 365 -2.941 16.767 10.957 1.00 0.00 H ATOM 747 N GLU A 366 -1.277 19.949 8.942 1.00 6.35 N ATOM 748 CA GLU A 366 -0.975 20.199 7.534 1.00 9.89 C ATOM 749 C GLU A 366 0.543 20.309 7.423 1.00 11.54 C ATOM 750 O GLU A 366 1.151 21.166 8.069 1.00 10.54 O ATOM 751 CB GLU A 366 -1.662 21.482 7.065 1.00 16.79 C ATOM 752 CG GLU A 366 -1.646 21.695 5.561 1.00 20.63 C ATOM 753 CD GLU A 366 -2.476 22.900 5.146 1.00 32.69 C ATOM 754 OE1 GLU A 366 -3.452 23.223 5.856 1.00 30.42 O ATOM 755 OE2 GLU A 366 -2.150 23.527 4.117 1.00 40.20 O ATOM 756 H GLU A 366 -1.135 20.709 9.638 1.00 0.00 H ATOM 757 N VAL A 367 1.155 19.439 6.615 1.00 9.29 N ATOM 758 CA VAL A 367 2.614 19.366 6.528 1.00 11.36 C ATOM 759 C VAL A 367 3.124 19.276 5.089 1.00 7.53 C ATOM 760 O VAL A 367 2.402 18.895 4.172 1.00 8.60 O ATOM 761 CB VAL A 367 3.177 18.139 7.317 1.00 10.45 C ATOM 762 CG1 VAL A 367 2.918 18.289 8.810 1.00 11.85 C ATOM 763 CG2 VAL A 367 2.573 16.819 6.789 1.00 8.07 C ATOM 764 H VAL A 367 0.580 18.797 6.033 1.00 0.00 H ATOM 765 N VAL A 368 4.389 19.620 4.901 1.00 7.36 N ATOM 766 CA VAL A 368 5.016 19.443 3.601 1.00 9.16 C ATOM 767 C VAL A 368 6.484 19.141 3.799 1.00 10.13 C ATOM 768 O VAL A 368 7.141 19.743 4.652 1.00 9.74 O ATOM 769 CB VAL A 368 4.826 20.681 2.702 1.00 10.44 C ATOM 770 CG1 VAL A 368 5.562 21.888 3.271 1.00 10.54 C ATOM 771 CG2 VAL A 368 5.279 20.387 1.276 1.00 8.13 C ATOM 772 H VAL A 368 4.938 20.020 5.689 1.00 0.00 H ATOM 773 N TYR A 369 6.980 18.181 3.026 1.00 8.73 N ATOM 774 CA TYR A 369 8.400 17.866 2.987 1.00 12.34 C ATOM 775 C TYR A 369 9.066 18.533 1.790 1.00 11.64 C ATOM 776 O TYR A 369 8.650 18.323 0.650 1.00 12.19 O ATOM 777 CB TYR A 369 8.596 16.356 2.867 1.00 16.10 C ATOM 778 CG TYR A 369 10.044 15.938 2.957 1.00 13.50 C ATOM 779 CD1 TYR A 369 10.582 15.484 4.152 1.00 14.03 C ATOM 780 CD2 TYR A 369 10.876 16.008 1.844 1.00 22.71 C ATOM 781 CE1 TYR A 369 11.916 15.106 4.234 1.00 17.18 C ATOM 782 CE2 TYR A 369 12.202 15.637 1.917 1.00 21.95 C ATOM 783 CZ TYR A 369 12.719 15.189 3.108 1.00 25.02 C ATOM 784 OH TYR A 369 14.047 14.822 3.159 1.00 27.51 O ATOM 785 HH TYR A 369 14.271 14.523 4.076 1.00 0.00 H ATOM 786 H TYR A 369 6.329 17.634 2.427 1.00 0.00 H ATOM 787 N VAL A 370 10.109 19.312 2.063 1.00 13.78 N ATOM 788 CA VAL A 370 10.885 19.973 1.022 1.00 21.91 C ATOM 789 C VAL A 370 12.318 19.443 0.994 1.00 24.58 C ATOM 790 O VAL A 370 12.944 19.288 2.046 1.00 25.73 O ATOM 791 CB VAL A 370 10.920 21.489 1.248 1.00 21.65 C ATOM 792 CG1 VAL A 370 11.749 22.168 0.170 1.00 26.41 C ATOM 793 CG2 VAL A 370 9.497 22.045 1.286 1.00 15.47 C ATOM 794 H VAL A 370 10.381 19.455 3.057 1.00 0.00 H TER 795 VAL A 370 HETATM 796 O HOH 1 -0.318 18.357 21.935 1.00 6.68 O HETATM 797 O HOH 2 5.909 26.473 9.877 1.00 11.32 O HETATM 798 O HOH 3 4.814 9.291 11.447 1.00 9.81 O HETATM 799 O HOH 4 6.333 9.980 17.967 1.00 8.86 O HETATM 800 O HOH 5 0.744 24.720 25.542 1.00 10.42 O HETATM 801 O HOH 6 5.262 16.534 1.334 1.00 13.38 O HETATM 802 O HOH 7 4.846 11.295 24.822 1.00 13.83 O HETATM 803 O HOH 8 6.164 28.605 24.579 1.00 10.99 O HETATM 804 O HOH 9 1.857 5.779 27.018 1.00 17.71 O HETATM 805 O HOH 10 -4.682 14.402 24.193 1.00 11.89 O HETATM 806 O HOH 11 -13.616 9.833 16.625 1.00 16.21 O HETATM 807 O HOH 12 3.169 24.604 26.750 1.00 15.00 O HETATM 808 O HOH 13 10.491 31.799 20.047 1.00 10.79 O HETATM 809 O HOH 14 11.181 10.269 10.032 1.00 15.73 O HETATM 810 O HOH 15 -10.391 8.809 18.659 1.00 13.12 O HETATM 811 O HOH 16 13.687 10.844 14.564 1.00 16.77 O HETATM 812 O HOH 17 3.126 27.221 26.660 1.00 14.87 O HETATM 813 O HOH 18 -2.218 6.939 19.536 1.00 16.71 O HETATM 814 O HOH 19 9.960 20.512 4.733 1.00 15.40 O HETATM 815 O HOH 20 8.807 30.711 9.731 1.00 18.94 O HETATM 816 O HOH 21 -7.730 18.341 18.387 1.00 18.95 O HETATM 817 O HOH 22 12.643 9.141 12.133 1.00 24.87 O HETATM 818 O HOH 23 -4.089 6.030 20.914 1.00 18.47 O HETATM 819 O HOH 24 7.183 29.348 11.505 1.00 17.71 O HETATM 820 O HOH 25 15.896 12.542 13.956 1.00 20.55 O HETATM 821 O HOH 26 2.936 1.636 20.867 1.00 29.78 O HETATM 822 O HOH 27 9.104 7.249 12.459 1.00 22.10 O HETATM 823 O HOH 28 1.473 31.751 11.237 1.00 18.49 O HETATM 824 O HOH 29 11.368 7.605 14.075 1.00 23.20 O HETATM 825 O HOH 30 -14.040 12.384 15.391 1.00 27.34 O HETATM 826 O HOH 31 -7.241 6.683 20.842 1.00 20.70 O HETATM 827 O HOH 32 18.184 22.602 14.288 1.00 32.28 O HETATM 828 O HOH 33 -10.490 15.390 19.707 1.00 22.16 O HETATM 829 O HOH 34 9.530 3.690 15.318 1.00 31.43 O HETATM 830 O HOH 35 10.298 23.385 4.518 1.00 23.37 O HETATM 831 O HOH 36 -8.236 13.952 24.721 1.00 34.77 O HETATM 832 O HOH 37 12.230 11.967 6.461 1.00 23.10 O HETATM 833 O HOH 38 8.031 4.899 23.097 1.00 27.62 O HETATM 834 O HOH 39 2.794 6.825 24.713 1.00 25.86 O HETATM 835 O HOH 40 8.891 8.485 10.185 1.00 31.23 O HETATM 836 O HOH 41 6.188 12.073 2.533 1.00 38.73 O HETATM 837 O HOH 42 7.791 13.379 4.516 1.00 23.21 O HETATM 838 O HOH 43 5.381 5.347 26.202 1.00 27.39 O HETATM 839 O HOH 44 -11.546 15.101 14.373 1.00 29.55 O HETATM 840 O HOH 45 13.126 19.308 4.841 1.00 32.70 O HETATM 841 O HOH 46 16.982 15.851 12.315 1.00 32.44 O HETATM 842 O HOH 47 -1.342 15.196 -0.498 1.00 38.84 O HETATM 843 O HOH 48 -7.448 24.022 18.450 1.00 39.38 O HETATM 844 O HOH 49 5.287 2.909 16.541 1.00 37.52 O HETATM 845 O HOH 50 6.156 39.528 17.416 1.00 37.32 O HETATM 846 O HOH 51 -9.437 20.308 18.691 1.00 41.83 O HETATM 847 O HOH 52 5.953 6.568 11.349 1.00 14.87 O HETATM 848 O HOH 53 8.175 25.275 3.211 1.00 34.23 O HETATM 849 O HOH 54 5.160 5.665 8.771 1.00 24.49 O HETATM 850 O HOH 55 6.014 35.834 14.151 1.00 27.64 O HETATM 851 O HOH 56 0.002 22.613 27.273 1.00 27.97 O HETATM 852 O HOH 57 10.109 11.812 4.424 1.00 34.67 O HETATM 853 O HOH 58 -2.474 19.317 25.618 1.00 36.55 O HETATM 854 O HOH 59 -7.866 27.852 9.264 1.00 43.42 O HETATM 855 O HOH 60 -4.405 30.623 11.758 1.00 26.59 O HETATM 856 O HOH 61 14.165 31.002 19.412 1.00 35.88 O HETATM 857 O HOH 62 18.139 15.618 14.743 1.00 33.35 O HETATM 858 O HOH 63 3.772 1.553 18.292 1.00 38.54 O HETATM 859 O HOH 64 -7.532 20.427 21.247 1.00 20.24 O HETATM 860 O HOH 65 1.634 11.929 4.946 1.00 15.93 O HETATM 861 O HOH 66 6.487 14.244 0.192 1.00 21.26 O HETATM 862 O HOH 67 10.431 7.594 22.708 1.00 25.53 O HETATM 863 O HOH 68 -3.244 14.704 2.354 1.00 25.84 O HETATM 864 O HOH 69 -2.737 17.145 24.768 1.00 36.70 O HETATM 865 O HOH 70 9.910 18.122 -3.114 1.00 20.76 O HETATM 866 O HOH 71 -1.572 12.198 2.173 1.00 32.40 O HETATM 867 O HOH 72 -5.403 22.170 26.012 1.00 33.14 O HETATM 868 O HOH 73 -12.565 9.923 20.352 1.00 37.32 O HETATM 869 O HOH 74 9.774 30.827 6.529 1.00 46.18 O HETATM 870 O HOH 75 12.718 24.377 4.133 1.00 38.99 O HETATM 871 O HOH 76 6.614 27.905 7.605 1.00 38.06 O HETATM 872 O HOH 77 -5.453 26.138 21.202 1.00 42.03 O HETATM 873 O HOH 78 -9.418 19.248 13.678 1.00 37.33 O HETATM 874 O HOH 79 5.072 2.577 22.135 1.00 36.18 O HETATM 875 O HOH 80 -1.139 18.442 -2.203 1.00 33.62 O HETATM 876 O HOH 81 -9.905 15.842 23.806 1.00 43.14 O HETATM 877 O HOH 82 16.867 11.648 11.762 1.00 41.95 O HETATM 878 O HOH 83 15.546 10.794 9.144 1.00 39.85 O HETATM 879 O HOH 84 -8.355 21.260 11.300 1.00 42.12 O HETATM 880 O HOH 85 3.740 18.829 24.333 1.00 7.36 O HETATM 881 O HOH 86 10.527 26.109 23.806 1.00 8.36 O HETATM 882 O HOH 87 12.044 20.333 25.130 1.00 8.02 O HETATM 883 O HOH 88 14.112 22.252 25.426 1.00 13.69 O HETATM 884 O HOH 89 13.625 24.512 23.848 1.00 21.61 O HETATM 885 O HOH 90 16.714 19.507 16.174 1.00 24.31 O HETATM 886 O HOH 91 17.326 17.075 17.441 1.00 39.15 O HETATM 887 O HOH 92 17.788 23.941 21.785 1.00 25.16 O HETATM 888 O HOH 93 19.033 22.480 18.283 1.00 33.75 O HETATM 889 O HOH 94 16.568 14.659 24.267 1.00 26.21 O HETATM 890 O HOH 95 16.398 18.076 22.627 1.00 36.52 O HETATM 891 O HOH 96 8.601 14.350 22.276 1.00 22.15 O HETATM 892 O HOH 97 15.764 20.774 23.970 1.00 27.63 O HETATM 893 O HOH 98 20.232 29.167 16.412 1.00 31.73 O HETATM 894 O HOH 99 18.086 19.766 13.969 1.00 46.25 O HETATM 895 N TRP A 100 19.648 26.582 15.323 1.00 0.24 N HETATM 896 CA TRP A 100 18.318 26.911 15.820 1.00 0.07 C HETATM 897 C TRP A 100 17.976 26.087 17.058 1.00 0.23 C HETATM 898 O TRP A 100 18.462 24.967 17.217 1.00 -0.39 O HETATM 899 N TRP A 100 17.104 26.628 17.922 1.00 -0.25 N HETATM 900 CA TRP A 100 16.646 25.899 19.107 1.00 0.13 C HETATM 901 C TRP A 100 15.782 24.695 18.736 1.00 0.20 C HETATM 902 O TRP A 100 15.145 24.666 17.674 1.00 -0.39 O HETATM 903 N TRP A 100 15.756 23.715 19.628 1.00 -0.26 N HETATM 904 CA TRP A 100 14.947 22.518 19.427 1.00 0.16 C HETATM 905 C TRP A 100 14.147 22.265 20.683 1.00 0.21 C HETATM 906 O TRP A 100 14.673 22.388 21.786 1.00 -0.39 O HETATM 907 N TRP A 100 12.867 21.938 20.524 1.00 -0.26 N HETATM 908 CA TRP A 100 12.027 21.604 21.667 1.00 0.15 C HETATM 909 C TRP A 100 11.387 20.246 21.417 1.00 0.21 C HETATM 910 O TRP A 100 10.949 19.961 20.298 1.00 -0.39 O HETATM 911 N TRP A 100 11.335 19.405 22.447 1.00 -0.26 N HETATM 912 CA TRP A 100 10.556 18.171 22.369 1.00 0.13 C HETATM 913 C TRP A 100 9.163 18.486 22.855 1.00 0.20 C HETATM 914 O TRP A 100 9.002 19.145 23.892 1.00 -0.39 O HETATM 915 N TRP A 100 8.166 18.025 22.103 1.00 -0.27 N HETATM 916 CA TRP A 100 6.772 18.292 22.428 1.00 0.10 C HETATM 917 C TRP A 100 5.918 17.051 22.214 1.00 0.06 C HETATM 918 O TRP A 100 6.366 16.006 21.710 1.00 -0.57 O HETATM 919 OXT TRP A 100 4.743 17.073 22.567 1.00 -0.57 O HETATM 920 CB TRP A 100 6.190 19.439 21.565 1.00 -0.01 C HETATM 921 CG1 TRP A 100 6.315 19.087 20.077 1.00 -0.05 C HETATM 922 CD1 TRP A 100 5.716 20.132 19.140 1.00 -0.06 C HETATM 923 H TRP A 100 5.846 19.807 18.097 1.00 0.02 H HETATM 924 H TRP A 100 6.227 21.095 19.290 1.00 0.02 H HETATM 925 H TRP A 100 4.644 20.248 19.357 1.00 0.02 H HETATM 926 H TRP A 100 5.800 18.131 19.903 1.00 0.03 H HETATM 927 H TRP A 100 7.383 18.978 19.836 1.00 0.03 H HETATM 928 CG2 TRP A 100 6.903 20.755 21.872 1.00 -0.06 C HETATM 929 H TRP A 100 6.800 20.987 22.942 1.00 0.02 H HETATM 930 H TRP A 100 6.453 21.563 21.277 1.00 0.02 H HETATM 931 H TRP A 100 7.969 20.662 21.618 1.00 0.02 H HETATM 932 H TRP A 100 5.124 19.556 21.809 1.00 0.03 H HETATM 933 H TRP A 100 6.716 18.584 23.487 1.00 0.07 H HETATM 934 H TRP A 100 8.380 17.480 21.292 1.00 0.19 H HETATM 935 CB TRP A 100 11.151 17.069 23.254 1.00 -0.01 C HETATM 936 CG TRP A 100 12.562 16.676 22.884 1.00 -0.05 C HETATM 937 CD TRP A 100 12.868 15.290 23.398 1.00 -0.03 C HETATM 938 CE TRP A 100 12.907 15.253 24.922 1.00 0.03 C HETATM 939 NZ TRP A 100 14.080 16.018 25.434 1.00 -0.29 N HETATM 940 C02 TRP A 100 13.917 17.320 26.074 1.00 0.20 C HETATM 941 O01 TRP A 100 12.781 17.850 26.163 1.00 -0.39 O HETATM 942 C04 TRP A 100 15.112 18.108 26.460 1.00 0.05 C HETATM 943 C05 TRP A 100 16.365 17.707 26.029 1.00 -0.04 C HETATM 944 C06 TRP A 100 17.482 18.444 26.385 1.00 -0.02 C HETATM 945 C07 TRP A 100 17.343 19.576 27.174 1.00 0.14 C HETATM 946 F08 TRP A 100 18.417 20.279 27.513 1.00 -0.18 F HETATM 947 C09 TRP A 100 16.088 19.974 27.606 1.00 -0.02 C HETATM 948 C10 TRP A 100 14.968 19.238 27.251 1.00 -0.04 C HETATM 949 H TRP A 100 13.985 19.544 27.590 1.00 0.07 H HETATM 950 H TRP A 100 15.982 20.860 28.221 1.00 0.06 H HETATM 951 H TRP A 100 18.465 18.136 26.047 1.00 0.06 H HETATM 952 H TRP A 100 16.471 16.820 25.415 1.00 0.07 H HETATM 953 H TRP A 100 14.997 15.631 25.337 1.00 0.18 H HETATM 954 H TRP A 100 12.983 14.208 25.257 1.00 0.05 H HETATM 955 H TRP A 100 11.983 15.699 25.319 1.00 0.05 H HETATM 956 H TRP A 100 13.846 14.972 23.008 1.00 0.03 H HETATM 957 H TRP A 100 12.090 14.598 23.044 1.00 0.03 H HETATM 958 H TRP A 100 13.268 17.393 23.329 1.00 0.03 H HETATM 959 H TRP A 100 12.668 16.689 21.789 1.00 0.03 H HETATM 960 H TRP A 100 10.512 16.178 23.173 1.00 0.03 H HETATM 961 H TRP A 100 11.153 17.425 24.295 1.00 0.03 H HETATM 962 H TRP A 100 10.523 17.821 21.327 1.00 0.08 H HETATM 963 H TRP A 100 11.836 19.620 23.285 1.00 0.19 H HETATM 964 CB TRP A 100 10.924 22.657 21.865 1.00 0.08 C HETATM 965 OG TRP A 100 11.481 23.935 22.148 1.00 -0.39 O HETATM 966 H TRP A 100 12.000 23.884 22.942 1.00 0.21 H HETATM 967 H TRP A 100 10.282 22.351 22.704 1.00 0.06 H HETATM 968 H TRP A 100 10.321 22.723 20.947 1.00 0.06 H HETATM 969 H TRP A 100 12.649 21.558 22.573 1.00 0.08 H HETATM 970 H TRP A 100 12.475 21.921 19.604 1.00 0.19 H HETATM 971 CB TRP A 100 15.823 21.293 19.147 1.00 0.09 C HETATM 972 OG1 TRP A 100 16.598 21.527 17.963 1.00 -0.39 O HETATM 973 H TRP A 100 17.149 22.290 18.092 1.00 0.21 H HETATM 974 CG2 TRP A 100 14.956 20.052 18.937 1.00 -0.03 C HETATM 975 H TRP A 100 15.601 19.184 18.738 1.00 0.03 H HETATM 976 H TRP A 100 14.285 20.214 18.081 1.00 0.03 H HETATM 977 H TRP A 100 14.358 19.865 19.841 1.00 0.03 H HETATM 978 H TRP A 100 16.496 21.126 20.001 1.00 0.06 H HETATM 979 H TRP A 100 14.267 22.678 18.578 1.00 0.08 H HETATM 980 H TRP A 100 16.305 23.798 20.460 1.00 0.19 H HETATM 981 CB TRP A 100 15.792 26.936 19.842 1.00 -0.01 C HETATM 982 CG TRP A 100 15.275 27.811 18.753 1.00 -0.03 C HETATM 983 CD TRP A 100 16.425 27.927 17.785 1.00 0.04 C HETATM 984 H TRP A 100 16.063 28.078 16.757 1.00 0.05 H HETATM 985 H TRP A 100 17.094 28.755 18.063 1.00 0.05 H HETATM 986 H TRP A 100 14.997 28.800 19.147 1.00 0.03 H HETATM 987 H TRP A 100 14.402 27.352 18.266 1.00 0.03 H HETATM 988 H TRP A 100 16.402 27.514 20.552 1.00 0.03 H HETATM 989 H TRP A 100 14.964 26.451 20.380 1.00 0.03 H HETATM 990 H TRP A 100 17.497 25.570 19.721 1.00 0.08 H HETATM 991 CB TRP A 100 17.257 26.632 14.758 1.00 0.02 C HETATM 992 CG TRP A 100 17.601 27.077 13.368 1.00 -0.04 C HETATM 993 CD1 TRP A 100 18.197 28.252 12.994 1.00 0.02 C HETATM 994 NE1 TRP A 100 18.338 28.292 11.624 1.00 -0.29 N HETATM 995 CE2 TRP A 100 17.835 27.133 11.092 1.00 0.06 C HETATM 996 CD2 TRP A 100 17.357 26.347 12.162 1.00 -0.02 C HETATM 997 CE3 TRP A 100 16.787 25.102 11.883 1.00 -0.07 C HETATM 998 CZ3 TRP A 100 16.711 24.685 10.564 1.00 -0.08 C HETATM 999 CH2 TRP A 100 17.194 25.489 9.522 1.00 -0.08 C HETATM 1000 CZ2 TRP A 100 17.755 26.712 9.764 1.00 -0.04 C HETATM 1001 H TRP A 100 18.124 27.331 8.955 1.00 0.05 H HETATM 1002 H TRP A 100 17.121 25.133 8.501 1.00 0.05 H HETATM 1003 H TRP A 100 16.271 23.721 10.334 1.00 0.05 H HETATM 1004 H TRP A 100 16.412 24.474 12.683 1.00 0.05 H HETATM 1005 H TRP A 100 18.754 29.067 11.087 1.00 0.22 H HETATM 1006 H TRP A 100 18.513 29.038 13.678 1.00 0.08 H HETATM 1007 H TRP A 100 16.333 27.146 15.059 1.00 0.04 H HETATM 1008 H TRP A 100 17.081 25.547 14.732 1.00 0.04 H HETATM 1009 H TRP A 100 18.296 27.979 16.081 1.00 0.11 H HETATM 1010 H TRP A 100 19.849 27.139 14.507 1.00 0.20 H HETATM 1011 H TRP A 100 19.684 25.604 15.080 1.00 0.20 H HETATM 1012 H TRP A 100 20.331 26.776 16.038 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 895 896 1010 1011 1012 CONECT 896 895 897 991 1009 CONECT 897 896 898 899 CONECT 898 897 CONECT 899 897 900 983 CONECT 900 899 901 981 990 CONECT 901 900 902 903 CONECT 902 901 CONECT 903 901 904 980 CONECT 904 903 905 971 979 CONECT 905 904 906 907 CONECT 906 905 CONECT 907 905 908 970 CONECT 908 907 909 964 969 CONECT 909 908 910 911 CONECT 910 909 CONECT 911 909 912 963 CONECT 912 911 913 935 962 CONECT 913 912 914 915 CONECT 914 913 CONECT 915 913 916 934 CONECT 916 915 917 920 933 CONECT 917 916 918 919 CONECT 918 917 CONECT 919 917 CONECT 920 916 921 928 932 CONECT 921 920 922 926 927 CONECT 922 921 923 924 925 CONECT 923 922 CONECT 924 922 CONECT 925 922 CONECT 926 921 CONECT 927 921 CONECT 928 920 929 930 931 CONECT 929 928 CONECT 930 928 CONECT 931 928 CONECT 932 920 CONECT 933 916 CONECT 934 915 CONECT 935 912 936 960 961 CONECT 936 935 937 958 959 CONECT 937 936 938 956 957 CONECT 938 937 939 954 955 CONECT 939 938 940 953 CONECT 940 939 941 942 CONECT 941 940 CONECT 942 940 943 948 CONECT 943 942 944 952 CONECT 944 943 945 951 CONECT 945 944 946 947 CONECT 946 945 CONECT 947 945 948 950 CONECT 948 942 947 949 CONECT 949 948 CONECT 950 947 CONECT 951 944 CONECT 952 943 CONECT 953 939 CONECT 954 938 CONECT 955 938 CONECT 956 937 CONECT 957 937 CONECT 958 936 CONECT 959 936 CONECT 960 935 CONECT 961 935 CONECT 962 912 CONECT 963 911 CONECT 964 908 965 967 968 CONECT 965 964 966 CONECT 966 965 CONECT 967 964 CONECT 968 964 CONECT 969 908 CONECT 970 907 CONECT 971 904 972 974 978 CONECT 972 971 973 CONECT 973 972 CONECT 974 971 975 976 977 CONECT 975 974 CONECT 976 974 CONECT 977 974 CONECT 978 971 CONECT 979 904 CONECT 980 903 CONECT 981 900 982 988 989 CONECT 982 981 983 986 987 CONECT 983 899 982 984 985 CONECT 984 983 CONECT 985 983 CONECT 986 982 CONECT 987 982 CONECT 988 981 CONECT 989 981 CONECT 990 900 CONECT 991 896 992 1007 1008 CONECT 992 991 993 996 CONECT 993 992 994 1006 CONECT 994 993 995 1005 CONECT 995 994 996 1000 CONECT 996 992 995 997 CONECT 997 996 998 1004 CONECT 998 997 999 1003 CONECT 999 998 1000 1002 CONECT 1000 995 999 1001 CONECT 1001 1000 CONECT 1002 999 CONECT 1003 998 CONECT 1004 997 CONECT 1005 994 CONECT 1006 993 CONECT 1007 991 CONECT 1008 991 CONECT 1009 896 CONECT 1010 895 CONECT 1011 895 CONECT 1012 895 MASTER 0 0 0 0 0 0 0 0 1011 1 122 7 END
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Related entries of code: 4nms
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4e34
RCSB PDB
PDBbind
87aa, >4E34_1|Chains... *
4e35
RCSB PDB
PDBbind
87aa, >4E35_1|Chains... at 100%
4joe
RCSB PDB
PDBbind
87aa, >4JOE_1|Chains... at 100%
4jof
RCSB PDB
PDBbind
87aa, >4JOF_1|Chains... at 100%
4jog
RCSB PDB
PDBbind
87aa, >4JOG_1|Chains... at 100%
4joh
RCSB PDB
PDBbind
87aa, >4JOH_1|Chains... at 100%
4joj
RCSB PDB
PDBbind
87aa, >4JOJ_1|Chains... at 100%
4jok
RCSB PDB
PDBbind
87aa, >4JOK_1|Chains... at 100%
4k6y
RCSB PDB
PDBbind
87aa, >4K6Y_1|Chains... at 100%
4k72
RCSB PDB
PDBbind
87aa, >4K72_1|Chains... at 100%
4k75
RCSB PDB
PDBbind
87aa, >4K75_1|Chain... at 100%
4k76
RCSB PDB
PDBbind
87aa, >4K76_1|Chains... at 100%
4k78
RCSB PDB
PDBbind
87aa, >4K78_1|Chain... at 98%
4nmo
RCSB PDB
PDBbind
87aa, >4NMO_1|Chains... at 100%
4nmp
RCSB PDB
PDBbind
87aa, >4NMP_1|Chains... at 100%
4nmq
RCSB PDB
PDBbind
87aa, >4NMQ_1|Chains... at 100%
4nmr
RCSB PDB
PDBbind
87aa, >4NMR_1|Chains... at 100%
4nmt
RCSB PDB
PDBbind
87aa, >4NMT_1|Chains... at 100%
4nmv
RCSB PDB
PDBbind
87aa, >4NMV_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
RCSB PDB
PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
4nms
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Golgi-associated PDZ and coiled-coil motif-containing protein CAL PDZ (CALP) domain
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=11.4uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Plos One Vol. 9. e103650: pp.1-9
Ligand Properties
Formula
C
4
2
H
5
8
FN
8
O
1
0
Molecular Weight
853.956
Exact Mass
853.426
No. of atoms
119
No. of bonds
122
Polar Surface Area
287
LOGP Value
0.07 (
Computed with XLOGP3
)
1.39 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 29
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 4
Canonical SMILES
CC[C@@H]([C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2c1cccc2)[NH3+])CO)CCCCNC(=O)c1ccc(cc1)F)C
InChI String
InChI=1S/C42H57FN8O10/c1-4-23(2)34(42(60)61)49-37(55)31(12-7-8-18-45-36(54)25-14-16-27(43)17-15-25)47-38(56)32(22-52)48-40(58)35(24(3)53)50-39(57)33-13-9-19-51(33)41(59)29(44)20-26-21-46-30-11-6-5-10-28(26)30/h5-6,10-11,14-17,21,23-24,29,31-35,46,52-53H,4,7-9,12-13,18-20,22,44H2,1-3H3,(H,45,54)(H,47,56)(H,48,58)(H,49,55)(H,50,57)(H,60,61)/p+1/t23-,24+,29-,31-,32-,33-,34-,35-/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):
Q9HD26
Entrez Gene ID
NCBI Entrez Gene ID:
57120
ASD
Information of known allosteric effects of PDB entries
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