Browse entries in the PDBbind-CN Database
HEADER 4NMV_COMPLEX COMPND 4NMV_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 191 118 ATOM 1 N GLY A 284 7.680 18.819 -1.889 1.00 11.96 N ATOM 2 CA GLY A 284 6.676 17.795 -2.104 1.00 9.55 C ATOM 3 C GLY A 284 5.275 18.341 -1.948 1.00 7.07 C ATOM 4 O GLY A 284 5.090 19.540 -1.730 1.00 7.91 O ATOM 5 HN3 GLY A 284 7.583 19.201 -0.927 1.00 0.00 H ATOM 6 HN2 GLY A 284 7.548 19.583 -2.582 1.00 0.00 H ATOM 7 HN1 GLY A 284 8.627 18.404 -2.005 1.00 0.00 H ATOM 8 N PRO A 285 4.275 17.470 -2.044 1.00 9.77 N ATOM 9 CA PRO A 285 2.885 17.916 -1.943 1.00 7.30 C ATOM 10 C PRO A 285 2.517 18.306 -0.516 1.00 9.35 C ATOM 11 O PRO A 285 3.032 17.739 0.442 1.00 9.65 O ATOM 12 CB PRO A 285 2.097 16.671 -2.359 1.00 9.60 C ATOM 13 CG PRO A 285 3.014 15.518 -2.022 1.00 12.39 C ATOM 14 CD PRO A 285 4.391 16.025 -2.313 1.00 10.65 C ATOM 15 N ILE A 286 1.634 19.278 -0.369 1.00 7.81 N ATOM 16 CA ILE A 286 1.080 19.551 0.945 1.00 10.21 C ATOM 17 C ILE A 286 0.181 18.375 1.337 1.00 10.00 C ATOM 18 O ILE A 286 -0.584 17.856 0.511 1.00 12.16 O ATOM 19 CB ILE A 286 0.325 20.883 0.966 1.00 10.83 C ATOM 20 CG1 ILE A 286 1.307 22.039 0.726 1.00 13.25 C ATOM 21 CG2 ILE A 286 -0.397 21.061 2.298 1.00 10.09 C ATOM 22 CD1 ILE A 286 0.650 23.397 0.560 1.00 16.62 C ATOM 23 H ILE A 286 1.338 19.844 -1.190 1.00 0.00 H ATOM 24 N ARG A 287 0.305 17.915 2.582 1.00 7.36 N ATOM 25 CA ARG A 287 -0.455 16.766 3.080 1.00 8.77 C ATOM 26 C ARG A 287 -1.232 17.137 4.332 1.00 7.49 C ATOM 27 O ARG A 287 -0.779 17.965 5.135 1.00 9.24 O ATOM 28 CB ARG A 287 0.484 15.611 3.469 1.00 9.83 C ATOM 29 CG ARG A 287 1.268 14.994 2.332 1.00 12.67 C ATOM 30 CD ARG A 287 2.748 15.020 2.617 1.00 10.41 C ATOM 31 NE ARG A 287 3.099 14.375 3.888 1.00 8.72 N ATOM 32 CZ ARG A 287 4.182 14.686 4.587 1.00 7.02 C ATOM 33 NH1 ARG A 287 5.005 15.629 4.155 1.00 7.98 N ATOM 34 NH2 ARG A 287 4.437 14.071 5.731 1.00 6.87 N ATOM 35 HE ARG A 287 2.467 13.637 4.259 1.00 0.00 H ATOM 36 HH12 ARG A 287 5.854 15.871 4.705 1.00 0.00 H ATOM 37 HH11 ARG A 287 4.803 16.128 3.265 1.00 0.00 H ATOM 38 HH22 ARG A 287 5.288 14.318 6.276 1.00 0.00 H ATOM 39 HH21 ARG A 287 3.787 13.341 6.085 1.00 0.00 H ATOM 40 H ARG A 287 0.968 18.391 3.226 1.00 0.00 H ATOM 41 N LYS A 288 -2.393 16.520 4.507 1.00 8.69 N ATOM 42 CA LYS A 288 -3.134 16.627 5.752 1.00 8.83 C ATOM 43 C LYS A 288 -3.014 15.292 6.469 1.00 7.49 C ATOM 44 O LYS A 288 -3.252 14.238 5.876 1.00 11.24 O ATOM 45 CB LYS A 288 -4.596 16.992 5.494 1.00 14.85 C ATOM 46 CG LYS A 288 -4.742 18.351 4.810 1.00 22.82 C ATOM 47 CD LYS A 288 -5.810 19.231 5.448 1.00 31.97 C ATOM 48 CE LYS A 288 -7.189 18.922 4.898 1.00 37.56 C ATOM 49 NZ LYS A 288 -8.198 19.913 5.371 1.00 42.54 N ATOM 50 HZ1 LYS A 288 -8.244 19.891 6.410 1.00 0.00 H ATOM 51 HZ2 LYS A 288 -7.922 20.865 5.055 1.00 0.00 H ATOM 52 HZ3 LYS A 288 -9.130 19.672 4.977 1.00 0.00 H ATOM 53 H LYS A 288 -2.783 15.945 3.733 1.00 0.00 H ATOM 54 N VAL A 289 -2.621 15.340 7.739 1.00 6.21 N ATOM 55 CA VAL A 289 -2.297 14.149 8.515 1.00 6.08 C ATOM 56 C VAL A 289 -3.019 14.202 9.842 1.00 6.92 C ATOM 57 O VAL A 289 -3.020 15.231 10.505 1.00 7.97 O ATOM 58 CB VAL A 289 -0.768 14.075 8.752 1.00 6.36 C ATOM 59 CG1 VAL A 289 -0.413 12.923 9.684 1.00 7.81 C ATOM 60 CG2 VAL A 289 -0.036 13.943 7.414 1.00 10.41 C ATOM 61 H VAL A 289 -2.541 16.269 8.199 1.00 0.00 H ATOM 62 N LEU A 290 -3.634 13.094 10.238 1.00 4.90 N ATOM 63 CA LEU A 290 -4.328 12.997 11.516 1.00 5.36 C ATOM 64 C LEU A 290 -3.456 12.297 12.548 1.00 5.16 C ATOM 65 O LEU A 290 -2.849 11.263 12.263 1.00 6.04 O ATOM 66 CB LEU A 290 -5.637 12.222 11.337 1.00 5.71 C ATOM 67 CG LEU A 290 -6.496 12.084 12.589 1.00 6.76 C ATOM 68 CD1 LEU A 290 -7.014 13.435 13.059 1.00 12.08 C ATOM 69 CD2 LEU A 290 -7.645 11.146 12.308 1.00 8.62 C ATOM 70 H LEU A 290 -3.620 12.263 9.612 1.00 0.00 H ATOM 71 N LEU A 291 -3.404 12.864 13.745 1.00 4.42 N ATOM 72 CA LEU A 291 -2.667 12.289 14.863 1.00 4.07 C ATOM 73 C LEU A 291 -3.635 12.121 16.029 1.00 5.27 C ATOM 74 O LEU A 291 -4.444 13.014 16.313 1.00 6.00 O ATOM 75 CB LEU A 291 -1.489 13.206 15.231 1.00 5.95 C ATOM 76 CG LEU A 291 -0.611 12.815 16.419 1.00 6.07 C ATOM 77 CD1 LEU A 291 0.774 13.407 16.223 1.00 5.91 C ATOM 78 CD2 LEU A 291 -1.230 13.309 17.719 1.00 6.27 C ATOM 79 H LEU A 291 -3.912 13.759 13.893 1.00 0.00 H ATOM 80 N LEU A 292 -3.581 10.962 16.672 1.00 4.91 N ATOM 81 CA LEU A 292 -4.400 10.672 17.839 1.00 5.44 C ATOM 82 C LEU A 292 -3.495 10.593 19.042 1.00 5.82 C ATOM 83 O LEU A 292 -2.529 9.846 19.060 1.00 6.71 O ATOM 84 CB LEU A 292 -5.140 9.339 17.670 1.00 6.07 C ATOM 85 CG LEU A 292 -6.558 9.442 17.118 1.00 7.96 C ATOM 86 CD1 LEU A 292 -6.637 10.215 15.812 1.00 8.27 C ATOM 87 CD2 LEU A 292 -7.162 8.056 16.970 1.00 7.08 C ATOM 88 H LEU A 292 -2.926 10.231 16.328 1.00 0.00 H ATOM 89 N LYS A 293 -3.796 11.375 20.057 1.00 8.69 N ATOM 90 CA LYS A 293 -3.051 11.197 21.275 1.00 12.71 C ATOM 91 C LYS A 293 -3.892 11.289 22.501 1.00 11.25 C ATOM 92 O LYS A 293 -4.957 11.905 22.520 1.00 9.49 O ATOM 93 CB LYS A 293 -1.890 12.166 21.369 1.00 11.30 C ATOM 94 CG LYS A 293 -2.261 13.574 21.747 1.00 15.88 C ATOM 95 CD LYS A 293 -0.991 14.310 22.197 1.00 16.15 C ATOM 96 CE LYS A 293 -1.296 15.509 23.050 1.00 17.21 C ATOM 97 NZ LYS A 293 -1.727 15.067 24.395 1.00 11.97 N ATOM 98 HZ1 LYS A 293 -2.580 14.479 24.308 1.00 0.00 H ATOM 99 HZ2 LYS A 293 -0.966 14.513 24.837 1.00 0.00 H ATOM 100 HZ3 LYS A 293 -1.937 15.900 24.982 1.00 0.00 H ATOM 101 H LYS A 293 -4.544 12.094 19.982 1.00 0.00 H ATOM 102 N GLU A 294 -3.419 10.626 23.550 1.00 9.67 N ATOM 103 CA GLU A 294 -4.086 10.658 24.837 1.00 11.99 C ATOM 104 C GLU A 294 -3.648 11.915 25.564 1.00 8.33 C ATOM 105 O GLU A 294 -2.787 12.652 25.083 1.00 6.76 O ATOM 106 CB GLU A 294 -3.729 9.419 25.659 1.00 15.06 C ATOM 107 CG GLU A 294 -4.926 8.732 26.298 1.00 22.56 C ATOM 108 CD GLU A 294 -6.247 9.259 25.774 1.00 21.49 C ATOM 109 OE1 GLU A 294 -6.661 8.840 24.672 1.00 13.24 O ATOM 110 OE2 GLU A 294 -6.873 10.092 26.464 1.00 10.91 O ATOM 111 H GLU A 294 -2.547 10.069 23.446 1.00 0.00 H ATOM 112 N ASP A 295 -4.243 12.162 26.722 1.00 9.49 N ATOM 113 CA ASP A 295 -3.916 13.340 27.487 1.00 10.96 C ATOM 114 C ASP A 295 -2.634 13.218 28.319 1.00 9.42 C ATOM 115 O ASP A 295 -2.072 14.228 28.736 1.00 13.39 O ATOM 116 CB ASP A 295 -5.104 13.734 28.368 1.00 16.83 C ATOM 117 CG ASP A 295 -6.303 14.205 27.555 1.00 24.12 C ATOM 118 OD1 ASP A 295 -6.115 14.691 26.416 1.00 15.67 O ATOM 119 OD2 ASP A 295 -7.439 14.092 28.058 1.00 24.23 O ATOM 120 H ASP A 295 -4.956 11.497 27.084 1.00 0.00 H ATOM 121 N HIS A 296 -2.149 11.994 28.513 1.00 7.35 N ATOM 122 CA HIS A 296 -0.953 11.759 29.329 1.00 6.70 C ATOM 123 C HIS A 296 0.338 11.843 28.517 1.00 4.46 C ATOM 124 O HIS A 296 1.420 11.691 29.079 1.00 6.36 O ATOM 125 CB HIS A 296 -1.022 10.384 30.001 1.00 5.80 C ATOM 126 CG HIS A 296 -0.836 9.248 29.044 1.00 5.42 C ATOM 127 ND1 HIS A 296 -1.736 8.983 28.035 1.00 7.58 N ATOM 128 CD2 HIS A 296 0.164 8.344 28.909 1.00 7.93 C ATOM 129 CE1 HIS A 296 -1.313 7.942 27.338 1.00 8.95 C ATOM 130 NE2 HIS A 296 -0.160 7.539 27.844 1.00 8.51 N ATOM 131 H HIS A 296 -2.630 11.183 28.075 1.00 0.00 H ATOM 132 N GLU A 297 0.205 12.053 27.210 1.00 6.27 N ATOM 133 CA GLU A 297 1.339 12.024 26.282 1.00 7.25 C ATOM 134 C GLU A 297 1.594 13.374 25.651 1.00 5.37 C ATOM 135 O GLU A 297 0.691 14.207 25.552 1.00 6.28 O ATOM 136 CB GLU A 297 1.042 11.087 25.108 1.00 14.23 C ATOM 137 CG GLU A 297 0.439 9.770 25.452 1.00 14.12 C ATOM 138 CD GLU A 297 0.149 8.964 24.206 1.00 8.97 C ATOM 139 OE1 GLU A 297 1.019 8.162 23.867 1.00 12.81 O ATOM 140 OE2 GLU A 297 -0.925 9.163 23.597 1.00 10.73 O ATOM 141 H GLU A 297 -0.744 12.246 26.831 1.00 0.00 H ATOM 142 N GLY A 298 2.824 13.571 25.193 1.00 6.17 N ATOM 143 CA GLY A 298 3.096 14.639 24.256 1.00 7.12 C ATOM 144 C GLY A 298 2.839 14.195 22.821 1.00 5.04 C ATOM 145 O GLY A 298 2.319 13.093 22.569 1.00 6.95 O ATOM 146 H GLY A 298 3.598 12.953 25.510 1.00 0.00 H ATOM 147 N LEU A 299 3.219 15.039 21.873 1.00 5.11 N ATOM 148 CA LEU A 299 3.073 14.715 20.464 1.00 4.78 C ATOM 149 C LEU A 299 4.093 13.688 20.031 1.00 5.91 C ATOM 150 O LEU A 299 3.829 12.930 19.112 1.00 7.26 O ATOM 151 CB LEU A 299 3.222 15.972 19.606 1.00 4.60 C ATOM 152 CG LEU A 299 2.061 16.953 19.755 1.00 5.29 C ATOM 153 CD1 LEU A 299 2.415 18.321 19.194 1.00 7.66 C ATOM 154 CD2 LEU A 299 0.805 16.394 19.109 1.00 7.02 C ATOM 155 H LEU A 299 3.631 15.955 22.144 1.00 0.00 H ATOM 156 N GLY A 300 5.260 13.686 20.658 1.00 4.45 N ATOM 157 CA GLY A 300 6.323 12.784 20.245 1.00 6.01 C ATOM 158 C GLY A 300 7.122 13.324 19.071 1.00 5.18 C ATOM 159 O GLY A 300 7.556 12.570 18.204 1.00 6.86 O ATOM 160 H GLY A 300 5.417 14.336 21.454 1.00 0.00 H ATOM 161 N ILE A 301 7.305 14.635 19.005 1.00 5.50 N ATOM 162 CA ILE A 301 8.178 15.185 17.980 1.00 6.26 C ATOM 163 C ILE A 301 9.070 16.246 18.566 1.00 5.18 C ATOM 164 O ILE A 301 8.738 16.885 19.571 1.00 6.66 O ATOM 165 CB ILE A 301 7.414 15.819 16.806 1.00 6.98 C ATOM 166 CG1 ILE A 301 6.650 17.057 17.273 1.00 3.87 C ATOM 167 CG2 ILE A 301 6.497 14.811 16.137 1.00 3.91 C ATOM 168 CD1 ILE A 301 5.886 17.738 16.169 1.00 4.97 C ATOM 169 H ILE A 301 6.828 15.265 19.681 1.00 0.00 H ATOM 170 N SER A 302 10.211 16.428 17.925 1.00 5.35 N ATOM 171 CA SER A 302 11.063 17.558 18.224 1.00 4.20 C ATOM 172 C SER A 302 10.898 18.517 17.070 1.00 6.35 C ATOM 173 O SER A 302 10.911 18.107 15.905 1.00 6.12 O ATOM 174 CB SER A 302 12.520 17.157 18.363 1.00 7.47 C ATOM 175 OG SER A 302 12.683 16.335 19.500 1.00 8.19 O ATOM 176 HG SER A 302 13.635 16.077 19.585 1.00 0.00 H ATOM 177 H SER A 302 10.501 15.748 17.194 1.00 0.00 H ATOM 178 N ILE A 303 10.721 19.789 17.393 1.00 4.75 N ATOM 179 CA ILE A 303 10.666 20.825 16.372 1.00 5.10 C ATOM 180 C ILE A 303 11.825 21.801 16.486 1.00 4.50 C ATOM 181 O ILE A 303 12.356 22.062 17.581 1.00 5.85 O ATOM 182 CB ILE A 303 9.342 21.620 16.382 1.00 3.81 C ATOM 183 CG1 ILE A 303 9.068 22.254 17.746 1.00 6.33 C ATOM 184 CG2 ILE A 303 8.176 20.736 15.964 1.00 6.64 C ATOM 185 CD1 ILE A 303 8.017 23.379 17.696 1.00 5.95 C ATOM 186 H ILE A 303 10.619 20.052 18.394 1.00 0.00 H ATOM 187 N THR A 304 12.218 22.334 15.340 1.00 6.01 N ATOM 188 CA THR A 304 13.225 23.378 15.268 1.00 5.35 C ATOM 189 C THR A 304 12.736 24.460 14.306 1.00 8.28 C ATOM 190 O THR A 304 11.662 24.347 13.722 1.00 9.99 O ATOM 191 CB THR A 304 14.589 22.777 14.863 1.00 7.90 C ATOM 192 OG1 THR A 304 15.625 23.750 15.064 1.00 10.32 O ATOM 193 CG2 THR A 304 14.581 22.295 13.422 1.00 10.13 C ATOM 194 HG1 THR A 304 15.651 24.010 16.019 1.00 0.00 H ATOM 195 H THR A 304 11.789 21.992 14.457 1.00 0.00 H ATOM 196 N GLY A 305 13.495 25.534 14.169 1.00 7.29 N ATOM 197 CA GLY A 305 13.115 26.598 13.261 1.00 7.64 C ATOM 198 C GLY A 305 12.157 27.594 13.880 1.00 5.52 C ATOM 199 O GLY A 305 12.045 27.702 15.105 1.00 7.87 O ATOM 200 H GLY A 305 14.374 25.616 14.719 1.00 0.00 H ATOM 201 N GLY A 306 11.478 28.346 13.029 1.00 6.64 N ATOM 202 CA GLY A 306 10.579 29.393 13.481 1.00 6.33 C ATOM 203 C GLY A 306 10.869 30.709 12.786 1.00 7.04 C ATOM 204 O GLY A 306 11.985 30.954 12.303 1.00 7.70 O ATOM 205 H GLY A 306 11.591 28.183 12.008 1.00 0.00 H ATOM 206 N LYS A 307 9.863 31.570 12.745 1.00 7.27 N ATOM 207 CA LYS A 307 9.952 32.805 11.975 1.00 8.57 C ATOM 208 C LYS A 307 11.141 33.690 12.321 1.00 11.51 C ATOM 209 O LYS A 307 11.719 34.334 11.440 1.00 12.22 O ATOM 210 CB LYS A 307 8.651 33.599 12.091 1.00 13.11 C ATOM 211 CG LYS A 307 8.676 34.885 11.272 1.00 15.08 C ATOM 212 CD LYS A 307 7.346 35.608 11.309 1.00 32.13 C ATOM 213 CE LYS A 307 7.419 36.941 10.567 1.00 38.76 C ATOM 214 NZ LYS A 307 8.327 37.917 11.237 1.00 37.95 N ATOM 215 HZ1 LYS A 307 7.983 38.104 12.200 1.00 0.00 H ATOM 216 HZ2 LYS A 307 9.288 37.521 11.281 1.00 0.00 H ATOM 217 HZ3 LYS A 307 8.341 38.804 10.694 1.00 0.00 H ATOM 218 H LYS A 307 8.992 31.361 13.273 1.00 0.00 H ATOM 219 N GLU A 308 11.529 33.721 13.588 1.00 9.51 N ATOM 220 CA GLU A 308 12.637 34.584 13.983 1.00 9.22 C ATOM 221 C GLU A 308 13.960 34.122 13.364 1.00 12.61 C ATOM 222 O GLU A 308 14.938 34.867 13.348 1.00 16.14 O ATOM 223 CB GLU A 308 12.747 34.671 15.511 1.00 12.68 C ATOM 224 CG GLU A 308 13.257 33.412 16.190 1.00 11.53 C ATOM 225 CD GLU A 308 12.149 32.457 16.631 1.00 12.96 C ATOM 226 OE1 GLU A 308 11.222 32.197 15.846 1.00 9.75 O ATOM 227 OE2 GLU A 308 12.229 31.945 17.766 1.00 16.60 O ATOM 228 H GLU A 308 11.046 33.133 14.297 1.00 0.00 H ATOM 229 N HIS A 309 13.980 32.894 12.856 1.00 11.06 N ATOM 230 CA HIS A 309 15.143 32.328 12.183 1.00 10.09 C ATOM 231 C HIS A 309 14.971 32.267 10.676 1.00 9.40 C ATOM 232 O HIS A 309 15.851 31.790 9.964 1.00 13.15 O ATOM 233 CB HIS A 309 15.418 30.937 12.743 1.00 10.98 C ATOM 234 CG HIS A 309 15.525 30.927 14.229 1.00 11.59 C ATOM 235 ND1 HIS A 309 16.497 31.635 14.901 1.00 13.56 N ATOM 236 CD2 HIS A 309 14.749 30.355 15.178 1.00 12.08 C ATOM 237 CE1 HIS A 309 16.331 31.479 16.202 1.00 12.34 C ATOM 238 NE2 HIS A 309 15.278 30.705 16.397 1.00 13.18 N ATOM 239 H HIS A 309 13.125 32.309 12.943 1.00 0.00 H ATOM 240 N GLY A 310 13.830 32.746 10.200 1.00 9.76 N ATOM 241 CA GLY A 310 13.562 32.794 8.774 1.00 9.97 C ATOM 242 C GLY A 310 13.281 31.439 8.155 1.00 10.77 C ATOM 243 O GLY A 310 13.443 31.263 6.945 1.00 15.04 O ATOM 244 H GLY A 310 13.110 33.096 10.864 1.00 0.00 H ATOM 245 N VAL A 311 12.865 30.477 8.974 1.00 10.58 N ATOM 246 CA VAL A 311 12.512 29.165 8.454 1.00 14.08 C ATOM 247 C VAL A 311 11.246 28.644 9.110 1.00 10.22 C ATOM 248 O VAL A 311 10.863 29.108 10.180 1.00 10.11 O ATOM 249 CB VAL A 311 13.648 28.158 8.651 1.00 16.28 C ATOM 250 CG1 VAL A 311 14.869 28.574 7.836 1.00 20.71 C ATOM 251 CG2 VAL A 311 13.999 28.048 10.113 1.00 11.97 C ATOM 252 H VAL A 311 12.792 30.664 9.994 1.00 0.00 H ATOM 253 N PRO A 312 10.592 27.670 8.471 1.00 8.71 N ATOM 254 CA PRO A 312 9.350 27.117 9.021 1.00 8.10 C ATOM 255 C PRO A 312 9.589 26.397 10.338 1.00 6.66 C ATOM 256 O PRO A 312 10.728 26.179 10.758 1.00 7.11 O ATOM 257 CB PRO A 312 8.925 26.084 7.969 1.00 11.44 C ATOM 258 CG PRO A 312 9.728 26.382 6.751 1.00 14.09 C ATOM 259 CD PRO A 312 10.987 27.035 7.201 1.00 11.69 C ATOM 260 N ILE A 313 8.499 26.021 10.994 1.00 8.08 N ATOM 261 CA ILE A 313 8.565 25.056 12.083 1.00 5.82 C ATOM 262 C ILE A 313 8.827 23.697 11.449 1.00 6.70 C ATOM 263 O ILE A 313 8.008 23.206 10.669 1.00 8.44 O ATOM 264 CB ILE A 313 7.250 25.034 12.863 1.00 6.09 C ATOM 265 CG1 ILE A 313 6.972 26.426 13.453 1.00 6.38 C ATOM 266 CG2 ILE A 313 7.266 23.934 13.927 1.00 7.54 C ATOM 267 CD1 ILE A 313 8.081 26.944 14.396 1.00 7.28 C ATOM 268 H ILE A 313 7.578 26.424 10.725 1.00 0.00 H ATOM 269 N LEU A 314 9.988 23.119 11.735 1.00 5.70 N ATOM 270 CA LEU A 314 10.428 21.883 11.094 1.00 6.13 C ATOM 271 C LEU A 314 10.507 20.745 12.094 1.00 6.16 C ATOM 272 O LEU A 314 10.981 20.926 13.227 1.00 5.96 O ATOM 273 CB LEU A 314 11.808 22.082 10.472 1.00 7.04 C ATOM 274 CG LEU A 314 11.850 23.057 9.306 1.00 9.86 C ATOM 275 CD1 LEU A 314 13.281 23.537 9.084 1.00 14.78 C ATOM 276 CD2 LEU A 314 11.296 22.394 8.055 1.00 10.11 C ATOM 277 H LEU A 314 10.607 23.564 12.442 1.00 0.00 H ATOM 278 N ILE A 315 10.044 19.573 11.685 1.00 7.05 N ATOM 279 CA ILE A 315 10.217 18.387 12.510 1.00 6.75 C ATOM 280 C ILE A 315 11.654 17.904 12.392 1.00 6.39 C ATOM 281 O ILE A 315 12.126 17.587 11.296 1.00 8.89 O ATOM 282 CB ILE A 315 9.242 17.275 12.088 1.00 5.62 C ATOM 283 CG1 ILE A 315 7.795 17.765 12.246 1.00 6.56 C ATOM 284 CG2 ILE A 315 9.492 16.011 12.889 1.00 7.00 C ATOM 285 CD1 ILE A 315 6.735 16.739 11.875 1.00 7.30 C ATOM 286 H ILE A 315 9.555 19.500 10.770 1.00 0.00 H ATOM 287 N SER A 316 12.352 17.846 13.513 1.00 7.41 N ATOM 288 CA SER A 316 13.716 17.338 13.491 1.00 7.91 C ATOM 289 C SER A 316 13.832 15.943 14.080 1.00 7.20 C ATOM 290 O SER A 316 14.840 15.273 13.868 1.00 8.24 O ATOM 291 CB SER A 316 14.661 18.292 14.212 1.00 10.11 C ATOM 292 OG SER A 316 14.282 18.430 15.566 1.00 9.94 O ATOM 293 HG SER A 316 14.904 19.052 16.020 1.00 0.00 H ATOM 294 H SER A 316 11.928 18.162 14.408 1.00 0.00 H ATOM 295 N GLU A 317 12.816 15.507 14.826 1.00 5.83 N ATOM 296 CA GLU A 317 12.784 14.140 15.352 1.00 6.06 C ATOM 297 C GLU A 317 11.355 13.649 15.436 1.00 6.36 C ATOM 298 O GLU A 317 10.449 14.421 15.751 1.00 5.36 O ATOM 299 CB GLU A 317 13.380 14.045 16.764 1.00 7.80 C ATOM 300 CG GLU A 317 14.781 14.592 16.901 1.00 10.44 C ATOM 301 CD GLU A 317 15.371 14.345 18.271 1.00 22.43 C ATOM 302 OE1 GLU A 317 14.819 14.863 19.264 1.00 21.78 O ATOM 303 OE2 GLU A 317 16.387 13.623 18.358 1.00 24.80 O ATOM 304 H GLU A 317 12.029 16.152 15.039 1.00 0.00 H ATOM 305 N ILE A 318 11.175 12.358 15.165 1.00 7.46 N ATOM 306 CA ILE A 318 9.934 11.636 15.440 1.00 6.12 C ATOM 307 C ILE A 318 10.308 10.590 16.487 1.00 8.62 C ATOM 308 O ILE A 318 11.086 9.677 16.213 1.00 10.39 O ATOM 309 CB ILE A 318 9.381 10.959 14.179 1.00 8.08 C ATOM 310 CG1 ILE A 318 9.007 12.008 13.118 1.00 9.17 C ATOM 311 CG2 ILE A 318 8.188 10.067 14.527 1.00 9.08 C ATOM 312 CD1 ILE A 318 7.765 12.830 13.440 1.00 10.51 C ATOM 313 H ILE A 318 11.962 11.833 14.733 1.00 0.00 H ATOM 314 N HIS A 319 9.790 10.731 17.694 1.00 7.30 N ATOM 315 CA HIS A 319 10.212 9.852 18.773 1.00 7.32 C ATOM 316 C HIS A 319 9.532 8.497 18.698 1.00 6.96 C ATOM 317 O HIS A 319 8.323 8.409 18.580 1.00 6.96 O ATOM 318 CB HIS A 319 9.990 10.558 20.102 1.00 11.41 C ATOM 319 CG HIS A 319 10.671 11.892 20.165 1.00 18.50 C ATOM 320 ND1 HIS A 319 12.043 12.026 20.136 1.00 29.69 N ATOM 321 CD2 HIS A 319 10.171 13.148 20.204 1.00 22.58 C ATOM 322 CE1 HIS A 319 12.358 13.308 20.181 1.00 25.46 C ATOM 323 NE2 HIS A 319 11.240 14.010 20.223 1.00 16.72 N ATOM 324 H HIS A 319 9.081 11.470 17.873 1.00 0.00 H ATOM 325 N PRO A 320 10.326 7.422 18.727 1.00 6.89 N ATOM 326 CA PRO A 320 9.733 6.112 18.450 1.00 7.56 C ATOM 327 C PRO A 320 8.668 5.740 19.461 1.00 6.66 C ATOM 328 O PRO A 320 8.853 5.912 20.669 1.00 8.87 O ATOM 329 CB PRO A 320 10.932 5.152 18.543 1.00 10.34 C ATOM 330 CG PRO A 320 11.976 5.903 19.326 1.00 9.97 C ATOM 331 CD PRO A 320 11.774 7.347 18.971 1.00 10.89 C ATOM 332 N GLY A 321 7.550 5.245 18.941 1.00 5.77 N ATOM 333 CA GLY A 321 6.483 4.715 19.763 1.00 6.60 C ATOM 334 C GLY A 321 5.535 5.758 20.335 1.00 6.81 C ATOM 335 O GLY A 321 4.535 5.397 20.945 1.00 9.76 O ATOM 336 H GLY A 321 7.438 5.238 17.907 1.00 0.00 H ATOM 337 N GLN A 322 5.826 7.039 20.127 1.00 5.06 N ATOM 338 CA GLN A 322 4.954 8.120 20.612 1.00 6.23 C ATOM 339 C GLN A 322 3.937 8.527 19.522 1.00 5.79 C ATOM 340 O GLN A 322 3.969 7.976 18.412 1.00 5.31 O ATOM 341 CB GLN A 322 5.806 9.279 21.146 1.00 4.97 C ATOM 342 CG GLN A 322 6.666 8.837 22.340 1.00 8.03 C ATOM 343 CD GLN A 322 5.830 8.216 23.447 1.00 11.56 C ATOM 344 OE1 GLN A 322 4.886 8.827 23.944 1.00 14.41 O ATOM 345 NE2 GLN A 322 6.169 6.986 23.829 1.00 16.52 N ATOM 346 HE22 GLN A 322 6.976 6.506 23.381 1.00 0.00 H ATOM 347 HE21 GLN A 322 5.627 6.505 24.575 1.00 0.00 H ATOM 348 H GLN A 322 6.693 7.283 19.608 1.00 0.00 H ATOM 349 N PRO A 323 3.001 9.443 19.827 1.00 4.21 N ATOM 350 CA PRO A 323 1.870 9.576 18.901 1.00 4.21 C ATOM 351 C PRO A 323 2.211 9.938 17.459 1.00 4.63 C ATOM 352 O PRO A 323 1.562 9.403 16.558 1.00 5.39 O ATOM 353 CB PRO A 323 1.017 10.660 19.560 1.00 3.63 C ATOM 354 CG PRO A 323 1.248 10.416 21.019 1.00 4.96 C ATOM 355 CD PRO A 323 2.715 10.084 21.127 1.00 4.74 C ATOM 356 N ALA A 324 3.200 10.786 17.210 1.00 4.23 N ATOM 357 CA ALA A 324 3.515 11.131 15.825 1.00 5.76 C ATOM 358 C ALA A 324 4.028 9.919 15.071 1.00 5.93 C ATOM 359 O ALA A 324 3.649 9.698 13.921 1.00 5.96 O ATOM 360 CB ALA A 324 4.512 12.284 15.760 1.00 6.16 C ATOM 361 H ALA A 324 3.746 11.201 17.992 1.00 0.00 H ATOM 362 N ASP A 325 4.874 9.122 15.712 1.00 5.65 N ATOM 363 CA ASP A 325 5.356 7.890 15.086 1.00 5.83 C ATOM 364 C ASP A 325 4.180 6.973 14.775 1.00 5.59 C ATOM 365 O ASP A 325 4.078 6.428 13.671 1.00 6.25 O ATOM 366 CB ASP A 325 6.338 7.191 16.030 1.00 5.08 C ATOM 367 CG ASP A 325 7.038 6.006 15.394 1.00 7.71 C ATOM 368 OD1 ASP A 325 7.259 6.013 14.175 1.00 8.56 O ATOM 369 OD2 ASP A 325 7.376 5.064 16.147 1.00 9.56 O ATOM 370 H ASP A 325 5.197 9.375 16.668 1.00 0.00 H ATOM 371 N ARG A 326 3.293 6.802 15.749 1.00 4.91 N ATOM 372 CA ARG A 326 2.185 5.873 15.600 1.00 5.70 C ATOM 373 C ARG A 326 1.202 6.298 14.522 1.00 7.74 C ATOM 374 O ARG A 326 0.606 5.432 13.868 1.00 6.77 O ATOM 375 CB ARG A 326 1.445 5.705 16.930 1.00 5.68 C ATOM 376 CG ARG A 326 2.334 5.282 18.078 1.00 6.37 C ATOM 377 CD ARG A 326 1.554 4.737 19.279 1.00 7.70 C ATOM 378 NE ARG A 326 0.560 5.650 19.848 1.00 9.35 N ATOM 379 CZ ARG A 326 0.722 6.337 20.978 1.00 7.30 C ATOM 380 NH1 ARG A 326 1.867 6.287 21.639 1.00 8.67 N ATOM 381 NH2 ARG A 326 -0.269 7.096 21.425 1.00 8.72 N ATOM 382 HE ARG A 326 -0.336 5.771 19.333 1.00 0.00 H ATOM 383 HH12 ARG A 326 1.983 6.827 22.520 1.00 0.00 H ATOM 384 HH11 ARG A 326 2.651 5.707 21.277 1.00 0.00 H ATOM 385 HH22 ARG A 326 -0.153 7.637 22.306 1.00 0.00 H ATOM 386 HH21 ARG A 326 -1.162 7.151 20.895 1.00 0.00 H ATOM 387 H ARG A 326 3.393 7.342 16.632 1.00 0.00 H ATOM 388 N CYS A 327 1.008 7.582 14.329 1.00 7.26 N ATOM 389 CA CYS A 327 0.100 8.036 13.309 1.00 7.35 C ATOM 390 C CYS A 327 0.538 7.747 11.904 1.00 8.96 C ATOM 391 O CYS A 327 -0.289 7.622 11.082 1.00 8.78 O ATOM 392 CB CYS A 327 -0.253 9.539 13.460 1.00 8.17 C ATOM 393 SG CYS A 327 0.866 10.792 12.591 1.00 8.91 S ATOM 394 H CYS A 327 1.514 8.275 14.917 1.00 0.00 H ATOM 395 N GLY A 328 1.837 7.656 11.688 1.00 7.66 N ATOM 396 CA GLY A 328 2.368 7.147 10.426 1.00 8.31 C ATOM 397 C GLY A 328 2.682 8.144 9.311 1.00 9.48 C ATOM 398 O GLY A 328 3.418 7.816 8.379 1.00 11.75 O ATOM 399 H GLY A 328 2.498 7.954 12.434 1.00 0.00 H ATOM 400 N GLY A 329 2.137 9.353 9.411 1.00 7.66 N ATOM 401 CA GLY A 329 2.198 10.321 8.327 1.00 6.96 C ATOM 402 C GLY A 329 3.066 11.542 8.543 1.00 7.60 C ATOM 403 O GLY A 329 3.030 12.456 7.723 1.00 7.56 O ATOM 404 H GLY A 329 1.652 9.615 10.293 1.00 0.00 H ATOM 405 N LEU A 330 3.821 11.573 9.637 1.00 6.37 N ATOM 406 CA LEU A 330 4.679 12.714 9.969 1.00 6.23 C ATOM 407 C LEU A 330 6.119 12.262 9.980 1.00 7.72 C ATOM 408 O LEU A 330 6.438 11.228 10.574 1.00 10.07 O ATOM 409 CB LEU A 330 4.336 13.298 11.349 1.00 6.36 C ATOM 410 CG LEU A 330 2.950 13.913 11.518 1.00 5.59 C ATOM 411 CD1 LEU A 330 2.744 14.364 12.954 1.00 9.24 C ATOM 412 CD2 LEU A 330 2.780 15.086 10.571 1.00 8.44 C ATOM 413 H LEU A 330 3.802 10.757 10.281 1.00 0.00 H ATOM 414 N HIS A 331 6.998 13.050 9.372 1.00 6.33 N ATOM 415 CA HIS A 331 8.373 12.613 9.189 1.00 6.82 C ATOM 416 C HIS A 331 9.380 13.734 9.398 1.00 6.82 C ATOM 417 O HIS A 331 9.076 14.919 9.211 1.00 6.67 O ATOM 418 CB HIS A 331 8.526 12.010 7.798 1.00 10.00 C ATOM 419 CG HIS A 331 7.456 11.024 7.466 1.00 10.29 C ATOM 420 ND1 HIS A 331 7.396 9.774 8.047 1.00 13.45 N ATOM 421 CD2 HIS A 331 6.382 11.113 6.648 1.00 11.60 C ATOM 422 CE1 HIS A 331 6.340 9.129 7.584 1.00 13.31 C ATOM 423 NE2 HIS A 331 5.710 9.917 6.731 1.00 13.57 N ATOM 424 H HIS A 331 6.702 13.984 9.025 1.00 0.00 H ATOM 425 N VAL A 332 10.587 13.336 9.779 1.00 6.94 N ATOM 426 CA VAL A 332 11.687 14.270 9.925 1.00 6.53 C ATOM 427 C VAL A 332 11.861 15.043 8.625 1.00 8.48 C ATOM 428 O VAL A 332 11.878 14.462 7.529 1.00 8.03 O ATOM 429 CB VAL A 332 12.996 13.542 10.320 1.00 6.53 C ATOM 430 CG1 VAL A 332 14.186 14.483 10.214 1.00 10.18 C ATOM 431 CG2 VAL A 332 12.876 13.002 11.732 1.00 9.55 C ATOM 432 H VAL A 332 10.749 12.328 9.978 1.00 0.00 H ATOM 433 N GLY A 333 11.959 16.359 8.746 1.00 6.06 N ATOM 434 CA GLY A 333 12.101 17.225 7.592 1.00 7.69 C ATOM 435 C GLY A 333 10.799 17.866 7.160 1.00 7.84 C ATOM 436 O GLY A 333 10.805 18.809 6.371 1.00 9.70 O ATOM 437 H GLY A 333 11.933 16.782 9.696 1.00 0.00 H ATOM 438 N ASP A 334 9.674 17.356 7.656 1.00 6.81 N ATOM 439 CA ASP A 334 8.395 18.006 7.394 1.00 6.92 C ATOM 440 C ASP A 334 8.339 19.393 8.022 1.00 7.41 C ATOM 441 O ASP A 334 8.780 19.588 9.159 1.00 6.96 O ATOM 442 CB ASP A 334 7.236 17.186 7.958 1.00 6.65 C ATOM 443 CG ASP A 334 6.873 16.007 7.094 1.00 8.99 C ATOM 444 OD1 ASP A 334 7.269 15.980 5.899 1.00 8.50 O ATOM 445 OD2 ASP A 334 6.171 15.112 7.621 1.00 7.19 O ATOM 446 H ASP A 334 9.707 16.491 8.232 1.00 0.00 H ATOM 447 N ALA A 335 7.812 20.351 7.274 1.00 6.51 N ATOM 448 CA ALA A 335 7.457 21.651 7.818 1.00 5.85 C ATOM 449 C ALA A 335 6.014 21.550 8.273 1.00 7.97 C ATOM 450 O ALA A 335 5.160 21.000 7.559 1.00 7.22 O ATOM 451 CB ALA A 335 7.619 22.733 6.766 1.00 6.78 C ATOM 452 H ALA A 335 7.647 20.167 6.264 1.00 0.00 H ATOM 453 N ILE A 336 5.743 22.026 9.486 1.00 6.57 N ATOM 454 CA ILE A 336 4.375 22.066 9.977 1.00 6.32 C ATOM 455 C ILE A 336 3.765 23.404 9.591 1.00 7.25 C ATOM 456 O ILE A 336 4.142 24.456 10.122 1.00 8.27 O ATOM 457 CB ILE A 336 4.273 21.850 11.505 1.00 6.16 C ATOM 458 CG1 ILE A 336 5.030 20.594 11.926 1.00 5.18 C ATOM 459 CG2 ILE A 336 2.803 21.778 11.908 1.00 7.84 C ATOM 460 CD1 ILE A 336 5.101 20.403 13.439 1.00 7.51 C ATOM 461 H ILE A 336 6.517 22.373 10.088 1.00 0.00 H ATOM 462 N LEU A 337 2.842 23.352 8.643 1.00 6.66 N ATOM 463 CA LEU A 337 2.225 24.554 8.103 1.00 6.96 C ATOM 464 C LEU A 337 1.051 25.010 8.958 1.00 6.59 C ATOM 465 O LEU A 337 0.788 26.200 9.065 1.00 8.04 O ATOM 466 CB LEU A 337 1.776 24.321 6.652 1.00 7.57 C ATOM 467 CG LEU A 337 2.840 23.769 5.701 1.00 8.28 C ATOM 468 CD1 LEU A 337 2.220 23.430 4.349 1.00 14.34 C ATOM 469 CD2 LEU A 337 3.972 24.759 5.548 1.00 11.05 C ATOM 470 H LEU A 337 2.550 22.425 8.274 1.00 0.00 H ATOM 471 N ALA A 338 0.342 24.068 9.572 1.00 6.63 N ATOM 472 CA ALA A 338 -0.826 24.409 10.374 1.00 7.46 C ATOM 473 C ALA A 338 -1.192 23.236 11.262 1.00 7.74 C ATOM 474 O ALA A 338 -0.846 22.094 10.961 1.00 6.46 O ATOM 475 CB ALA A 338 -2.006 24.770 9.465 1.00 7.78 C ATOM 476 H ALA A 338 0.625 23.072 9.479 1.00 0.00 H ATOM 477 N VAL A 339 -1.874 23.518 12.364 1.00 6.45 N ATOM 478 CA VAL A 339 -2.386 22.462 13.221 1.00 6.20 C ATOM 479 C VAL A 339 -3.793 22.847 13.643 1.00 6.97 C ATOM 480 O VAL A 339 -4.026 23.971 14.107 1.00 8.10 O ATOM 481 CB VAL A 339 -1.466 22.195 14.434 1.00 4.61 C ATOM 482 CG1 VAL A 339 -1.353 23.431 15.337 1.00 7.73 C ATOM 483 CG2 VAL A 339 -1.938 20.958 15.219 1.00 6.93 C ATOM 484 H VAL A 339 -2.045 24.512 12.619 1.00 0.00 H ATOM 485 N ASN A 340 -4.739 21.935 13.434 1.00 8.32 N ATOM 486 CA ASN A 340 -6.139 22.210 13.732 1.00 10.07 C ATOM 487 C ASN A 340 -6.605 23.561 13.195 1.00 10.38 C ATOM 488 O ASN A 340 -7.330 24.295 13.871 1.00 12.67 O ATOM 489 CB ASN A 340 -6.396 22.091 15.241 1.00 10.07 C ATOM 490 CG ASN A 340 -6.460 20.646 15.702 1.00 9.02 C ATOM 491 OD1 ASN A 340 -6.742 19.751 14.911 1.00 9.12 O ATOM 492 ND2 ASN A 340 -6.213 20.414 16.984 1.00 8.55 N ATOM 493 HD22 ASN A 340 -5.978 21.203 17.619 1.00 0.00 H ATOM 494 HD21 ASN A 340 -6.255 19.443 17.354 1.00 0.00 H ATOM 495 H ASN A 340 -4.474 21.006 13.050 1.00 0.00 H ATOM 496 N GLY A 341 -6.174 23.885 11.981 1.00 10.28 N ATOM 497 CA GLY A 341 -6.588 25.116 11.327 1.00 14.86 C ATOM 498 C GLY A 341 -5.842 26.371 11.753 1.00 15.98 C ATOM 499 O GLY A 341 -6.113 27.453 11.226 1.00 18.53 O ATOM 500 H GLY A 341 -5.524 23.242 11.486 1.00 0.00 H ATOM 501 N VAL A 342 -4.917 26.241 12.702 1.00 10.77 N ATOM 502 CA VAL A 342 -4.105 27.368 13.140 1.00 9.45 C ATOM 503 C VAL A 342 -2.844 27.420 12.293 1.00 13.56 C ATOM 504 O VAL A 342 -2.055 26.483 12.289 1.00 9.49 O ATOM 505 CB VAL A 342 -3.708 27.241 14.629 1.00 11.31 C ATOM 506 CG1 VAL A 342 -2.930 28.461 15.081 1.00 10.50 C ATOM 507 CG2 VAL A 342 -4.941 27.044 15.504 1.00 12.26 C ATOM 508 H VAL A 342 -4.770 25.310 13.142 1.00 0.00 H ATOM 509 N ASN A 343 -2.656 28.519 11.577 1.00 9.86 N ATOM 510 CA ASN A 343 -1.516 28.690 10.699 1.00 7.79 C ATOM 511 C ASN A 343 -0.243 28.793 11.517 1.00 9.80 C ATOM 512 O ASN A 343 -0.169 29.566 12.478 1.00 12.68 O ATOM 513 CB ASN A 343 -1.706 29.960 9.856 1.00 9.64 C ATOM 514 CG ASN A 343 -0.621 30.154 8.829 1.00 12.57 C ATOM 515 OD1 ASN A 343 0.122 29.235 8.503 1.00 15.64 O ATOM 516 ND2 ASN A 343 -0.526 31.369 8.301 1.00 18.79 N ATOM 517 HD22 ASN A 343 -1.177 32.121 8.606 1.00 0.00 H ATOM 518 HD21 ASN A 343 0.199 31.569 7.583 1.00 0.00 H ATOM 519 H ASN A 343 -3.353 29.288 11.648 1.00 0.00 H ATOM 520 N LEU A 344 0.755 28.000 11.155 1.00 8.76 N ATOM 521 CA LEU A 344 2.041 28.069 11.824 1.00 9.67 C ATOM 522 C LEU A 344 3.161 28.556 10.911 1.00 10.25 C ATOM 523 O LEU A 344 4.323 28.552 11.293 1.00 11.09 O ATOM 524 CB LEU A 344 2.406 26.700 12.388 1.00 9.00 C ATOM 525 CG LEU A 344 1.509 26.137 13.490 1.00 7.60 C ATOM 526 CD1 LEU A 344 1.949 24.729 13.883 1.00 10.74 C ATOM 527 CD2 LEU A 344 1.530 27.036 14.719 1.00 12.85 C ATOM 528 H LEU A 344 0.615 27.319 10.381 1.00 0.00 H ATOM 529 N ARG A 345 2.794 28.976 9.705 1.00 9.37 N ATOM 530 CA ARG A 345 3.766 29.389 8.699 1.00 11.67 C ATOM 531 C ARG A 345 4.617 30.586 9.123 1.00 12.82 C ATOM 532 O ARG A 345 5.776 30.697 8.725 1.00 17.48 O ATOM 533 CB ARG A 345 3.062 29.695 7.374 1.00 12.12 C ATOM 534 CG ARG A 345 2.431 28.481 6.712 1.00 13.45 C ATOM 535 CD ARG A 345 1.595 28.883 5.507 1.00 10.96 C ATOM 536 NE ARG A 345 1.063 27.722 4.800 1.00 11.41 N ATOM 537 CZ ARG A 345 -0.052 27.085 5.143 1.00 13.90 C ATOM 538 NH1 ARG A 345 -0.462 26.037 4.441 1.00 13.75 N ATOM 539 NH2 ARG A 345 -0.758 27.495 6.188 1.00 12.79 N ATOM 540 HE ARG A 345 1.590 27.371 3.975 1.00 0.00 H ATOM 541 HH12 ARG A 345 -1.335 25.540 4.711 1.00 0.00 H ATOM 542 HH11 ARG A 345 0.089 25.713 3.621 1.00 0.00 H ATOM 543 HH22 ARG A 345 -1.630 26.995 6.455 1.00 0.00 H ATOM 544 HH21 ARG A 345 -0.440 28.316 6.741 1.00 0.00 H ATOM 545 H ARG A 345 1.781 29.011 9.471 1.00 0.00 H ATOM 546 N ASP A 346 4.043 31.482 9.920 1.00 10.96 N ATOM 547 CA ASP A 346 4.761 32.721 10.314 1.00 11.27 C ATOM 548 C ASP A 346 4.955 32.805 11.821 1.00 12.07 C ATOM 549 O ASP A 346 5.096 33.835 12.343 1.00 14.74 O ATOM 550 CB ASP A 346 3.991 33.934 9.782 1.00 19.76 C ATOM 551 CG ASP A 346 4.867 35.246 9.583 1.00 33.48 C ATOM 552 OD1 ASP A 346 6.113 35.226 9.463 1.00 37.29 O ATOM 553 OD2 ASP A 346 4.219 36.329 9.531 1.00 37.63 O ATOM 554 H ASP A 346 3.079 31.313 10.272 1.00 0.00 H ATOM 555 N THR A 347 4.967 31.665 12.490 1.00 9.71 N ATOM 556 CA THR A 347 5.055 31.645 13.939 1.00 9.57 C ATOM 557 C THR A 347 6.495 31.530 14.413 1.00 7.84 C ATOM 558 O THR A 347 7.311 30.791 13.828 1.00 8.07 O ATOM 559 CB THR A 347 4.189 30.511 14.532 1.00 14.42 C ATOM 560 OG1 THR A 347 4.739 29.231 14.184 1.00 15.64 O ATOM 561 CG2 THR A 347 2.783 30.609 13.953 1.00 18.82 C ATOM 562 HG1 THR A 347 4.762 29.140 13.198 1.00 0.00 H ATOM 563 H THR A 347 4.912 30.766 11.969 1.00 0.00 H ATOM 564 N LYS A 348 6.811 32.275 15.465 1.00 7.60 N ATOM 565 CA LYS A 348 8.089 32.131 16.139 1.00 8.25 C ATOM 566 C LYS A 348 8.130 30.784 16.862 1.00 7.59 C ATOM 567 O LYS A 348 7.092 30.170 17.146 1.00 6.68 O ATOM 568 CB LYS A 348 8.306 33.272 17.134 1.00 8.59 C ATOM 569 CG LYS A 348 8.458 34.650 16.503 1.00 12.20 C ATOM 570 CD LYS A 348 8.730 35.686 17.591 1.00 16.56 C ATOM 571 CE LYS A 348 8.224 37.064 17.235 1.00 27.29 C ATOM 572 NZ LYS A 348 8.529 38.034 18.327 1.00 38.47 N ATOM 573 HZ1 LYS A 348 8.068 37.722 19.205 1.00 0.00 H ATOM 574 HZ2 LYS A 348 9.558 38.079 18.471 1.00 0.00 H ATOM 575 HZ3 LYS A 348 8.173 38.975 18.063 1.00 0.00 H ATOM 576 H LYS A 348 6.128 32.977 15.814 1.00 0.00 H ATOM 577 N HIS A 349 9.337 30.322 17.160 1.00 6.79 N ATOM 578 CA HIS A 349 9.531 29.004 17.741 1.00 5.42 C ATOM 579 C HIS A 349 8.647 28.742 18.966 1.00 6.84 C ATOM 580 O HIS A 349 7.935 27.731 19.042 1.00 5.57 O ATOM 581 CB HIS A 349 11.000 28.788 18.104 1.00 6.94 C ATOM 582 CG HIS A 349 11.282 27.408 18.591 1.00 5.63 C ATOM 583 ND1 HIS A 349 11.586 26.369 17.735 1.00 6.30 N ATOM 584 CD2 HIS A 349 11.278 26.878 19.838 1.00 5.69 C ATOM 585 CE1 HIS A 349 11.770 25.263 18.432 1.00 5.68 C ATOM 586 NE2 HIS A 349 11.587 25.540 19.711 1.00 6.76 N ATOM 587 H HIS A 349 10.168 30.919 16.973 1.00 0.00 H ATOM 588 N LYS A 350 8.717 29.641 19.940 1.00 6.86 N ATOM 589 CA LYS A 350 7.978 29.451 21.185 1.00 5.58 C ATOM 590 C LYS A 350 6.472 29.636 21.025 1.00 6.38 C ATOM 591 O LYS A 350 5.692 29.005 21.732 1.00 5.77 O ATOM 592 CB LYS A 350 8.547 30.337 22.301 1.00 6.18 C ATOM 593 CG LYS A 350 9.967 29.942 22.715 1.00 7.80 C ATOM 594 CD LYS A 350 10.500 30.776 23.891 1.00 9.05 C ATOM 595 CE LYS A 350 9.955 30.282 25.213 1.00 12.20 C ATOM 596 NZ LYS A 350 10.213 31.261 26.309 1.00 13.84 N ATOM 597 HZ1 LYS A 350 11.238 31.407 26.408 1.00 0.00 H ATOM 598 HZ2 LYS A 350 9.754 32.165 26.080 1.00 0.00 H ATOM 599 HZ3 LYS A 350 9.827 30.891 27.201 1.00 0.00 H ATOM 600 H LYS A 350 9.305 30.490 19.815 1.00 0.00 H ATOM 601 N GLU A 351 6.055 30.477 20.085 1.00 6.04 N ATOM 602 CA GLU A 351 4.640 30.586 19.749 1.00 5.86 C ATOM 603 C GLU A 351 4.137 29.225 19.279 1.00 6.20 C ATOM 604 O GLU A 351 3.078 28.745 19.709 1.00 5.92 O ATOM 605 CB GLU A 351 4.435 31.649 18.667 1.00 4.80 C ATOM 606 CG GLU A 351 4.819 33.045 19.142 1.00 6.51 C ATOM 607 CD GLU A 351 4.761 34.075 18.051 1.00 9.11 C ATOM 608 OE1 GLU A 351 4.688 33.690 16.865 1.00 8.60 O ATOM 609 OE2 GLU A 351 4.791 35.272 18.377 1.00 11.82 O ATOM 610 H GLU A 351 6.748 31.067 19.581 1.00 0.00 H ATOM 611 N ALA A 352 4.901 28.597 18.389 1.00 6.07 N ATOM 612 CA ALA A 352 4.543 27.280 17.870 1.00 6.92 C ATOM 613 C ALA A 352 4.485 26.220 18.970 1.00 4.94 C ATOM 614 O ALA A 352 3.582 25.370 18.972 1.00 5.39 O ATOM 615 CB ALA A 352 5.526 26.857 16.783 1.00 7.41 C ATOM 616 H ALA A 352 5.773 29.055 18.055 1.00 0.00 H ATOM 617 N VAL A 353 5.434 26.260 19.906 1.00 4.78 N ATOM 618 CA VAL A 353 5.393 25.324 21.034 1.00 6.89 C ATOM 619 C VAL A 353 4.094 25.462 21.819 1.00 5.97 C ATOM 620 O VAL A 353 3.426 24.479 22.107 1.00 6.54 O ATOM 621 CB VAL A 353 6.607 25.485 21.981 1.00 5.38 C ATOM 622 CG1 VAL A 353 6.414 24.674 23.248 1.00 6.78 C ATOM 623 CG2 VAL A 353 7.889 25.051 21.260 1.00 7.16 C ATOM 624 H VAL A 353 6.204 26.956 19.836 1.00 0.00 H ATOM 625 N THR A 354 3.707 26.690 22.125 1.00 4.70 N ATOM 626 CA THR A 354 2.487 26.910 22.890 1.00 6.29 C ATOM 627 C THR A 354 1.276 26.392 22.122 1.00 6.59 C ATOM 628 O THR A 354 0.437 25.662 22.667 1.00 5.52 O ATOM 629 CB THR A 354 2.331 28.400 23.239 1.00 6.11 C ATOM 630 OG1 THR A 354 3.328 28.760 24.207 1.00 8.69 O ATOM 631 CG2 THR A 354 0.944 28.707 23.793 1.00 7.70 C ATOM 632 HG1 THR A 354 4.228 28.598 23.828 1.00 0.00 H ATOM 633 H THR A 354 4.278 27.503 21.817 1.00 0.00 H ATOM 634 N ILE A 355 1.197 26.730 20.838 1.00 5.89 N ATOM 635 CA ILE A 355 0.038 26.339 20.055 1.00 6.21 C ATOM 636 C ILE A 355 -0.013 24.820 19.911 1.00 5.35 C ATOM 637 O ILE A 355 -1.062 24.188 20.117 1.00 6.37 O ATOM 638 CB ILE A 355 0.069 26.995 18.671 1.00 5.28 C ATOM 639 CG1 ILE A 355 -0.120 28.510 18.795 1.00 4.67 C ATOM 640 CG2 ILE A 355 -1.006 26.406 17.776 1.00 7.28 C ATOM 641 CD1 ILE A 355 0.335 29.278 17.558 1.00 6.99 C ATOM 642 H ILE A 355 1.965 27.274 20.395 1.00 0.00 H ATOM 643 N LEU A 356 1.121 24.220 19.557 1.00 5.08 N ATOM 644 CA LEU A 356 1.144 22.774 19.372 1.00 4.64 C ATOM 645 C LEU A 356 0.810 21.991 20.642 1.00 5.20 C ATOM 646 O LEU A 356 0.042 21.018 20.593 1.00 4.72 O ATOM 647 CB LEU A 356 2.488 22.333 18.773 1.00 4.82 C ATOM 648 CG LEU A 356 2.625 22.654 17.281 1.00 4.10 C ATOM 649 CD1 LEU A 356 4.092 22.759 16.899 1.00 6.36 C ATOM 650 CD2 LEU A 356 1.911 21.619 16.435 1.00 6.25 C ATOM 651 H LEU A 356 1.986 24.779 19.413 1.00 0.00 H ATOM 652 N SER A 357 1.376 22.408 21.771 1.00 4.67 N ATOM 653 CA SER A 357 1.184 21.672 23.022 1.00 4.85 C ATOM 654 C SER A 357 -0.225 21.827 23.592 1.00 6.56 C ATOM 655 O SER A 357 -0.629 21.031 24.440 1.00 8.34 O ATOM 656 CB SER A 357 2.226 22.092 24.081 1.00 5.00 C ATOM 657 OG SER A 357 3.531 21.658 23.710 1.00 5.69 O ATOM 658 HG SER A 357 3.539 20.671 23.629 1.00 0.00 H ATOM 659 H SER A 357 1.962 23.267 21.765 1.00 0.00 H ATOM 660 N GLN A 358 -0.968 22.833 23.135 1.00 5.71 N ATOM 661 CA GLN A 358 -2.359 23.042 23.534 1.00 7.73 C ATOM 662 C GLN A 358 -3.312 22.043 22.904 1.00 4.75 C ATOM 663 O GLN A 358 -4.417 21.841 23.411 1.00 7.45 O ATOM 664 CB GLN A 358 -2.835 24.447 23.132 1.00 8.51 C ATOM 665 CG GLN A 358 -2.466 25.499 24.140 1.00 11.31 C ATOM 666 CD GLN A 358 -2.871 26.876 23.693 1.00 10.17 C ATOM 667 OE1 GLN A 358 -3.538 27.041 22.676 1.00 21.01 O ATOM 668 NE2 GLN A 358 -2.475 27.885 24.462 1.00 9.91 N ATOM 669 HE22 GLN A 358 -1.911 27.698 25.315 1.00 0.00 H ATOM 670 HE21 GLN A 358 -2.729 28.862 24.210 1.00 0.00 H ATOM 671 H GLN A 358 -0.539 23.501 22.463 1.00 0.00 H ATOM 672 N GLN A 359 -2.909 21.426 21.796 1.00 4.95 N ATOM 673 CA GLN A 359 -3.865 20.603 21.066 1.00 5.04 C ATOM 674 C GLN A 359 -4.056 19.262 21.750 1.00 5.46 C ATOM 675 O GLN A 359 -3.107 18.702 22.290 1.00 7.77 O ATOM 676 CB GLN A 359 -3.414 20.418 19.616 1.00 5.53 C ATOM 677 CG GLN A 359 -3.052 21.711 18.896 1.00 5.31 C ATOM 678 CD GLN A 359 -4.140 22.761 18.961 1.00 8.50 C ATOM 679 OE1 GLN A 359 -5.316 22.497 18.687 1.00 9.33 O ATOM 680 NE2 GLN A 359 -3.748 23.973 19.318 1.00 7.70 N ATOM 681 HE22 GLN A 359 -2.748 24.152 19.540 1.00 0.00 H ATOM 682 HE21 GLN A 359 -4.440 24.747 19.376 1.00 0.00 H ATOM 683 H GLN A 359 -1.931 21.529 21.458 1.00 0.00 H ATOM 684 N ARG A 360 -5.283 18.758 21.733 1.00 6.09 N ATOM 685 CA ARG A 360 -5.605 17.502 22.401 1.00 7.00 C ATOM 686 C ARG A 360 -6.390 16.565 21.507 1.00 6.25 C ATOM 687 O ARG A 360 -7.141 17.005 20.637 1.00 7.67 O ATOM 688 CB ARG A 360 -6.431 17.765 23.663 1.00 10.23 C ATOM 689 CG ARG A 360 -5.724 18.596 24.721 1.00 13.77 C ATOM 690 CD ARG A 360 -6.702 19.099 25.774 1.00 18.48 C ATOM 691 NE ARG A 360 -7.262 18.005 26.558 1.00 20.88 N ATOM 692 CZ ARG A 360 -8.563 17.808 26.747 1.00 35.89 C ATOM 693 NH1 ARG A 360 -9.448 18.634 26.204 1.00 40.73 N ATOM 694 NH2 ARG A 360 -8.981 16.783 27.482 1.00 33.66 N ATOM 695 HE ARG A 360 -6.600 17.335 26.998 1.00 0.00 H ATOM 696 HH12 ARG A 360 -10.465 18.478 26.353 1.00 0.00 H ATOM 697 HH11 ARG A 360 -9.124 19.438 25.629 1.00 0.00 H ATOM 698 HH22 ARG A 360 -9.999 16.630 27.629 1.00 0.00 H ATOM 699 HH21 ARG A 360 -8.290 16.134 27.910 1.00 0.00 H ATOM 700 H ARG A 360 -6.035 19.272 21.230 1.00 0.00 H ATOM 701 N GLY A 361 -6.224 15.270 21.747 1.00 6.03 N ATOM 702 CA GLY A 361 -7.081 14.262 21.146 1.00 7.48 C ATOM 703 C GLY A 361 -6.793 13.963 19.688 1.00 4.95 C ATOM 704 O GLY A 361 -5.729 13.445 19.347 1.00 7.16 O ATOM 705 H GLY A 361 -5.459 14.968 22.383 1.00 0.00 H ATOM 706 N GLU A 362 -7.758 14.281 18.833 1.00 5.38 N ATOM 707 CA GLU A 362 -7.635 14.076 17.395 1.00 6.95 C ATOM 708 C GLU A 362 -7.160 15.378 16.783 1.00 8.06 C ATOM 709 O GLU A 362 -7.892 16.367 16.763 1.00 9.53 O ATOM 710 CB GLU A 362 -8.973 13.662 16.784 1.00 7.78 C ATOM 711 CG GLU A 362 -9.504 12.347 17.332 1.00 8.31 C ATOM 712 CD GLU A 362 -10.831 11.931 16.735 1.00 10.47 C ATOM 713 OE1 GLU A 362 -11.576 12.805 16.241 1.00 11.90 O ATOM 714 OE2 GLU A 362 -11.136 10.725 16.780 1.00 11.74 O ATOM 715 H GLU A 362 -8.638 14.693 19.205 1.00 0.00 H ATOM 716 N ILE A 363 -5.927 15.378 16.304 1.00 5.91 N ATOM 717 CA ILE A 363 -5.235 16.600 15.932 1.00 6.07 C ATOM 718 C ILE A 363 -4.863 16.538 14.453 1.00 6.66 C ATOM 719 O ILE A 363 -4.147 15.626 14.018 1.00 6.85 O ATOM 720 CB ILE A 363 -3.981 16.759 16.785 1.00 5.63 C ATOM 721 CG1 ILE A 363 -4.351 16.790 18.274 1.00 6.82 C ATOM 722 CG2 ILE A 363 -3.230 18.011 16.375 1.00 7.37 C ATOM 723 CD1 ILE A 363 -3.169 16.607 19.181 1.00 8.96 C ATOM 724 H ILE A 363 -5.435 14.469 16.189 1.00 0.00 H ATOM 725 N GLU A 364 -5.349 17.496 13.673 1.00 6.42 N ATOM 726 CA GLU A 364 -5.037 17.529 12.249 1.00 7.20 C ATOM 727 C GLU A 364 -3.844 18.412 11.950 1.00 7.77 C ATOM 728 O GLU A 364 -3.803 19.576 12.363 1.00 9.97 O ATOM 729 CB GLU A 364 -6.232 18.010 11.428 1.00 10.14 C ATOM 730 CG GLU A 364 -5.956 17.941 9.933 1.00 24.27 C ATOM 731 CD GLU A 364 -7.215 17.940 9.096 1.00 35.86 C ATOM 732 OE1 GLU A 364 -7.813 19.022 8.925 1.00 40.91 O ATOM 733 OE2 GLU A 364 -7.604 16.856 8.609 1.00 44.14 O ATOM 734 H GLU A 364 -5.960 18.232 14.082 1.00 0.00 H ATOM 735 N PHE A 365 -2.882 17.877 11.209 1.00 7.71 N ATOM 736 CA PHE A 365 -1.703 18.630 10.810 1.00 6.42 C ATOM 737 C PHE A 365 -1.729 18.868 9.320 1.00 9.07 C ATOM 738 O PHE A 365 -2.161 18.001 8.544 1.00 10.51 O ATOM 739 CB PHE A 365 -0.435 17.837 11.115 1.00 9.38 C ATOM 740 CG PHE A 365 -0.071 17.803 12.567 1.00 8.90 C ATOM 741 CD1 PHE A 365 -0.679 16.905 13.427 1.00 7.34 C ATOM 742 CD2 PHE A 365 0.901 18.656 13.066 1.00 13.56 C ATOM 743 CE1 PHE A 365 -0.343 16.883 14.774 1.00 7.74 C ATOM 744 CE2 PHE A 365 1.254 18.625 14.407 1.00 10.64 C ATOM 745 CZ PHE A 365 0.634 17.731 15.259 1.00 7.22 C ATOM 746 H PHE A 365 -2.974 16.887 10.904 1.00 0.00 H ATOM 747 N GLU A 366 -1.263 20.041 8.912 1.00 6.59 N ATOM 748 CA GLU A 366 -0.982 20.302 7.507 1.00 7.29 C ATOM 749 C GLU A 366 0.527 20.436 7.380 1.00 4.72 C ATOM 750 O GLU A 366 1.136 21.306 8.010 1.00 7.89 O ATOM 751 CB GLU A 366 -1.682 21.578 7.053 1.00 8.27 C ATOM 752 CG GLU A 366 -1.502 21.899 5.577 1.00 9.66 C ATOM 753 CD GLU A 366 -2.312 23.112 5.152 1.00 24.48 C ATOM 754 OE1 GLU A 366 -3.152 23.574 5.953 1.00 27.96 O ATOM 755 OE2 GLU A 366 -2.112 23.604 4.024 1.00 25.56 O ATOM 756 H GLU A 366 -1.094 20.792 9.612 1.00 0.00 H ATOM 757 N VAL A 367 1.139 19.554 6.590 1.00 6.05 N ATOM 758 CA VAL A 367 2.595 19.467 6.520 1.00 6.35 C ATOM 759 C VAL A 367 3.099 19.370 5.090 1.00 6.62 C ATOM 760 O VAL A 367 2.361 18.996 4.178 1.00 7.71 O ATOM 761 CB VAL A 367 3.134 18.242 7.324 1.00 5.69 C ATOM 762 CG1 VAL A 367 2.808 18.372 8.803 1.00 7.12 C ATOM 763 CG2 VAL A 367 2.560 16.936 6.785 1.00 8.76 C ATOM 764 H VAL A 367 0.565 18.911 6.008 1.00 0.00 H ATOM 765 N VAL A 368 4.368 19.705 4.895 1.00 5.95 N ATOM 766 CA VAL A 368 4.990 19.515 3.587 1.00 6.13 C ATOM 767 C VAL A 368 6.464 19.203 3.757 1.00 7.64 C ATOM 768 O VAL A 368 7.143 19.818 4.585 1.00 8.37 O ATOM 769 CB VAL A 368 4.799 20.743 2.674 1.00 5.59 C ATOM 770 CG1 VAL A 368 5.513 21.952 3.230 1.00 7.45 C ATOM 771 CG2 VAL A 368 5.273 20.448 1.253 1.00 8.11 C ATOM 772 H VAL A 368 4.923 20.105 5.678 1.00 0.00 H ATOM 773 N TYR A 369 6.946 18.238 2.975 1.00 7.18 N ATOM 774 CA TYR A 369 8.366 17.927 2.936 1.00 9.40 C ATOM 775 C TYR A 369 9.035 18.612 1.760 1.00 10.56 C ATOM 776 O TYR A 369 8.617 18.421 0.623 1.00 12.20 O ATOM 777 CB TYR A 369 8.585 16.420 2.820 1.00 10.23 C ATOM 778 CG TYR A 369 10.037 16.017 2.903 1.00 10.65 C ATOM 779 CD1 TYR A 369 10.852 16.038 1.777 1.00 16.91 C ATOM 780 CD2 TYR A 369 10.596 15.614 4.108 1.00 10.39 C ATOM 781 CE1 TYR A 369 12.181 15.675 1.854 1.00 18.92 C ATOM 782 CE2 TYR A 369 11.922 15.246 4.193 1.00 16.75 C ATOM 783 CZ TYR A 369 12.709 15.281 3.064 1.00 19.33 C ATOM 784 OH TYR A 369 14.035 14.915 3.139 1.00 25.78 O ATOM 785 HH TYR A 369 14.504 15.508 3.778 1.00 0.00 H ATOM 786 H TYR A 369 6.291 17.694 2.378 1.00 0.00 H ATOM 787 N VAL A 370 10.088 19.371 2.044 1.00 10.70 N ATOM 788 CA VAL A 370 10.872 20.047 1.017 1.00 16.18 C ATOM 789 C VAL A 370 12.319 19.566 1.067 1.00 22.02 C ATOM 790 O VAL A 370 12.900 19.449 2.149 1.00 23.43 O ATOM 791 CB VAL A 370 10.842 21.571 1.217 1.00 15.71 C ATOM 792 CG1 VAL A 370 11.783 22.255 0.234 1.00 22.01 C ATOM 793 CG2 VAL A 370 9.419 22.094 1.077 1.00 17.96 C ATOM 794 H VAL A 370 10.364 19.488 3.040 1.00 0.00 H TER 795 VAL A 370 HETATM 796 O HOH 1 3.752 19.038 24.211 1.00 5.56 O HETATM 797 O HOH 2 -0.360 18.521 21.820 1.00 5.51 O HETATM 798 O HOH 3 6.303 10.140 17.938 1.00 6.26 O HETATM 799 O HOH 4 -1.445 8.801 16.280 1.00 7.87 O HETATM 800 O HOH 5 4.786 9.282 11.438 1.00 7.10 O HETATM 801 O HOH 6 0.696 24.876 25.374 1.00 7.44 O HETATM 802 O HOH 7 5.288 16.645 1.328 1.00 8.90 O HETATM 803 O HOH 8 6.126 28.852 24.461 1.00 9.18 O HETATM 804 O HOH 9 10.452 31.953 19.887 1.00 10.47 O HETATM 805 O HOH 10 -4.634 14.399 24.121 1.00 10.42 O HETATM 806 O HOH 11 -10.369 8.947 18.575 1.00 10.47 O HETATM 807 O HOH 12 5.871 6.744 11.407 1.00 12.82 O HETATM 808 O HOH 13 11.089 10.459 10.005 1.00 13.28 O HETATM 809 O HOH 14 -7.680 18.402 18.352 1.00 13.73 O HETATM 810 O HOH 15 13.720 11.014 14.576 1.00 13.76 O HETATM 811 O HOH 16 -7.479 20.523 21.002 1.00 17.71 O HETATM 812 O HOH 17 -2.273 6.974 19.430 1.00 13.81 O HETATM 813 O HOH 18 1.820 5.820 26.919 1.00 15.66 O HETATM 814 O HOH 19 9.023 7.287 12.375 1.00 14.76 O HETATM 815 O HOH 20 9.839 20.642 4.653 1.00 11.99 O HETATM 816 O HOH 21 5.137 5.750 8.865 1.00 15.18 O HETATM 817 O HOH 22 11.308 7.831 14.084 1.00 15.90 O HETATM 818 O HOH 23 -4.064 5.898 20.980 1.00 14.41 O HETATM 819 O HOH 24 -3.212 14.844 2.292 1.00 19.20 O HETATM 820 O HOH 25 1.715 12.019 5.051 1.00 13.79 O HETATM 821 O HOH 26 8.739 30.858 9.719 1.00 16.20 O HETATM 822 O HOH 27 12.180 12.130 6.325 1.00 19.12 O HETATM 823 O HOH 28 7.027 29.525 11.397 1.00 14.78 O HETATM 824 O HOH 29 10.064 31.393 6.832 1.00 24.70 O HETATM 825 O HOH 30 -10.366 15.495 19.602 1.00 19.83 O HETATM 826 O HOH 31 9.825 18.103 -3.162 1.00 19.67 O HETATM 827 O HOH 32 -7.387 6.756 20.993 1.00 13.95 O HETATM 828 O HOH 33 9.475 3.566 15.138 1.00 21.31 O HETATM 829 O HOH 34 1.533 31.848 11.185 1.00 19.34 O HETATM 830 O HOH 35 10.146 23.627 4.449 1.00 18.62 O HETATM 831 O HOH 36 6.028 14.145 0.207 1.00 17.25 O HETATM 832 O HOH 37 14.806 19.046 10.217 1.00 31.54 O HETATM 833 O HOH 38 7.670 13.499 4.631 1.00 16.87 O HETATM 834 O HOH 39 18.165 22.745 14.324 1.00 26.33 O HETATM 835 O HOH 40 9.951 11.850 4.365 1.00 20.86 O HETATM 836 O HOH 41 10.257 7.746 22.366 1.00 20.17 O HETATM 837 O HOH 42 -8.157 14.075 24.601 1.00 32.40 O HETATM 838 O HOH 43 -5.272 29.360 22.501 1.00 20.85 O HETATM 839 O HOH 44 -2.494 22.947 28.098 1.00 27.43 O HETATM 840 O HOH 45 7.949 5.172 23.096 1.00 24.35 O HETATM 841 O HOH 46 -13.936 12.407 15.427 1.00 25.90 O HETATM 842 O HOH 47 17.001 15.940 12.391 1.00 24.28 O HETATM 843 O HOH 48 8.512 15.847 -4.230 1.00 26.10 O HETATM 844 O HOH 49 -0.030 22.889 27.021 1.00 23.14 O HETATM 845 O HOH 50 -9.944 18.360 21.378 1.00 32.23 O HETATM 846 O HOH 51 13.045 19.404 4.848 1.00 27.69 O HETATM 847 O HOH 52 16.980 17.275 17.235 1.00 33.07 O HETATM 848 O HOH 53 -1.204 15.267 -0.485 1.00 30.91 O HETATM 849 O HOH 54 -1.509 12.364 1.967 1.00 34.93 O HETATM 850 O HOH 55 8.126 14.487 -1.482 1.00 32.58 O HETATM 851 O HOH 56 -11.555 15.098 14.601 1.00 26.51 O HETATM 852 O HOH 57 1.034 32.329 6.111 1.00 27.41 O HETATM 853 O HOH 58 12.737 9.289 12.067 1.00 14.89 O HETATM 854 O HOH 59 -2.461 19.521 25.444 1.00 23.08 O HETATM 855 O HOH 60 -3.328 26.090 6.335 1.00 33.30 O HETATM 856 O HOH 61 15.137 17.069 5.094 1.00 28.48 O HETATM 857 O HOH 62 -15.793 14.155 15.585 1.00 39.89 O HETATM 858 O HOH 63 17.329 35.392 11.485 1.00 35.42 O HETATM 859 O HOH 64 12.043 17.218 -1.553 1.00 32.65 O HETATM 860 O HOH 65 -8.682 25.019 16.286 1.00 30.08 O HETATM 861 O HOH 66 -9.315 20.181 19.179 1.00 36.91 O HETATM 862 O HOH 67 6.503 15.548 -6.093 1.00 12.94 O HETATM 863 O HOH 68 -4.320 30.853 11.726 1.00 20.05 O HETATM 864 O HOH 69 6.151 13.307 -4.517 1.00 24.41 O HETATM 865 O HOH 70 -2.674 17.286 24.410 1.00 31.69 O HETATM 866 O HOH 71 -1.006 18.419 -2.141 1.00 26.18 O HETATM 867 O HOH 72 0.456 18.383 -4.609 1.00 36.67 O HETATM 868 O HOH 73 -9.429 19.230 13.785 1.00 33.72 O HETATM 869 O HOH 74 10.291 34.156 21.610 1.00 33.03 O HETATM 870 O HOH 75 8.364 25.278 3.164 1.00 36.65 O HETATM 871 O HOH 76 3.949 12.561 -3.502 1.00 31.11 O HETATM 872 O HOH 77 11.496 9.824 23.142 1.00 41.58 O HETATM 873 O HOH 78 -4.618 22.051 10.110 1.00 18.61 O HETATM 874 O HOH 79 -2.875 25.640 27.915 1.00 21.58 O HETATM 875 O HOH 80 -1.568 31.535 14.054 1.00 32.18 O HETATM 876 O HOH 81 15.410 18.862 2.171 1.00 44.13 O HETATM 877 O HOH 82 11.434 37.689 18.347 1.00 41.68 O HETATM 878 O HOH 83 6.032 12.432 2.627 1.00 21.57 O HETATM 879 O HOH 84 -7.526 24.021 18.458 1.00 28.74 O HETATM 880 O HOH 85 -3.904 29.235 19.420 1.00 36.35 O HETATM 881 O HOH 86 -3.508 31.516 17.486 1.00 36.91 O HETATM 882 O HOH 87 -5.378 26.237 20.715 1.00 38.06 O HETATM 883 O HOH 88 16.048 20.691 0.695 1.00 38.93 O HETATM 884 O HOH 89 -7.714 28.467 21.725 1.00 39.00 O HETATM 885 O HOH 90 9.837 12.494 -0.744 1.00 42.03 O HETATM 886 O HOH 91 12.194 20.588 24.999 1.00 7.10 O HETATM 887 O HOH 92 14.089 22.458 25.252 1.00 15.51 O HETATM 888 O HOH 93 16.702 19.582 16.212 1.00 21.85 O HETATM 889 O HOH 94 13.562 24.771 23.720 1.00 18.51 O HETATM 890 O HOH 95 17.744 24.142 21.589 1.00 23.11 O HETATM 891 O HOH 96 19.971 29.390 16.495 1.00 32.86 O HETATM 892 O HOH 97 16.397 18.290 22.233 1.00 30.77 O HETATM 893 O HOH 98 15.496 20.612 23.604 1.00 32.65 O HETATM 894 O HOH 99 18.855 31.492 10.872 1.00 36.24 O HETATM 895 O HOH 100 18.824 22.858 18.395 1.00 26.11 O HETATM 896 O HOH 101 20.336 22.298 16.557 1.00 40.69 O HETATM 897 O HOH 102 16.668 15.036 24.219 1.00 34.67 O HETATM 898 O HOH 103 17.868 19.964 13.739 1.00 35.91 O HETATM 899 N TRP A 104 19.555 27.108 15.379 1.00 0.24 N HETATM 900 CA TRP A 104 18.167 27.261 15.803 1.00 0.07 C HETATM 901 C TRP A 104 17.923 26.442 17.063 1.00 0.23 C HETATM 902 O TRP A 104 18.597 25.444 17.313 1.00 -0.39 O HETATM 903 N TRP A 104 16.953 26.868 17.871 1.00 -0.25 N HETATM 904 CA TRP A 104 16.555 26.076 19.035 1.00 0.13 C HETATM 905 C TRP A 104 15.760 24.843 18.623 1.00 0.20 C HETATM 906 O TRP A 104 15.160 24.815 17.545 1.00 -0.39 O HETATM 907 N TRP A 104 15.750 23.847 19.498 1.00 -0.26 N HETATM 908 CA TRP A 104 14.938 22.652 19.316 1.00 0.16 C HETATM 909 C TRP A 104 14.120 22.436 20.574 1.00 0.21 C HETATM 910 O TRP A 104 14.639 22.594 21.683 1.00 -0.39 O HETATM 911 N TRP A 104 12.841 22.094 20.411 1.00 -0.26 N HETATM 912 CA TRP A 104 11.988 21.767 21.545 1.00 0.15 C HETATM 913 C TRP A 104 11.367 20.414 21.311 1.00 0.21 C HETATM 914 O TRP A 104 10.941 20.116 20.194 1.00 -0.39 O HETATM 915 N TRP A 104 11.335 19.594 22.357 1.00 -0.26 N HETATM 916 CA TRP A 104 10.590 18.343 22.347 1.00 0.13 C HETATM 917 C TRP A 104 9.200 18.649 22.821 1.00 0.20 C HETATM 918 O TRP A 104 9.015 19.319 23.850 1.00 -0.39 O HETATM 919 N TRP A 104 8.216 18.157 22.076 1.00 -0.27 N HETATM 920 CA TRP A 104 6.814 18.429 22.360 1.00 0.10 C HETATM 921 C TRP A 104 5.960 17.194 22.155 1.00 0.06 C HETATM 922 O TRP A 104 6.428 16.161 21.657 1.00 -0.57 O HETATM 923 OXT TRP A 104 4.781 17.231 22.487 1.00 -0.57 O HETATM 924 CB TRP A 104 6.238 19.565 21.485 1.00 -0.01 C HETATM 925 CG1 TRP A 104 6.322 19.228 19.997 1.00 -0.05 C HETATM 926 CD1 TRP A 104 5.700 20.317 19.110 1.00 -0.06 C HETATM 927 H TRP A 104 5.788 20.024 18.053 1.00 0.02 H HETATM 928 H TRP A 104 6.229 21.268 19.272 1.00 0.02 H HETATM 929 H TRP A 104 4.638 20.439 19.370 1.00 0.02 H HETATM 930 H TRP A 104 5.790 18.282 19.819 1.00 0.03 H HETATM 931 H TRP A 104 7.380 19.111 19.721 1.00 0.03 H HETATM 932 CG2 TRP A 104 6.951 20.879 21.762 1.00 -0.06 C HETATM 933 H TRP A 104 6.885 21.113 22.835 1.00 0.02 H HETATM 934 H TRP A 104 6.476 21.683 21.182 1.00 0.02 H HETATM 935 H TRP A 104 8.008 20.791 21.470 1.00 0.02 H HETATM 936 H TRP A 104 5.177 19.688 21.747 1.00 0.03 H HETATM 937 H TRP A 104 6.740 18.734 23.414 1.00 0.07 H HETATM 938 H TRP A 104 8.446 17.580 21.293 1.00 0.19 H HETATM 939 CB TRP A 104 11.239 17.324 23.289 1.00 -0.01 C HETATM 940 CG TRP A 104 12.639 16.942 22.872 1.00 -0.05 C HETATM 941 CD TRP A 104 13.002 15.568 23.390 1.00 -0.03 C HETATM 942 CE TRP A 104 13.102 15.581 24.893 1.00 0.03 C HETATM 943 NZ TRP A 104 14.239 16.414 25.334 1.00 -0.29 N HETATM 944 C02 TRP A 104 14.151 17.693 26.021 1.00 0.21 C HETATM 945 O03 TRP A 104 13.031 18.256 26.081 1.00 -0.38 O HETATM 946 C04 TRP A 104 15.396 18.446 26.334 1.00 0.05 C HETATM 947 C05 TRP A 104 15.326 19.732 26.851 1.00 -0.04 C HETATM 948 C06 TRP A 104 16.493 20.426 27.138 1.00 -0.05 C HETATM 949 C07 TRP A 104 17.723 19.830 26.912 1.00 0.02 C HETATM 950 BR TRP A 104 19.354 20.794 27.315 1.00 -0.05 BR HETATM 951 C09 TRP A 104 17.793 18.546 26.394 1.00 -0.05 C HETATM 952 C10 TRP A 104 16.628 17.855 26.106 1.00 -0.04 C HETATM 953 H TRP A 104 16.680 16.851 25.702 1.00 0.07 H HETATM 954 H TRP A 104 18.757 18.084 26.215 1.00 0.07 H HETATM 955 H TRP A 104 16.442 21.432 27.538 1.00 0.07 H HETATM 956 H TRP A 104 14.362 20.194 27.030 1.00 0.07 H HETATM 957 H TRP A 104 15.156 16.066 25.142 1.00 0.18 H HETATM 958 H TRP A 104 13.247 14.552 25.254 1.00 0.05 H HETATM 959 H TRP A 104 12.171 15.989 25.313 1.00 0.05 H HETATM 960 H TRP A 104 13.970 15.265 22.965 1.00 0.03 H HETATM 961 H TRP A 104 12.227 14.850 23.085 1.00 0.03 H HETATM 962 H TRP A 104 13.349 17.678 23.277 1.00 0.03 H HETATM 963 H TRP A 104 12.700 16.940 21.774 1.00 0.03 H HETATM 964 H TRP A 104 10.618 16.416 23.305 1.00 0.03 H HETATM 965 H TRP A 104 11.280 17.757 24.299 1.00 0.03 H HETATM 966 H TRP A 104 10.560 17.933 21.327 1.00 0.08 H HETATM 967 H TRP A 104 11.842 19.846 23.182 1.00 0.19 H HETATM 968 CB TRP A 104 10.861 22.787 21.713 1.00 0.08 C HETATM 969 OG TRP A 104 11.382 24.074 22.016 1.00 -0.39 O HETATM 970 H TRP A 104 11.950 24.359 21.309 1.00 0.21 H HETATM 971 H TRP A 104 10.202 22.464 22.532 1.00 0.06 H HETATM 972 H TRP A 104 10.284 22.843 20.778 1.00 0.06 H HETATM 973 H TRP A 104 12.597 21.745 22.461 1.00 0.08 H HETATM 974 H TRP A 104 12.459 22.061 19.488 1.00 0.19 H HETATM 975 CB TRP A 104 15.816 21.427 19.072 1.00 0.09 C HETATM 976 OG1 TRP A 104 16.560 21.638 17.870 1.00 -0.39 O HETATM 977 H TRP A 104 17.101 22.413 17.966 1.00 0.21 H HETATM 978 CG2 TRP A 104 14.963 20.167 18.922 1.00 -0.03 C HETATM 979 H TRP A 104 15.617 19.300 18.747 1.00 0.03 H HETATM 980 H TRP A 104 14.278 20.287 18.070 1.00 0.03 H HETATM 981 H TRP A 104 14.380 20.007 19.841 1.00 0.03 H HETATM 982 H TRP A 104 16.507 21.298 19.918 1.00 0.06 H HETATM 983 H TRP A 104 14.267 22.794 18.456 1.00 0.08 H HETATM 984 H TRP A 104 16.322 23.919 20.315 1.00 0.19 H HETATM 985 CB TRP A 104 15.628 27.029 19.792 1.00 -0.01 C HETATM 986 CG TRP A 104 15.027 27.876 18.714 1.00 -0.03 C HETATM 987 CD TRP A 104 16.171 28.111 17.760 1.00 0.04 C HETATM 988 H TRP A 104 15.806 28.258 16.733 1.00 0.05 H HETATM 989 H TRP A 104 16.768 28.983 18.066 1.00 0.05 H HETATM 990 H TRP A 104 14.657 28.827 19.124 1.00 0.03 H HETATM 991 H TRP A 104 14.202 27.347 18.214 1.00 0.03 H HETATM 992 H TRP A 104 16.197 27.646 20.503 1.00 0.03 H HETATM 993 H TRP A 104 14.849 26.471 20.332 1.00 0.03 H HETATM 994 H TRP A 104 17.427 25.783 19.639 1.00 0.08 H HETATM 995 CB TRP A 104 17.194 26.797 14.719 1.00 0.02 C HETATM 996 CG TRP A 104 17.530 27.265 13.332 1.00 -0.04 C HETATM 997 CD1 TRP A 104 18.107 28.456 12.971 1.00 0.02 C HETATM 998 NE1 TRP A 104 18.250 28.510 11.601 1.00 -0.29 N HETATM 999 CE2 TRP A 104 17.770 27.347 11.058 1.00 0.06 C HETATM 1000 CD2 TRP A 104 17.305 26.542 12.120 1.00 -0.02 C HETATM 1001 CE3 TRP A 104 16.762 25.289 11.828 1.00 -0.07 C HETATM 1002 CZ3 TRP A 104 16.699 24.881 10.509 1.00 -0.08 C HETATM 1003 CH2 TRP A 104 17.163 25.699 9.474 1.00 -0.08 C HETATM 1004 CZ2 TRP A 104 17.700 26.931 9.725 1.00 -0.04 C HETATM 1005 H TRP A 104 18.058 27.562 8.920 1.00 0.05 H HETATM 1006 H TRP A 104 17.095 25.349 8.450 1.00 0.05 H HETATM 1007 H TRP A 104 16.282 23.909 10.272 1.00 0.05 H HETATM 1008 H TRP A 104 16.396 24.648 12.622 1.00 0.05 H HETATM 1009 H TRP A 104 18.652 29.297 11.072 1.00 0.22 H HETATM 1010 H TRP A 104 18.407 29.241 13.663 1.00 0.08 H HETATM 1011 H TRP A 104 16.192 27.173 14.974 1.00 0.04 H HETATM 1012 H TRP A 104 17.183 25.697 14.716 1.00 0.04 H HETATM 1013 H TRP A 104 17.979 28.323 16.019 1.00 0.11 H HETATM 1014 H TRP A 104 19.713 27.651 14.545 1.00 0.20 H HETATM 1015 H TRP A 104 19.743 26.136 15.188 1.00 0.20 H HETATM 1016 H TRP A 104 20.168 27.431 16.111 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 899 900 1014 1015 1016 CONECT 900 899 901 995 1013 CONECT 901 900 902 903 CONECT 902 901 CONECT 903 901 904 987 CONECT 904 903 905 985 994 CONECT 905 904 906 907 CONECT 906 905 CONECT 907 905 908 984 CONECT 908 907 909 975 983 CONECT 909 908 910 911 CONECT 910 909 CONECT 911 909 912 974 CONECT 912 911 913 968 973 CONECT 913 912 914 915 CONECT 914 913 CONECT 915 913 916 967 CONECT 916 915 917 939 966 CONECT 917 916 918 919 CONECT 918 917 CONECT 919 917 920 938 CONECT 920 919 921 924 937 CONECT 921 920 922 923 CONECT 922 921 CONECT 923 921 CONECT 924 920 925 932 936 CONECT 925 924 926 930 931 CONECT 926 925 927 928 929 CONECT 927 926 CONECT 928 926 CONECT 929 926 CONECT 930 925 CONECT 931 925 CONECT 932 924 933 934 935 CONECT 933 932 CONECT 934 932 CONECT 935 932 CONECT 936 924 CONECT 937 920 CONECT 938 919 CONECT 939 916 940 964 965 CONECT 940 939 941 962 963 CONECT 941 940 942 960 961 CONECT 942 941 943 958 959 CONECT 943 942 944 957 CONECT 944 943 945 946 CONECT 945 944 CONECT 946 944 947 952 CONECT 947 946 948 956 CONECT 948 947 949 955 CONECT 949 948 950 951 CONECT 950 949 CONECT 951 949 952 954 CONECT 952 946 951 953 CONECT 953 952 CONECT 954 951 CONECT 955 948 CONECT 956 947 CONECT 957 943 CONECT 958 942 CONECT 959 942 CONECT 960 941 CONECT 961 941 CONECT 962 940 CONECT 963 940 CONECT 964 939 CONECT 965 939 CONECT 966 916 CONECT 967 915 CONECT 968 912 969 971 972 CONECT 969 968 970 CONECT 970 969 CONECT 971 968 CONECT 972 968 CONECT 973 912 CONECT 974 911 CONECT 975 908 976 978 982 CONECT 976 975 977 CONECT 977 976 CONECT 978 975 979 980 981 CONECT 979 978 CONECT 980 978 CONECT 981 978 CONECT 982 975 CONECT 983 908 CONECT 984 907 CONECT 985 904 986 992 993 CONECT 986 985 987 990 991 CONECT 987 903 986 988 989 CONECT 988 987 CONECT 989 987 CONECT 990 986 CONECT 991 986 CONECT 992 985 CONECT 993 985 CONECT 994 904 CONECT 995 900 996 1011 1012 CONECT 996 995 997 1000 CONECT 997 996 998 1010 CONECT 998 997 999 1009 CONECT 999 998 1000 1004 CONECT 1000 996 999 1001 CONECT 1001 1000 1002 1008 CONECT 1002 1001 1003 1007 CONECT 1003 1002 1004 1006 CONECT 1004 999 1003 1005 CONECT 1005 1004 CONECT 1006 1003 CONECT 1007 1002 CONECT 1008 1001 CONECT 1009 998 CONECT 1010 997 CONECT 1011 995 CONECT 1012 995 CONECT 1013 900 CONECT 1014 899 CONECT 1015 899 CONECT 1016 899 MASTER 0 0 0 0 0 0 0 0 1015 1 122 7 END
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Ligand 2D
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Related entries of code: 4nmv
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%
4nms
RCSB PDB
PDBbind
87aa, >4NMS_1|Chains... at 100%
4nmt
RCSB PDB
PDBbind
87aa, >4NMT_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
4nms
RCSB PDB
PDBbind
10-mer
4nmt
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
4nmv
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
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=11.1uM
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
BrN
8
O
1
0
Molecular Weight
914.862
Exact Mass
913.346
No. of atoms
119
No. of bonds
122
Polar Surface Area
287
LOGP Value
0.66 (
Computed with XLOGP3
)
2.01 (
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)Br)C
InChI String
InChI=1S/C42H57BrN8O10/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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