Browse entries in the PDBbind-CN Database
HEADER 4NMP_COMPLEX COMPND 4NMP_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 188 116 ATOM 1 N GLY A 284 7.598 18.998 -1.769 1.00 10.52 N ATOM 2 CA GLY A 284 6.683 17.941 -2.136 1.00 10.09 C ATOM 3 C GLY A 284 5.252 18.424 -2.059 1.00 7.68 C ATOM 4 O GLY A 284 4.999 19.621 -1.864 1.00 6.87 O ATOM 5 HN3 GLY A 284 7.398 19.306 -0.796 1.00 0.00 H ATOM 6 HN2 GLY A 284 7.478 19.801 -2.419 1.00 0.00 H ATOM 7 HN1 GLY A 284 8.575 18.646 -1.828 1.00 0.00 H ATOM 8 N PRO A 285 4.304 17.502 -2.186 1.00 7.38 N ATOM 9 CA PRO A 285 2.891 17.863 -2.104 1.00 6.50 C ATOM 10 C PRO A 285 2.506 18.238 -0.681 1.00 7.75 C ATOM 11 O PRO A 285 3.021 17.665 0.276 1.00 7.91 O ATOM 12 CB PRO A 285 2.189 16.558 -2.491 1.00 9.39 C ATOM 13 CG PRO A 285 3.144 15.487 -2.063 1.00 11.76 C ATOM 14 CD PRO A 285 4.503 16.050 -2.359 1.00 11.06 C ATOM 15 N ILE A 286 1.591 19.176 -0.535 1.00 5.12 N ATOM 16 CA ILE A 286 1.047 19.466 0.780 1.00 6.29 C ATOM 17 C ILE A 286 0.144 18.309 1.185 1.00 6.94 C ATOM 18 O ILE A 286 -0.658 17.833 0.372 1.00 9.57 O ATOM 19 CB ILE A 286 0.283 20.797 0.773 1.00 6.45 C ATOM 20 CG1 ILE A 286 1.240 21.949 0.446 1.00 9.72 C ATOM 21 CG2 ILE A 286 -0.408 21.024 2.120 1.00 9.29 C ATOM 22 CD1 ILE A 286 0.572 23.314 0.335 1.00 11.43 C ATOM 23 H ILE A 286 1.258 19.709 -1.363 1.00 0.00 H ATOM 24 N ARG A 287 0.277 17.847 2.424 1.00 5.78 N ATOM 25 CA ARG A 287 -0.506 16.715 2.920 1.00 6.80 C ATOM 26 C ARG A 287 -1.281 17.105 4.160 1.00 6.54 C ATOM 27 O ARG A 287 -0.828 17.930 4.959 1.00 7.95 O ATOM 28 CB ARG A 287 0.405 15.547 3.306 1.00 7.49 C ATOM 29 CG ARG A 287 1.185 14.951 2.161 1.00 11.98 C ATOM 30 CD ARG A 287 2.667 14.893 2.468 1.00 12.22 C ATOM 31 NE ARG A 287 2.982 14.263 3.755 1.00 7.72 N ATOM 32 CZ ARG A 287 4.082 14.541 4.448 1.00 7.59 C ATOM 33 NH1 ARG A 287 4.934 15.442 3.986 1.00 7.43 N ATOM 34 NH2 ARG A 287 4.316 13.956 5.613 1.00 6.38 N ATOM 35 HE ARG A 287 2.314 13.567 4.143 1.00 0.00 H ATOM 36 HH12 ARG A 287 5.797 15.665 4.522 1.00 0.00 H ATOM 37 HH11 ARG A 287 4.741 15.927 3.087 1.00 0.00 H ATOM 38 HH22 ARG A 287 5.181 14.183 6.144 1.00 0.00 H ATOM 39 HH21 ARG A 287 3.635 13.270 5.996 1.00 0.00 H ATOM 40 H ARG A 287 0.959 18.305 3.061 1.00 0.00 H ATOM 41 N LYS A 288 -2.456 16.509 4.316 1.00 7.10 N ATOM 42 CA LYS A 288 -3.202 16.610 5.559 1.00 7.89 C ATOM 43 C LYS A 288 -3.059 15.281 6.287 1.00 7.05 C ATOM 44 O LYS A 288 -3.241 14.220 5.686 1.00 8.81 O ATOM 45 CB LYS A 288 -4.672 16.929 5.293 1.00 14.21 C ATOM 46 CG LYS A 288 -4.883 18.266 4.596 1.00 21.75 C ATOM 47 CD LYS A 288 -6.342 18.699 4.639 1.00 30.85 C ATOM 48 CE LYS A 288 -6.607 19.854 3.681 1.00 38.39 C ATOM 49 NZ LYS A 288 -6.906 21.132 4.386 1.00 40.93 N ATOM 50 HZ1 LYS A 288 -7.752 21.010 4.979 1.00 0.00 H ATOM 51 HZ2 LYS A 288 -6.097 21.394 4.984 1.00 0.00 H ATOM 52 HZ3 LYS A 288 -7.078 21.881 3.685 1.00 0.00 H ATOM 53 H LYS A 288 -2.853 15.956 3.530 1.00 0.00 H ATOM 54 N VAL A 289 -2.713 15.336 7.568 1.00 5.04 N ATOM 55 CA VAL A 289 -2.386 14.142 8.348 1.00 5.44 C ATOM 56 C VAL A 289 -3.111 14.197 9.682 1.00 4.44 C ATOM 57 O VAL A 289 -3.098 15.229 10.361 1.00 6.73 O ATOM 58 CB VAL A 289 -0.863 14.078 8.604 1.00 4.91 C ATOM 59 CG1 VAL A 289 -0.508 12.946 9.542 1.00 7.37 C ATOM 60 CG2 VAL A 289 -0.107 13.935 7.283 1.00 8.64 C ATOM 61 H VAL A 289 -2.673 16.264 8.035 1.00 0.00 H ATOM 62 N LEU A 290 -3.745 13.096 10.072 1.00 3.56 N ATOM 63 CA LEU A 290 -4.440 13.006 11.349 1.00 3.94 C ATOM 64 C LEU A 290 -3.570 12.326 12.394 1.00 3.39 C ATOM 65 O LEU A 290 -2.970 11.284 12.126 1.00 4.14 O ATOM 66 CB LEU A 290 -5.735 12.207 11.182 1.00 4.91 C ATOM 67 CG LEU A 290 -6.600 12.005 12.426 1.00 5.89 C ATOM 68 CD1 LEU A 290 -7.111 13.351 12.923 1.00 9.75 C ATOM 69 CD2 LEU A 290 -7.759 11.071 12.121 1.00 7.04 C ATOM 70 H LEU A 290 -3.745 12.268 9.442 1.00 0.00 H ATOM 71 N LEU A 291 -3.531 12.896 13.594 1.00 3.63 N ATOM 72 CA LEU A 291 -2.779 12.330 14.705 1.00 3.27 C ATOM 73 C LEU A 291 -3.726 12.166 15.882 1.00 4.76 C ATOM 74 O LEU A 291 -4.536 13.051 16.140 1.00 5.27 O ATOM 75 CB LEU A 291 -1.608 13.256 15.064 1.00 4.75 C ATOM 76 CG LEU A 291 -0.733 12.901 16.271 1.00 4.39 C ATOM 77 CD1 LEU A 291 0.679 13.472 16.098 1.00 5.25 C ATOM 78 CD2 LEU A 291 -1.356 13.394 17.562 1.00 4.14 C ATOM 79 H LEU A 291 -4.058 13.780 13.745 1.00 0.00 H ATOM 80 N LEU A 292 -3.653 11.028 16.563 1.00 3.94 N ATOM 81 CA LEU A 292 -4.472 10.763 17.740 1.00 3.96 C ATOM 82 C LEU A 292 -3.560 10.719 18.947 1.00 5.49 C ATOM 83 O LEU A 292 -2.628 9.918 19.006 1.00 5.50 O ATOM 84 CB LEU A 292 -5.217 9.434 17.605 1.00 5.46 C ATOM 85 CG LEU A 292 -6.636 9.506 17.042 1.00 5.98 C ATOM 86 CD1 LEU A 292 -6.709 10.271 15.727 1.00 8.96 C ATOM 87 CD2 LEU A 292 -7.231 8.111 16.890 1.00 6.26 C ATOM 88 H LEU A 292 -2.985 10.297 16.244 1.00 0.00 H ATOM 89 N LYS A 293 -3.843 11.594 19.904 1.00 8.06 N ATOM 90 CA LYS A 293 -3.014 11.784 21.097 1.00 14.81 C ATOM 91 C LYS A 293 -3.875 11.537 22.325 1.00 11.51 C ATOM 92 O LYS A 293 -5.021 11.990 22.388 1.00 10.51 O ATOM 93 CB LYS A 293 -2.461 13.227 21.151 1.00 15.29 C ATOM 94 CG LYS A 293 -1.312 13.441 22.157 1.00 18.57 C ATOM 95 CD LYS A 293 -0.822 14.891 22.224 1.00 12.71 C ATOM 96 CE LYS A 293 -1.745 15.775 23.036 1.00 14.19 C ATOM 97 NZ LYS A 293 -1.868 15.214 24.408 1.00 11.96 N ATOM 98 HZ1 LYS A 293 -2.260 14.252 24.354 1.00 0.00 H ATOM 99 HZ2 LYS A 293 -0.929 15.183 24.854 1.00 0.00 H ATOM 100 HZ3 LYS A 293 -2.501 15.816 24.972 1.00 0.00 H ATOM 101 H LYS A 293 -4.699 12.176 19.802 1.00 0.00 H ATOM 102 N GLU A 294 -3.335 10.821 23.307 1.00 9.51 N ATOM 103 CA GLU A 294 -4.004 10.728 24.584 1.00 10.47 C ATOM 104 C GLU A 294 -3.529 11.881 25.488 1.00 7.42 C ATOM 105 O GLU A 294 -2.487 12.479 25.233 1.00 6.33 O ATOM 106 CB GLU A 294 -3.743 9.357 25.227 1.00 14.68 C ATOM 107 CG GLU A 294 -3.984 8.141 24.300 1.00 15.56 C ATOM 108 CD GLU A 294 -5.403 8.056 23.752 1.00 15.28 C ATOM 109 OE1 GLU A 294 -6.304 8.722 24.304 1.00 15.72 O ATOM 110 OE2 GLU A 294 -5.616 7.307 22.762 1.00 15.38 O ATOM 111 H GLU A 294 -2.432 10.328 23.156 1.00 0.00 H ATOM 112 N ASP A 295 -4.272 12.193 26.543 1.00 10.13 N ATOM 113 CA ASP A 295 -3.975 13.398 27.315 1.00 9.30 C ATOM 114 C ASP A 295 -2.698 13.328 28.175 1.00 8.58 C ATOM 115 O ASP A 295 -2.181 14.352 28.611 1.00 10.81 O ATOM 116 CB ASP A 295 -5.172 13.791 28.191 1.00 18.06 C ATOM 117 CG ASP A 295 -6.367 14.279 27.378 1.00 20.92 C ATOM 118 OD1 ASP A 295 -6.219 14.523 26.160 1.00 14.98 O ATOM 119 OD2 ASP A 295 -7.458 14.427 27.966 1.00 25.69 O ATOM 120 H ASP A 295 -5.065 11.580 26.820 1.00 0.00 H ATOM 121 N HIS A 296 -2.197 12.118 28.396 1.00 5.43 N ATOM 122 CA HIS A 296 -1.005 11.890 29.216 1.00 4.41 C ATOM 123 C HIS A 296 0.281 11.937 28.384 1.00 4.71 C ATOM 124 O HIS A 296 1.370 11.756 28.925 1.00 5.93 O ATOM 125 CB HIS A 296 -1.103 10.523 29.903 1.00 5.40 C ATOM 126 CG HIS A 296 -0.927 9.373 28.962 1.00 5.60 C ATOM 127 ND1 HIS A 296 -1.805 9.129 27.929 1.00 6.63 N ATOM 128 CD2 HIS A 296 0.040 8.431 28.869 1.00 5.99 C ATOM 129 CE1 HIS A 296 -1.395 8.069 27.255 1.00 8.14 C ATOM 130 NE2 HIS A 296 -0.274 7.633 27.798 1.00 7.32 N ATOM 131 H HIS A 296 -2.671 11.297 27.968 1.00 0.00 H ATOM 132 N GLU A 297 0.146 12.162 27.082 1.00 4.78 N ATOM 133 CA GLU A 297 1.275 12.120 26.151 1.00 4.93 C ATOM 134 C GLU A 297 1.543 13.479 25.540 1.00 4.27 C ATOM 135 O GLU A 297 0.662 14.339 25.499 1.00 5.24 O ATOM 136 CB GLU A 297 0.952 11.191 24.974 1.00 11.66 C ATOM 137 CG GLU A 297 0.467 9.812 25.318 1.00 10.35 C ATOM 138 CD GLU A 297 0.160 9.013 24.065 1.00 6.10 C ATOM 139 OE1 GLU A 297 0.986 8.152 23.754 1.00 10.92 O ATOM 140 OE2 GLU A 297 -0.879 9.282 23.426 1.00 10.24 O ATOM 141 H GLU A 297 -0.801 12.377 26.709 1.00 0.00 H ATOM 142 N GLY A 298 2.758 13.653 25.023 1.00 4.50 N ATOM 143 CA GLY A 298 3.048 14.731 24.097 1.00 5.02 C ATOM 144 C GLY A 298 2.777 14.300 22.664 1.00 3.92 C ATOM 145 O GLY A 298 2.213 13.230 22.414 1.00 4.83 O ATOM 146 H GLY A 298 3.520 12.998 25.291 1.00 0.00 H ATOM 147 N LEU A 299 3.169 15.139 21.716 1.00 3.73 N ATOM 148 CA LEU A 299 3.005 14.808 20.307 1.00 4.65 C ATOM 149 C LEU A 299 4.012 13.764 19.853 1.00 3.81 C ATOM 150 O LEU A 299 3.731 12.989 18.938 1.00 5.02 O ATOM 151 CB LEU A 299 3.170 16.063 19.455 1.00 3.92 C ATOM 152 CG LEU A 299 2.034 17.068 19.616 1.00 3.83 C ATOM 153 CD1 LEU A 299 2.409 18.376 18.960 1.00 6.80 C ATOM 154 CD2 LEU A 299 0.747 16.525 19.016 1.00 5.79 C ATOM 155 H LEU A 299 3.600 16.047 21.982 1.00 0.00 H ATOM 156 N GLY A 300 5.184 13.747 20.471 1.00 3.85 N ATOM 157 CA GLY A 300 6.228 12.807 20.083 1.00 4.63 C ATOM 158 C GLY A 300 7.055 13.324 18.924 1.00 5.31 C ATOM 159 O GLY A 300 7.487 12.558 18.048 1.00 4.71 O ATOM 160 H GLY A 300 5.362 14.416 21.247 1.00 0.00 H ATOM 161 N ILE A 301 7.263 14.636 18.889 1.00 4.84 N ATOM 162 CA ILE A 301 8.146 15.195 17.874 1.00 7.16 C ATOM 163 C ILE A 301 9.080 16.197 18.499 1.00 4.43 C ATOM 164 O ILE A 301 8.811 16.738 19.577 1.00 5.26 O ATOM 165 CB ILE A 301 7.382 15.877 16.729 1.00 7.55 C ATOM 166 CG1 ILE A 301 6.615 17.079 17.245 1.00 8.11 C ATOM 167 CG2 ILE A 301 6.403 14.911 16.077 1.00 8.46 C ATOM 168 CD1 ILE A 301 5.814 17.800 16.170 1.00 11.32 C ATOM 169 H ILE A 301 6.799 15.259 19.581 1.00 0.00 H ATOM 170 N SER A 302 10.199 16.426 17.834 1.00 4.62 N ATOM 171 CA SER A 302 11.015 17.592 18.132 1.00 4.65 C ATOM 172 C SER A 302 10.889 18.525 16.951 1.00 5.57 C ATOM 173 O SER A 302 10.857 18.083 15.791 1.00 5.75 O ATOM 174 CB SER A 302 12.470 17.216 18.357 1.00 7.99 C ATOM 175 OG SER A 302 12.564 16.332 19.455 1.00 8.98 O ATOM 176 HG SER A 302 13.512 16.088 19.600 1.00 0.00 H ATOM 177 H SER A 302 10.499 15.765 17.089 1.00 0.00 H ATOM 178 N ILE A 303 10.773 19.816 17.248 1.00 4.30 N ATOM 179 CA ILE A 303 10.711 20.832 16.209 1.00 4.68 C ATOM 180 C ILE A 303 11.870 21.807 16.305 1.00 3.73 C ATOM 181 O ILE A 303 12.397 22.100 17.388 1.00 5.34 O ATOM 182 CB ILE A 303 9.371 21.619 16.220 1.00 5.47 C ATOM 183 CG1 ILE A 303 9.134 22.301 17.571 1.00 5.79 C ATOM 184 CG2 ILE A 303 8.201 20.711 15.842 1.00 5.88 C ATOM 185 CD1 ILE A 303 8.075 23.411 17.508 1.00 7.28 C ATOM 186 H ILE A 303 10.726 20.106 18.246 1.00 0.00 H ATOM 187 N THR A 304 12.265 22.299 15.144 1.00 4.12 N ATOM 188 CA THR A 304 13.240 23.364 15.054 1.00 5.21 C ATOM 189 C THR A 304 12.672 24.455 14.148 1.00 5.70 C ATOM 190 O THR A 304 11.560 24.337 13.633 1.00 6.79 O ATOM 191 CB THR A 304 14.580 22.820 14.540 1.00 7.25 C ATOM 192 OG1 THR A 304 15.599 23.816 14.703 1.00 11.39 O ATOM 193 CG2 THR A 304 14.472 22.382 13.087 1.00 7.63 C ATOM 194 HG1 THR A 304 15.683 24.046 15.662 1.00 0.00 H ATOM 195 H THR A 304 11.863 21.909 14.268 1.00 0.00 H ATOM 196 N GLY A 305 13.415 25.538 13.983 1.00 6.19 N ATOM 197 CA GLY A 305 12.996 26.597 13.087 1.00 6.81 C ATOM 198 C GLY A 305 12.051 27.591 13.717 1.00 4.93 C ATOM 199 O GLY A 305 11.908 27.663 14.935 1.00 7.04 O ATOM 200 H GLY A 305 14.311 25.630 14.503 1.00 0.00 H ATOM 201 N GLY A 306 11.401 28.371 12.868 1.00 5.80 N ATOM 202 CA GLY A 306 10.553 29.450 13.325 1.00 6.90 C ATOM 203 C GLY A 306 10.855 30.747 12.595 1.00 6.44 C ATOM 204 O GLY A 306 11.951 30.954 12.069 1.00 6.36 O ATOM 205 H GLY A 306 11.503 28.204 11.847 1.00 0.00 H ATOM 206 N LYS A 307 9.874 31.638 12.582 1.00 6.90 N ATOM 207 CA LYS A 307 9.958 32.863 11.795 1.00 8.04 C ATOM 208 C LYS A 307 11.183 33.717 12.118 1.00 8.07 C ATOM 209 O LYS A 307 11.757 34.344 11.226 1.00 9.43 O ATOM 210 CB LYS A 307 8.673 33.674 11.951 1.00 9.88 C ATOM 211 CG LYS A 307 8.692 35.019 11.250 1.00 14.29 C ATOM 212 CD LYS A 307 9.104 36.115 12.208 1.00 20.94 C ATOM 213 CE LYS A 307 8.091 37.244 12.211 1.00 20.98 C ATOM 214 NZ LYS A 307 8.105 37.967 13.510 1.00 14.36 N ATOM 215 HZ1 LYS A 307 7.870 37.305 14.277 1.00 0.00 H ATOM 216 HZ2 LYS A 307 9.051 38.366 13.673 1.00 0.00 H ATOM 217 HZ3 LYS A 307 7.403 38.734 13.486 1.00 0.00 H ATOM 218 H LYS A 307 9.021 31.459 13.149 1.00 0.00 H ATOM 219 N GLU A 308 11.586 33.743 13.384 1.00 8.16 N ATOM 220 CA GLU A 308 12.736 34.547 13.781 1.00 10.69 C ATOM 221 C GLU A 308 14.037 34.027 13.171 1.00 8.73 C ATOM 222 O GLU A 308 15.041 34.750 13.139 1.00 12.88 O ATOM 223 CB GLU A 308 12.836 34.669 15.312 1.00 12.44 C ATOM 224 CG GLU A 308 13.321 33.423 16.034 1.00 11.73 C ATOM 225 CD GLU A 308 12.201 32.499 16.497 1.00 10.57 C ATOM 226 OE1 GLU A 308 11.279 32.214 15.713 1.00 6.78 O ATOM 227 OE2 GLU A 308 12.252 32.045 17.662 1.00 12.92 O ATOM 228 H GLU A 308 11.076 33.185 14.098 1.00 0.00 H ATOM 229 N HIS A 309 14.012 32.792 12.673 1.00 7.76 N ATOM 230 CA HIS A 309 15.180 32.174 12.063 1.00 7.68 C ATOM 231 C HIS A 309 15.066 32.103 10.543 1.00 8.25 C ATOM 232 O HIS A 309 15.952 31.561 9.879 1.00 11.23 O ATOM 233 CB HIS A 309 15.373 30.767 12.622 1.00 9.01 C ATOM 234 CG HIS A 309 15.464 30.735 14.109 1.00 9.66 C ATOM 235 ND1 HIS A 309 16.487 31.349 14.797 1.00 11.50 N ATOM 236 CD2 HIS A 309 14.651 30.191 15.044 1.00 11.10 C ATOM 237 CE1 HIS A 309 16.305 31.178 16.094 1.00 10.96 C ATOM 238 NE2 HIS A 309 15.196 30.480 16.271 1.00 12.59 N ATOM 239 H HIS A 309 13.126 32.250 12.722 1.00 0.00 H ATOM 240 N GLY A 310 13.962 32.602 9.999 1.00 7.52 N ATOM 241 CA GLY A 310 13.762 32.604 8.560 1.00 9.73 C ATOM 242 C GLY A 310 13.478 31.234 7.973 1.00 12.14 C ATOM 243 O GLY A 310 13.640 31.022 6.770 1.00 14.93 O ATOM 244 H GLY A 310 13.225 33.000 10.616 1.00 0.00 H ATOM 245 N VAL A 311 13.046 30.297 8.806 1.00 11.41 N ATOM 246 CA VAL A 311 12.703 28.971 8.312 1.00 13.61 C ATOM 247 C VAL A 311 11.408 28.502 8.947 1.00 11.82 C ATOM 248 O VAL A 311 11.024 28.993 9.997 1.00 8.48 O ATOM 249 CB VAL A 311 13.816 27.959 8.592 1.00 18.25 C ATOM 250 CG1 VAL A 311 15.059 28.299 7.773 1.00 24.38 C ATOM 251 CG2 VAL A 311 14.136 27.936 10.068 1.00 15.37 C ATOM 252 H VAL A 311 12.952 30.511 9.819 1.00 0.00 H ATOM 253 N PRO A 312 10.722 27.554 8.301 1.00 9.87 N ATOM 254 CA PRO A 312 9.451 27.077 8.860 1.00 8.10 C ATOM 255 C PRO A 312 9.664 26.289 10.141 1.00 6.79 C ATOM 256 O PRO A 312 10.794 25.958 10.519 1.00 8.66 O ATOM 257 CB PRO A 312 8.920 26.139 7.771 1.00 12.43 C ATOM 258 CG PRO A 312 10.134 25.721 7.016 1.00 15.58 C ATOM 259 CD PRO A 312 11.035 26.915 7.012 1.00 12.95 C ATOM 260 N ILE A 313 8.561 26.008 10.814 1.00 6.73 N ATOM 261 CA ILE A 313 8.580 25.038 11.889 1.00 5.59 C ATOM 262 C ILE A 313 8.803 23.676 11.246 1.00 6.97 C ATOM 263 O ILE A 313 8.004 23.233 10.411 1.00 7.71 O ATOM 264 CB ILE A 313 7.262 25.056 12.666 1.00 6.85 C ATOM 265 CG1 ILE A 313 7.014 26.455 13.258 1.00 6.15 C ATOM 266 CG2 ILE A 313 7.250 23.966 13.736 1.00 6.65 C ATOM 267 CD1 ILE A 313 8.068 26.937 14.231 1.00 8.61 C ATOM 268 H ILE A 313 7.672 26.488 10.569 1.00 0.00 H ATOM 269 N LEU A 314 9.911 23.035 11.594 1.00 5.09 N ATOM 270 CA LEU A 314 10.333 21.802 10.943 1.00 6.39 C ATOM 271 C LEU A 314 10.417 20.674 11.946 1.00 5.52 C ATOM 272 O LEU A 314 10.907 20.854 13.065 1.00 6.55 O ATOM 273 CB LEU A 314 11.715 21.989 10.320 1.00 8.39 C ATOM 274 CG LEU A 314 11.786 22.932 9.121 1.00 12.28 C ATOM 275 CD1 LEU A 314 13.205 23.459 8.922 1.00 17.62 C ATOM 276 CD2 LEU A 314 11.274 22.220 7.876 1.00 15.68 C ATOM 277 H LEU A 314 10.499 23.426 12.358 1.00 0.00 H ATOM 278 N ILE A 315 9.941 19.504 11.545 1.00 5.87 N ATOM 279 CA ILE A 315 10.087 18.329 12.373 1.00 5.84 C ATOM 280 C ILE A 315 11.512 17.836 12.267 1.00 5.70 C ATOM 281 O ILE A 315 11.963 17.447 11.191 1.00 7.24 O ATOM 282 CB ILE A 315 9.121 17.227 11.939 1.00 4.96 C ATOM 283 CG1 ILE A 315 7.675 17.700 12.118 1.00 6.09 C ATOM 284 CG2 ILE A 315 9.398 15.953 12.726 1.00 6.15 C ATOM 285 CD1 ILE A 315 6.631 16.648 11.778 1.00 6.46 C ATOM 286 H ILE A 315 9.458 19.431 10.627 1.00 0.00 H ATOM 287 N SER A 316 12.228 17.862 13.382 1.00 5.47 N ATOM 288 CA SER A 316 13.599 17.375 13.389 1.00 7.00 C ATOM 289 C SER A 316 13.727 15.962 13.956 1.00 7.13 C ATOM 290 O SER A 316 14.720 15.289 13.687 1.00 8.42 O ATOM 291 CB SER A 316 14.519 18.340 14.135 1.00 9.99 C ATOM 292 OG SER A 316 14.140 18.441 15.482 1.00 10.95 O ATOM 293 HG SER A 316 13.210 18.776 15.538 1.00 0.00 H ATOM 294 H SER A 316 11.807 18.233 14.258 1.00 0.00 H ATOM 295 N GLU A 317 12.748 15.528 14.755 1.00 5.48 N ATOM 296 CA GLU A 317 12.732 14.159 15.283 1.00 5.91 C ATOM 297 C GLU A 317 11.303 13.659 15.363 1.00 4.84 C ATOM 298 O GLU A 317 10.381 14.424 15.655 1.00 5.66 O ATOM 299 CB GLU A 317 13.340 14.077 16.685 1.00 7.22 C ATOM 300 CG GLU A 317 14.753 14.589 16.810 1.00 10.62 C ATOM 301 CD GLU A 317 15.325 14.342 18.194 1.00 12.80 C ATOM 302 OE1 GLU A 317 14.770 14.867 19.181 1.00 14.17 O ATOM 303 OE2 GLU A 317 16.326 13.604 18.293 1.00 16.57 O ATOM 304 H GLU A 317 11.977 16.178 15.009 1.00 0.00 H ATOM 305 N ILE A 318 11.132 12.365 15.107 1.00 6.03 N ATOM 306 CA ILE A 318 9.899 11.645 15.423 1.00 5.86 C ATOM 307 C ILE A 318 10.282 10.603 16.477 1.00 6.99 C ATOM 308 O ILE A 318 11.070 9.691 16.202 1.00 7.31 O ATOM 309 CB ILE A 318 9.327 10.940 14.173 1.00 5.27 C ATOM 310 CG1 ILE A 318 8.937 11.955 13.082 1.00 8.16 C ATOM 311 CG2 ILE A 318 8.146 10.054 14.550 1.00 8.38 C ATOM 312 CD1 ILE A 318 7.677 12.755 13.378 1.00 9.75 C ATOM 313 H ILE A 318 11.912 11.841 14.661 1.00 0.00 H ATOM 314 N HIS A 319 9.742 10.722 17.676 1.00 4.52 N ATOM 315 CA HIS A 319 10.165 9.827 18.738 1.00 5.89 C ATOM 316 C HIS A 319 9.422 8.504 18.706 1.00 4.62 C ATOM 317 O HIS A 319 8.197 8.471 18.659 1.00 6.05 O ATOM 318 CB HIS A 319 10.070 10.539 20.076 1.00 8.43 C ATOM 319 CG HIS A 319 10.851 11.810 20.099 1.00 6.92 C ATOM 320 ND1 HIS A 319 10.255 13.053 20.148 1.00 12.15 N ATOM 321 CD2 HIS A 319 12.182 12.034 20.008 1.00 6.97 C ATOM 322 CE1 HIS A 319 11.186 13.985 20.128 1.00 6.38 C ATOM 323 NE2 HIS A 319 12.366 13.395 20.041 1.00 8.88 N ATOM 324 H HIS A 319 9.021 11.449 17.858 1.00 0.00 H ATOM 325 N PRO A 320 10.177 7.397 18.717 1.00 4.13 N ATOM 326 CA PRO A 320 9.598 6.077 18.453 1.00 4.75 C ATOM 327 C PRO A 320 8.476 5.739 19.412 1.00 3.97 C ATOM 328 O PRO A 320 8.606 5.915 20.619 1.00 6.11 O ATOM 329 CB PRO A 320 10.787 5.118 18.626 1.00 6.99 C ATOM 330 CG PRO A 320 11.779 5.872 19.459 1.00 8.41 C ATOM 331 CD PRO A 320 11.605 7.321 19.078 1.00 7.04 C ATOM 332 N GLY A 321 7.375 5.251 18.857 1.00 4.78 N ATOM 333 CA GLY A 321 6.258 4.783 19.654 1.00 6.32 C ATOM 334 C GLY A 321 5.320 5.849 20.191 1.00 5.62 C ATOM 335 O GLY A 321 4.305 5.506 20.794 1.00 5.78 O ATOM 336 H GLY A 321 7.311 5.203 17.820 1.00 0.00 H ATOM 337 N GLN A 322 5.648 7.122 19.980 1.00 4.09 N ATOM 338 CA GLN A 322 4.804 8.212 20.472 1.00 3.66 C ATOM 339 C GLN A 322 3.791 8.620 19.386 1.00 3.83 C ATOM 340 O GLN A 322 3.809 8.060 18.297 1.00 4.19 O ATOM 341 CB GLN A 322 5.669 9.353 21.024 1.00 4.07 C ATOM 342 CG GLN A 322 6.503 8.898 22.223 1.00 6.26 C ATOM 343 CD GLN A 322 5.644 8.290 23.335 1.00 10.56 C ATOM 344 OE1 GLN A 322 4.699 8.915 23.818 1.00 11.83 O ATOM 345 NE2 GLN A 322 5.975 7.064 23.745 1.00 14.45 N ATOM 346 HE22 GLN A 322 6.781 6.570 23.311 1.00 0.00 H ATOM 347 HE21 GLN A 322 5.427 6.602 24.499 1.00 0.00 H ATOM 348 H GLN A 322 6.519 7.346 19.457 1.00 0.00 H ATOM 349 N PRO A 323 2.860 9.542 19.696 1.00 3.59 N ATOM 350 CA PRO A 323 1.727 9.697 18.771 1.00 3.66 C ATOM 351 C PRO A 323 2.085 10.024 17.316 1.00 4.42 C ATOM 352 O PRO A 323 1.437 9.499 16.402 1.00 4.10 O ATOM 353 CB PRO A 323 0.885 10.794 19.431 1.00 4.35 C ATOM 354 CG PRO A 323 1.130 10.564 20.904 1.00 4.36 C ATOM 355 CD PRO A 323 2.592 10.178 20.999 1.00 3.57 C ATOM 356 N ALA A 324 3.090 10.859 17.081 1.00 3.48 N ATOM 357 CA ALA A 324 3.430 11.206 15.708 1.00 4.22 C ATOM 358 C ALA A 324 3.932 9.984 14.937 1.00 3.63 C ATOM 359 O ALA A 324 3.555 9.773 13.782 1.00 4.62 O ATOM 360 CB ALA A 324 4.447 12.333 15.671 1.00 4.08 C ATOM 361 H ALA A 324 3.631 11.263 17.872 1.00 0.00 H ATOM 362 N ASP A 325 4.777 9.172 15.567 1.00 3.83 N ATOM 363 CA ASP A 325 5.255 7.936 14.958 1.00 4.18 C ATOM 364 C ASP A 325 4.066 7.025 14.656 1.00 4.35 C ATOM 365 O ASP A 325 3.949 6.477 13.556 1.00 4.57 O ATOM 366 CB ASP A 325 6.218 7.230 15.921 1.00 4.89 C ATOM 367 CG ASP A 325 6.887 6.014 15.312 1.00 5.84 C ATOM 368 OD1 ASP A 325 7.103 5.998 14.084 1.00 6.57 O ATOM 369 OD2 ASP A 325 7.209 5.082 16.083 1.00 6.44 O ATOM 370 H ASP A 325 5.106 9.426 16.520 1.00 0.00 H ATOM 371 N ARG A 326 3.189 6.860 15.643 1.00 3.30 N ATOM 372 CA ARG A 326 2.045 5.976 15.497 1.00 3.74 C ATOM 373 C ARG A 326 1.082 6.404 14.394 1.00 4.46 C ATOM 374 O ARG A 326 0.464 5.551 13.749 1.00 5.29 O ATOM 375 CB ARG A 326 1.286 5.847 16.820 1.00 5.90 C ATOM 376 CG ARG A 326 2.133 5.305 17.949 1.00 4.89 C ATOM 377 CD ARG A 326 1.313 4.848 19.153 1.00 5.21 C ATOM 378 NE ARG A 326 0.372 5.832 19.706 1.00 6.68 N ATOM 379 CZ ARG A 326 0.546 6.503 20.846 1.00 5.93 C ATOM 380 NH1 ARG A 326 1.676 6.402 21.531 1.00 6.68 N ATOM 381 NH2 ARG A 326 -0.415 7.308 21.280 1.00 7.91 N ATOM 382 HE ARG A 326 -0.497 6.020 19.167 1.00 0.00 H ATOM 383 HH12 ARG A 326 1.796 6.932 22.418 1.00 0.00 H ATOM 384 HH11 ARG A 326 2.443 5.793 21.182 1.00 0.00 H ATOM 385 HH22 ARG A 326 -0.290 7.836 22.167 1.00 0.00 H ATOM 386 HH21 ARG A 326 -1.293 7.411 20.733 1.00 0.00 H ATOM 387 H ARG A 326 3.325 7.374 16.537 1.00 0.00 H ATOM 388 N CYS A 327 0.937 7.708 14.165 1.00 4.15 N ATOM 389 CA CYS A 327 -0.037 8.157 13.172 1.00 4.45 C ATOM 390 C CYS A 327 0.397 7.801 11.752 1.00 5.41 C ATOM 391 O CYS A 327 -0.435 7.722 10.856 1.00 5.09 O ATOM 392 CB CYS A 327 -0.362 9.653 13.302 1.00 5.84 C ATOM 393 SG CYS A 327 0.727 10.810 12.430 1.00 6.07 S ATOM 394 H CYS A 327 1.511 8.400 14.688 1.00 0.00 H ATOM 395 N GLY A 328 1.700 7.604 11.555 1.00 5.53 N ATOM 396 CA GLY A 328 2.233 7.127 10.286 1.00 5.97 C ATOM 397 C GLY A 328 2.521 8.164 9.206 1.00 5.85 C ATOM 398 O GLY A 328 3.262 7.885 8.260 1.00 7.18 O ATOM 399 H GLY A 328 2.360 7.798 12.335 1.00 0.00 H ATOM 400 N GLY A 329 1.954 9.361 9.324 1.00 6.71 N ATOM 401 CA GLY A 329 2.053 10.333 8.243 1.00 5.65 C ATOM 402 C GLY A 329 2.959 11.526 8.462 1.00 7.06 C ATOM 403 O GLY A 329 2.989 12.420 7.621 1.00 7.88 O ATOM 404 H GLY A 329 1.437 9.605 10.193 1.00 0.00 H ATOM 405 N LEU A 330 3.689 11.552 9.574 1.00 5.53 N ATOM 406 CA LEU A 330 4.584 12.668 9.903 1.00 5.28 C ATOM 407 C LEU A 330 6.030 12.192 9.909 1.00 7.35 C ATOM 408 O LEU A 330 6.339 11.147 10.494 1.00 8.63 O ATOM 409 CB LEU A 330 4.256 13.250 11.274 1.00 6.71 C ATOM 410 CG LEU A 330 2.881 13.908 11.403 1.00 6.11 C ATOM 411 CD1 LEU A 330 2.678 14.394 12.828 1.00 8.00 C ATOM 412 CD2 LEU A 330 2.714 15.067 10.429 1.00 7.05 C ATOM 413 H LEU A 330 3.623 10.752 10.235 1.00 0.00 H ATOM 414 N HIS A 331 6.922 12.969 9.298 1.00 6.28 N ATOM 415 CA HIS A 331 8.297 12.518 9.123 1.00 6.15 C ATOM 416 C HIS A 331 9.307 13.620 9.323 1.00 6.55 C ATOM 417 O HIS A 331 9.003 14.799 9.142 1.00 5.60 O ATOM 418 CB HIS A 331 8.452 11.899 7.745 1.00 10.17 C ATOM 419 CG HIS A 331 7.398 10.888 7.445 1.00 8.87 C ATOM 420 ND1 HIS A 331 7.339 9.669 8.086 1.00 10.91 N ATOM 421 CD2 HIS A 331 6.333 10.928 6.611 1.00 10.39 C ATOM 422 CE1 HIS A 331 6.295 8.993 7.642 1.00 11.17 C ATOM 423 NE2 HIS A 331 5.667 9.735 6.748 1.00 10.88 N ATOM 424 H HIS A 331 6.636 13.904 8.943 1.00 0.00 H ATOM 425 N VAL A 332 10.510 13.223 9.716 1.00 5.95 N ATOM 426 CA VAL A 332 11.602 14.173 9.822 1.00 6.31 C ATOM 427 C VAL A 332 11.761 14.933 8.499 1.00 7.17 C ATOM 428 O VAL A 332 11.743 14.353 7.409 1.00 7.23 O ATOM 429 CB VAL A 332 12.914 13.487 10.248 1.00 6.13 C ATOM 430 CG1 VAL A 332 14.101 14.452 10.120 1.00 9.80 C ATOM 431 CG2 VAL A 332 12.783 12.970 11.662 1.00 8.70 C ATOM 432 H VAL A 332 10.672 12.223 9.950 1.00 0.00 H ATOM 433 N GLY A 333 11.869 16.250 8.598 1.00 6.00 N ATOM 434 CA GLY A 333 11.999 17.080 7.417 1.00 7.49 C ATOM 435 C GLY A 333 10.691 17.715 6.981 1.00 7.32 C ATOM 436 O GLY A 333 10.695 18.621 6.146 1.00 9.09 O ATOM 437 H GLY A 333 11.860 16.695 9.538 1.00 0.00 H ATOM 438 N ASP A 334 9.566 17.242 7.515 1.00 6.03 N ATOM 439 CA ASP A 334 8.290 17.896 7.229 1.00 5.39 C ATOM 440 C ASP A 334 8.253 19.286 7.858 1.00 6.06 C ATOM 441 O ASP A 334 8.651 19.473 9.014 1.00 7.05 O ATOM 442 CB ASP A 334 7.117 17.087 7.792 1.00 6.27 C ATOM 443 CG ASP A 334 6.771 15.878 6.953 1.00 6.21 C ATOM 444 OD1 ASP A 334 7.138 15.828 5.757 1.00 7.31 O ATOM 445 OD2 ASP A 334 6.086 14.982 7.494 1.00 6.73 O ATOM 446 H ASP A 334 9.595 16.408 8.135 1.00 0.00 H ATOM 447 N ALA A 335 7.791 20.265 7.089 1.00 5.09 N ATOM 448 CA ALA A 335 7.457 21.570 7.635 1.00 5.14 C ATOM 449 C ALA A 335 6.003 21.511 8.081 1.00 5.16 C ATOM 450 O ALA A 335 5.144 20.985 7.360 1.00 6.25 O ATOM 451 CB ALA A 335 7.653 22.658 6.584 1.00 6.39 C ATOM 452 H ALA A 335 7.665 20.094 6.071 1.00 0.00 H ATOM 453 N ILE A 336 5.723 22.019 9.276 1.00 5.45 N ATOM 454 CA ILE A 336 4.349 22.085 9.753 1.00 5.67 C ATOM 455 C ILE A 336 3.738 23.408 9.335 1.00 5.44 C ATOM 456 O ILE A 336 4.088 24.478 9.852 1.00 6.25 O ATOM 457 CB ILE A 336 4.222 21.908 11.275 1.00 4.74 C ATOM 458 CG1 ILE A 336 4.941 20.635 11.725 1.00 5.64 C ATOM 459 CG2 ILE A 336 2.750 21.852 11.665 1.00 6.98 C ATOM 460 CD1 ILE A 336 4.989 20.429 13.226 1.00 5.99 C ATOM 461 H ILE A 336 6.494 22.374 9.878 1.00 0.00 H ATOM 462 N LEU A 337 2.831 23.333 8.372 1.00 5.69 N ATOM 463 CA LEU A 337 2.201 24.525 7.836 1.00 5.38 C ATOM 464 C LEU A 337 1.046 24.981 8.703 1.00 4.51 C ATOM 465 O LEU A 337 0.798 26.180 8.813 1.00 6.85 O ATOM 466 CB LEU A 337 1.719 24.277 6.403 1.00 5.81 C ATOM 467 CG LEU A 337 2.784 23.758 5.439 1.00 6.44 C ATOM 468 CD1 LEU A 337 2.172 23.450 4.082 1.00 9.58 C ATOM 469 CD2 LEU A 337 3.944 24.737 5.292 1.00 9.66 C ATOM 470 H LEU A 337 2.566 22.402 7.993 1.00 0.00 H ATOM 471 N ALA A 338 0.323 24.038 9.300 1.00 5.26 N ATOM 472 CA ALA A 338 -0.823 24.371 10.142 1.00 5.65 C ATOM 473 C ALA A 338 -1.170 23.210 11.046 1.00 5.55 C ATOM 474 O ALA A 338 -0.864 22.055 10.735 1.00 5.59 O ATOM 475 CB ALA A 338 -2.030 24.749 9.282 1.00 6.78 C ATOM 476 H ALA A 338 0.580 23.039 9.164 1.00 0.00 H ATOM 477 N VAL A 339 -1.797 23.518 12.174 1.00 5.75 N ATOM 478 CA VAL A 339 -2.322 22.483 13.051 1.00 6.37 C ATOM 479 C VAL A 339 -3.734 22.880 13.463 1.00 5.57 C ATOM 480 O VAL A 339 -3.959 24.004 13.930 1.00 6.79 O ATOM 481 CB VAL A 339 -1.392 22.238 14.268 1.00 5.27 C ATOM 482 CG1 VAL A 339 -1.322 23.473 15.158 1.00 6.42 C ATOM 483 CG2 VAL A 339 -1.851 21.012 15.037 1.00 7.10 C ATOM 484 H VAL A 339 -1.915 24.518 12.436 1.00 0.00 H ATOM 485 N ASN A 340 -4.686 21.971 13.276 1.00 6.60 N ATOM 486 CA ASN A 340 -6.091 22.256 13.540 1.00 7.20 C ATOM 487 C ASN A 340 -6.528 23.603 12.966 1.00 8.75 C ATOM 488 O ASN A 340 -7.253 24.364 13.617 1.00 10.35 O ATOM 489 CB ASN A 340 -6.400 22.177 15.037 1.00 9.80 C ATOM 490 CG ASN A 340 -6.490 20.748 15.533 1.00 7.61 C ATOM 491 OD1 ASN A 340 -6.786 19.833 14.762 1.00 7.00 O ATOM 492 ND2 ASN A 340 -6.275 20.554 16.824 1.00 7.99 N ATOM 493 HD22 ASN A 340 -6.027 21.357 17.436 1.00 0.00 H ATOM 494 HD21 ASN A 340 -6.354 19.598 17.226 1.00 0.00 H ATOM 495 H ASN A 340 -4.420 21.027 12.930 1.00 0.00 H ATOM 496 N GLY A 341 -6.071 23.896 11.753 1.00 8.15 N ATOM 497 CA GLY A 341 -6.458 25.117 11.066 1.00 9.78 C ATOM 498 C GLY A 341 -5.679 26.362 11.450 1.00 11.06 C ATOM 499 O GLY A 341 -5.894 27.425 10.862 1.00 14.41 O ATOM 500 H GLY A 341 -5.420 23.235 11.283 1.00 0.00 H ATOM 501 N VAL A 342 -4.789 26.254 12.433 1.00 8.49 N ATOM 502 CA VAL A 342 -3.969 27.387 12.852 1.00 7.78 C ATOM 503 C VAL A 342 -2.693 27.425 12.014 1.00 8.71 C ATOM 504 O VAL A 342 -1.865 26.512 12.090 1.00 8.04 O ATOM 505 CB VAL A 342 -3.593 27.280 14.338 1.00 9.11 C ATOM 506 CG1 VAL A 342 -2.810 28.500 14.779 1.00 9.18 C ATOM 507 CG2 VAL A 342 -4.840 27.121 15.199 1.00 9.41 C ATOM 508 H VAL A 342 -4.675 25.340 12.915 1.00 0.00 H ATOM 509 N ASN A 343 -2.528 28.482 11.222 1.00 7.97 N ATOM 510 CA ASN A 343 -1.364 28.627 10.359 1.00 8.50 C ATOM 511 C ASN A 343 -0.096 28.850 11.170 1.00 10.98 C ATOM 512 O ASN A 343 -0.043 29.747 12.015 1.00 12.97 O ATOM 513 CB ASN A 343 -1.556 29.800 9.387 1.00 11.76 C ATOM 514 CG ASN A 343 -0.375 29.978 8.448 1.00 14.40 C ATOM 515 OD1 ASN A 343 0.409 29.057 8.235 1.00 21.25 O ATOM 516 ND2 ASN A 343 -0.252 31.165 7.873 1.00 28.12 N ATOM 517 HD22 ASN A 343 -0.939 31.918 8.082 1.00 0.00 H ATOM 518 HD21 ASN A 343 0.531 31.344 7.213 1.00 0.00 H ATOM 519 H ASN A 343 -3.253 29.228 11.219 1.00 0.00 H ATOM 520 N LEU A 344 0.924 28.041 10.898 1.00 8.26 N ATOM 521 CA LEU A 344 2.205 28.133 11.587 1.00 8.07 C ATOM 522 C LEU A 344 3.321 28.629 10.681 1.00 10.11 C ATOM 523 O LEU A 344 4.485 28.555 11.045 1.00 9.66 O ATOM 524 CB LEU A 344 2.595 26.771 12.170 1.00 8.31 C ATOM 525 CG LEU A 344 1.650 26.223 13.233 1.00 7.24 C ATOM 526 CD1 LEU A 344 2.126 24.860 13.708 1.00 11.96 C ATOM 527 CD2 LEU A 344 1.551 27.181 14.406 1.00 11.12 C ATOM 528 H LEU A 344 0.803 27.314 10.164 1.00 0.00 H ATOM 529 N ARG A 345 2.984 29.127 9.495 1.00 9.78 N ATOM 530 CA ARG A 345 4.019 29.498 8.532 1.00 10.66 C ATOM 531 C ARG A 345 4.790 30.767 8.886 1.00 9.37 C ATOM 532 O ARG A 345 5.910 30.961 8.414 1.00 14.01 O ATOM 533 CB ARG A 345 3.437 29.584 7.116 1.00 10.60 C ATOM 534 CG ARG A 345 2.899 28.245 6.638 1.00 11.08 C ATOM 535 CD ARG A 345 2.345 28.330 5.238 1.00 16.30 C ATOM 536 NE ARG A 345 3.385 28.643 4.267 1.00 19.61 N ATOM 537 CZ ARG A 345 3.168 28.749 2.960 1.00 28.31 C ATOM 538 NH1 ARG A 345 1.949 28.560 2.475 1.00 25.72 N ATOM 539 NH2 ARG A 345 4.170 29.039 2.143 1.00 31.86 N ATOM 540 HE ARG A 345 4.353 28.792 4.617 1.00 0.00 H ATOM 541 HH12 ARG A 345 1.778 28.643 1.453 1.00 0.00 H ATOM 542 HH11 ARG A 345 1.164 28.329 3.117 1.00 0.00 H ATOM 543 HH22 ARG A 345 4.000 29.122 1.120 1.00 0.00 H ATOM 544 HH21 ARG A 345 5.127 29.184 2.524 1.00 0.00 H ATOM 545 H ARG A 345 1.981 29.253 9.252 1.00 0.00 H ATOM 546 N ASP A 346 4.192 31.621 9.709 1.00 10.82 N ATOM 547 CA ASP A 346 4.829 32.876 10.095 1.00 12.91 C ATOM 548 C ASP A 346 4.946 32.979 11.612 1.00 12.72 C ATOM 549 O ASP A 346 4.986 34.072 12.173 1.00 16.17 O ATOM 550 CB ASP A 346 4.040 34.065 9.538 1.00 17.76 C ATOM 551 CG ASP A 346 4.805 35.372 9.630 1.00 21.27 C ATOM 552 OD1 ASP A 346 6.049 35.346 9.527 1.00 19.58 O ATOM 553 OD2 ASP A 346 4.160 36.427 9.804 1.00 26.69 O ATOM 554 H ASP A 346 3.251 31.391 10.086 1.00 0.00 H ATOM 555 N THR A 347 5.006 31.830 12.273 1.00 10.38 N ATOM 556 CA THR A 347 5.054 31.797 13.720 1.00 9.01 C ATOM 557 C THR A 347 6.481 31.652 14.232 1.00 6.78 C ATOM 558 O THR A 347 7.299 30.940 13.646 1.00 5.97 O ATOM 559 CB THR A 347 4.158 30.672 14.235 1.00 12.94 C ATOM 560 OG1 THR A 347 4.739 29.398 13.919 1.00 17.58 O ATOM 561 CG2 THR A 347 2.796 30.791 13.553 1.00 11.92 C ATOM 562 HG1 THR A 347 4.835 29.315 12.937 1.00 0.00 H ATOM 563 H THR A 347 5.019 30.936 11.742 1.00 0.00 H ATOM 564 N LYS A 348 6.778 32.350 15.321 1.00 4.62 N ATOM 565 CA LYS A 348 8.059 32.178 15.991 1.00 6.02 C ATOM 566 C LYS A 348 8.125 30.828 16.695 1.00 4.97 C ATOM 567 O LYS A 348 7.098 30.205 16.974 1.00 5.50 O ATOM 568 CB LYS A 348 8.313 33.310 16.981 1.00 7.13 C ATOM 569 CG LYS A 348 8.372 34.692 16.332 1.00 9.92 C ATOM 570 CD LYS A 348 8.714 35.757 17.376 1.00 13.15 C ATOM 571 CE LYS A 348 8.025 37.070 17.096 1.00 25.41 C ATOM 572 NZ LYS A 348 8.442 38.122 18.069 1.00 28.91 N ATOM 573 HZ1 LYS A 348 8.196 37.818 19.033 1.00 0.00 H ATOM 574 HZ2 LYS A 348 9.470 38.267 18.002 1.00 0.00 H ATOM 575 HZ3 LYS A 348 7.950 39.011 17.848 1.00 0.00 H ATOM 576 H LYS A 348 6.087 33.028 15.700 1.00 0.00 H ATOM 577 N HIS A 349 9.343 30.372 16.972 1.00 4.78 N ATOM 578 CA HIS A 349 9.536 29.050 17.542 1.00 5.11 C ATOM 579 C HIS A 349 8.647 28.802 18.768 1.00 4.52 C ATOM 580 O HIS A 349 7.910 27.813 18.822 1.00 4.66 O ATOM 581 CB HIS A 349 11.006 28.838 17.909 1.00 5.21 C ATOM 582 CG HIS A 349 11.296 27.453 18.389 1.00 5.45 C ATOM 583 ND1 HIS A 349 11.613 26.420 17.530 1.00 5.22 N ATOM 584 CD2 HIS A 349 11.285 26.920 19.633 1.00 5.10 C ATOM 585 CE1 HIS A 349 11.797 25.313 18.232 1.00 4.75 C ATOM 586 NE2 HIS A 349 11.603 25.587 19.510 1.00 5.25 N ATOM 587 H HIS A 349 10.170 30.971 16.777 1.00 0.00 H ATOM 588 N LYS A 350 8.733 29.684 19.761 1.00 4.55 N ATOM 589 CA LYS A 350 8.021 29.466 21.023 1.00 5.32 C ATOM 590 C LYS A 350 6.517 29.661 20.884 1.00 4.78 C ATOM 591 O LYS A 350 5.741 29.025 21.591 1.00 5.34 O ATOM 592 CB LYS A 350 8.599 30.339 22.143 1.00 6.23 C ATOM 593 CG LYS A 350 9.985 29.901 22.589 1.00 6.09 C ATOM 594 CD LYS A 350 10.496 30.719 23.797 1.00 9.09 C ATOM 595 CE LYS A 350 9.820 30.320 25.104 1.00 9.37 C ATOM 596 NZ LYS A 350 10.212 31.171 26.272 1.00 11.54 N ATOM 597 HZ1 LYS A 350 11.239 31.101 26.421 1.00 0.00 H ATOM 598 HZ2 LYS A 350 9.955 32.160 26.080 1.00 0.00 H ATOM 599 HZ3 LYS A 350 9.714 30.841 27.123 1.00 0.00 H ATOM 600 H LYS A 350 9.313 30.539 19.640 1.00 0.00 H ATOM 601 N GLU A 351 6.100 30.507 19.948 1.00 5.43 N ATOM 602 CA GLU A 351 4.679 30.619 19.627 1.00 5.46 C ATOM 603 C GLU A 351 4.172 29.260 19.143 1.00 5.05 C ATOM 604 O GLU A 351 3.122 28.787 19.561 1.00 5.85 O ATOM 605 CB GLU A 351 4.453 31.685 18.551 1.00 5.55 C ATOM 606 CG GLU A 351 4.823 33.085 19.010 1.00 6.08 C ATOM 607 CD GLU A 351 4.772 34.104 17.899 1.00 6.65 C ATOM 608 OE1 GLU A 351 4.701 33.719 16.717 1.00 8.03 O ATOM 609 OE2 GLU A 351 4.790 35.305 18.213 1.00 8.73 O ATOM 610 H GLU A 351 6.791 31.095 19.439 1.00 0.00 H ATOM 611 N ALA A 352 4.922 28.634 18.243 1.00 4.91 N ATOM 612 CA ALA A 352 4.544 27.325 17.714 1.00 4.38 C ATOM 613 C ALA A 352 4.481 26.263 18.812 1.00 4.26 C ATOM 614 O ALA A 352 3.573 25.436 18.821 1.00 5.04 O ATOM 615 CB ALA A 352 5.503 26.887 16.612 1.00 6.71 C ATOM 616 H ALA A 352 5.797 29.085 17.908 1.00 0.00 H ATOM 617 N VAL A 353 5.432 26.283 19.739 1.00 4.65 N ATOM 618 CA VAL A 353 5.405 25.336 20.845 1.00 4.82 C ATOM 619 C VAL A 353 4.109 25.478 21.634 1.00 4.70 C ATOM 620 O VAL A 353 3.434 24.498 21.908 1.00 4.68 O ATOM 621 CB VAL A 353 6.608 25.514 21.785 1.00 5.38 C ATOM 622 CG1 VAL A 353 6.421 24.695 23.047 1.00 5.82 C ATOM 623 CG2 VAL A 353 7.901 25.122 21.078 1.00 5.17 C ATOM 624 H VAL A 353 6.201 26.980 19.675 1.00 0.00 H ATOM 625 N THR A 354 3.746 26.703 21.983 1.00 4.05 N ATOM 626 CA THR A 354 2.509 26.918 22.730 1.00 4.85 C ATOM 627 C THR A 354 1.291 26.405 21.956 1.00 3.43 C ATOM 628 O THR A 354 0.458 25.665 22.490 1.00 4.71 O ATOM 629 CB THR A 354 2.358 28.405 23.107 1.00 5.58 C ATOM 630 OG1 THR A 354 3.332 28.724 24.106 1.00 7.51 O ATOM 631 CG2 THR A 354 0.958 28.718 23.631 1.00 7.77 C ATOM 632 HG1 THR A 354 3.183 28.157 24.904 1.00 0.00 H ATOM 633 H THR A 354 4.343 27.514 21.725 1.00 0.00 H ATOM 634 N ILE A 355 1.206 26.757 20.680 1.00 4.29 N ATOM 635 CA ILE A 355 0.067 26.350 19.880 1.00 5.82 C ATOM 636 C ILE A 355 0.015 24.826 19.739 1.00 4.48 C ATOM 637 O ILE A 355 -1.029 24.207 19.966 1.00 4.86 O ATOM 638 CB ILE A 355 0.119 27.016 18.492 1.00 4.41 C ATOM 639 CG1 ILE A 355 -0.019 28.539 18.616 1.00 4.64 C ATOM 640 CG2 ILE A 355 -0.957 26.443 17.580 1.00 5.64 C ATOM 641 CD1 ILE A 355 0.358 29.289 17.348 1.00 6.04 C ATOM 642 H ILE A 355 1.961 27.329 20.250 1.00 0.00 H ATOM 643 N LEU A 356 1.142 24.221 19.380 1.00 3.54 N ATOM 644 CA LEU A 356 1.177 22.780 19.187 1.00 5.54 C ATOM 645 C LEU A 356 0.840 22.020 20.471 1.00 4.46 C ATOM 646 O LEU A 356 0.051 21.076 20.443 1.00 4.20 O ATOM 647 CB LEU A 356 2.531 22.353 18.630 1.00 4.80 C ATOM 648 CG LEU A 356 2.711 22.700 17.150 1.00 4.27 C ATOM 649 CD1 LEU A 356 4.179 22.805 16.784 1.00 5.59 C ATOM 650 CD2 LEU A 356 1.988 21.687 16.263 1.00 5.45 C ATOM 651 H LEU A 356 2.006 24.782 19.236 1.00 0.00 H ATOM 652 N SER A 357 1.424 22.426 21.594 1.00 3.17 N ATOM 653 CA SER A 357 1.201 21.720 22.846 1.00 4.51 C ATOM 654 C SER A 357 -0.218 21.876 23.394 1.00 4.41 C ATOM 655 O SER A 357 -0.614 21.102 24.256 1.00 6.50 O ATOM 656 CB SER A 357 2.234 22.139 23.907 1.00 3.86 C ATOM 657 OG SER A 357 3.534 21.699 23.546 1.00 4.36 O ATOM 658 HG SER A 357 3.537 20.712 23.469 1.00 0.00 H ATOM 659 H SER A 357 2.048 23.258 21.577 1.00 0.00 H ATOM 660 N GLN A 358 -0.969 22.874 22.921 1.00 3.81 N ATOM 661 CA GLN A 358 -2.346 23.073 23.370 1.00 5.30 C ATOM 662 C GLN A 358 -3.303 22.088 22.729 1.00 4.79 C ATOM 663 O GLN A 358 -4.401 21.865 23.248 1.00 5.96 O ATOM 664 CB GLN A 358 -2.839 24.493 23.060 1.00 5.78 C ATOM 665 CG GLN A 358 -2.348 25.543 24.036 1.00 8.58 C ATOM 666 CD GLN A 358 -2.815 26.929 23.663 1.00 12.57 C ATOM 667 OE1 GLN A 358 -3.478 27.118 22.646 1.00 16.63 O ATOM 668 NE2 GLN A 358 -2.477 27.910 24.488 1.00 11.23 N ATOM 669 HE22 GLN A 358 -1.914 27.704 25.338 1.00 0.00 H ATOM 670 HE21 GLN A 358 -2.774 28.886 24.285 1.00 0.00 H ATOM 671 H GLN A 358 -0.565 23.524 22.217 1.00 0.00 H ATOM 672 N GLN A 359 -2.916 21.510 21.594 1.00 3.71 N ATOM 673 CA GLN A 359 -3.863 20.662 20.872 1.00 4.30 C ATOM 674 C GLN A 359 -4.058 19.320 21.572 1.00 4.33 C ATOM 675 O GLN A 359 -3.119 18.759 22.135 1.00 5.40 O ATOM 676 CB GLN A 359 -3.422 20.467 19.424 1.00 4.51 C ATOM 677 CG GLN A 359 -3.043 21.756 18.715 1.00 5.57 C ATOM 678 CD GLN A 359 -4.130 22.812 18.792 1.00 5.63 C ATOM 679 OE1 GLN A 359 -5.303 22.541 18.517 1.00 6.80 O ATOM 680 NE2 GLN A 359 -3.751 24.025 19.164 1.00 6.50 N ATOM 681 HE22 GLN A 359 -2.753 24.212 19.387 1.00 0.00 H ATOM 682 HE21 GLN A 359 -4.452 24.790 19.233 1.00 0.00 H ATOM 683 H GLN A 359 -1.955 21.659 21.227 1.00 0.00 H ATOM 684 N ARG A 360 -5.297 18.835 21.579 1.00 4.65 N ATOM 685 CA ARG A 360 -5.646 17.584 22.255 1.00 4.73 C ATOM 686 C ARG A 360 -6.425 16.649 21.353 1.00 4.79 C ATOM 687 O ARG A 360 -7.156 17.086 20.466 1.00 6.34 O ATOM 688 CB ARG A 360 -6.493 17.854 23.506 1.00 8.73 C ATOM 689 CG ARG A 360 -5.829 18.725 24.572 1.00 10.97 C ATOM 690 CD ARG A 360 -6.832 19.122 25.665 1.00 14.59 C ATOM 691 NE ARG A 360 -7.375 17.959 26.365 1.00 13.96 N ATOM 692 CZ ARG A 360 -8.559 17.936 26.972 1.00 27.33 C ATOM 693 NH1 ARG A 360 -9.330 19.016 26.962 1.00 31.44 N ATOM 694 NH2 ARG A 360 -8.978 16.834 27.581 1.00 23.31 N ATOM 695 HE ARG A 360 -6.799 17.094 26.390 1.00 0.00 H ATOM 696 HH12 ARG A 360 -10.255 18.999 27.436 1.00 0.00 H ATOM 697 HH11 ARG A 360 -9.009 19.880 26.480 1.00 0.00 H ATOM 698 HH22 ARG A 360 -9.904 16.821 28.054 1.00 0.00 H ATOM 699 HH21 ARG A 360 -8.380 15.983 27.585 1.00 0.00 H ATOM 700 H ARG A 360 -6.045 19.364 21.086 1.00 0.00 H ATOM 701 N GLY A 361 -6.286 15.354 21.607 1.00 4.50 N ATOM 702 CA GLY A 361 -7.171 14.365 21.023 1.00 5.50 C ATOM 703 C GLY A 361 -6.873 14.063 19.570 1.00 5.47 C ATOM 704 O GLY A 361 -5.789 13.592 19.236 1.00 5.88 O ATOM 705 H GLY A 361 -5.523 15.041 22.241 1.00 0.00 H ATOM 706 N GLU A 362 -7.844 14.331 18.710 1.00 5.16 N ATOM 707 CA GLU A 362 -7.712 14.108 17.276 1.00 5.44 C ATOM 708 C GLU A 362 -7.238 15.395 16.653 1.00 5.99 C ATOM 709 O GLU A 362 -7.971 16.379 16.607 1.00 7.18 O ATOM 710 CB GLU A 362 -9.048 13.672 16.669 1.00 5.23 C ATOM 711 CG GLU A 362 -9.566 12.372 17.248 1.00 6.43 C ATOM 712 CD GLU A 362 -10.881 11.956 16.652 1.00 8.47 C ATOM 713 OE1 GLU A 362 -11.205 10.762 16.724 1.00 8.71 O ATOM 714 OE2 GLU A 362 -11.591 12.819 16.100 1.00 9.23 O ATOM 715 H GLU A 362 -8.739 14.717 19.074 1.00 0.00 H ATOM 716 N ILE A 363 -6.004 15.393 16.182 1.00 4.59 N ATOM 717 CA ILE A 363 -5.338 16.619 15.771 1.00 5.27 C ATOM 718 C ILE A 363 -4.966 16.556 14.291 1.00 4.64 C ATOM 719 O ILE A 363 -4.279 15.623 13.854 1.00 5.78 O ATOM 720 CB ILE A 363 -4.075 16.834 16.610 1.00 4.59 C ATOM 721 CG1 ILE A 363 -4.435 16.890 18.104 1.00 5.80 C ATOM 722 CG2 ILE A 363 -3.356 18.103 16.183 1.00 6.42 C ATOM 723 CD1 ILE A 363 -3.250 16.758 19.039 1.00 6.61 C ATOM 724 H ILE A 363 -5.494 14.490 16.103 1.00 0.00 H ATOM 725 N GLU A 364 -5.418 17.545 13.531 1.00 5.63 N ATOM 726 CA GLU A 364 -5.099 17.601 12.117 1.00 5.13 C ATOM 727 C GLU A 364 -3.837 18.412 11.898 1.00 3.84 C ATOM 728 O GLU A 364 -3.650 19.477 12.494 1.00 5.23 O ATOM 729 CB GLU A 364 -6.255 18.209 11.321 1.00 6.58 C ATOM 730 CG GLU A 364 -6.031 18.185 9.816 1.00 13.15 C ATOM 731 CD GLU A 364 -7.318 18.342 9.026 1.00 21.22 C ATOM 732 OE1 GLU A 364 -8.297 18.889 9.576 1.00 26.64 O ATOM 733 OE2 GLU A 364 -7.352 17.907 7.857 1.00 25.23 O ATOM 734 H GLU A 364 -6.008 18.289 13.954 1.00 0.00 H ATOM 735 N PHE A 365 -2.968 17.902 11.042 1.00 5.93 N ATOM 736 CA PHE A 365 -1.775 18.625 10.633 1.00 5.71 C ATOM 737 C PHE A 365 -1.814 18.861 9.139 1.00 6.35 C ATOM 738 O PHE A 365 -2.282 18.016 8.378 1.00 8.09 O ATOM 739 CB PHE A 365 -0.527 17.801 10.954 1.00 5.94 C ATOM 740 CG PHE A 365 -0.154 17.805 12.407 1.00 4.82 C ATOM 741 CD1 PHE A 365 -0.773 16.962 13.304 1.00 5.98 C ATOM 742 CD2 PHE A 365 0.834 18.656 12.871 1.00 8.74 C ATOM 743 CE1 PHE A 365 -0.432 16.982 14.648 1.00 6.28 C ATOM 744 CE2 PHE A 365 1.181 18.674 14.212 1.00 9.27 C ATOM 745 CZ PHE A 365 0.546 17.835 15.101 1.00 7.33 C ATOM 746 H PHE A 365 -3.143 16.955 10.649 1.00 0.00 H ATOM 747 N GLU A 366 -1.317 20.013 8.715 1.00 5.48 N ATOM 748 CA GLU A 366 -1.024 20.248 7.310 1.00 5.55 C ATOM 749 C GLU A 366 0.492 20.371 7.199 1.00 4.63 C ATOM 750 O GLU A 366 1.092 21.227 7.852 1.00 5.92 O ATOM 751 CB GLU A 366 -1.705 21.530 6.849 1.00 9.42 C ATOM 752 CG GLU A 366 -1.542 21.849 5.388 1.00 13.46 C ATOM 753 CD GLU A 366 -2.485 22.961 4.936 1.00 23.35 C ATOM 754 OE1 GLU A 366 -3.319 23.403 5.753 1.00 27.29 O ATOM 755 OE2 GLU A 366 -2.386 23.388 3.770 1.00 23.89 O ATOM 756 H GLU A 366 -1.131 20.769 9.405 1.00 0.00 H ATOM 757 N VAL A 367 1.113 19.505 6.401 1.00 5.54 N ATOM 758 CA VAL A 367 2.564 19.434 6.359 1.00 3.68 C ATOM 759 C VAL A 367 3.065 19.305 4.932 1.00 5.79 C ATOM 760 O VAL A 367 2.312 18.942 4.013 1.00 7.14 O ATOM 761 CB VAL A 367 3.097 18.234 7.179 1.00 4.72 C ATOM 762 CG1 VAL A 367 2.774 18.395 8.655 1.00 5.83 C ATOM 763 CG2 VAL A 367 2.507 16.934 6.654 1.00 8.36 C ATOM 764 H VAL A 367 0.551 18.870 5.799 1.00 0.00 H ATOM 765 N VAL A 368 4.350 19.568 4.752 1.00 5.24 N ATOM 766 CA VAL A 368 4.961 19.401 3.451 1.00 6.72 C ATOM 767 C VAL A 368 6.430 19.076 3.632 1.00 4.92 C ATOM 768 O VAL A 368 7.115 19.690 4.443 1.00 6.65 O ATOM 769 CB VAL A 368 4.773 20.651 2.552 1.00 5.99 C ATOM 770 CG1 VAL A 368 5.485 21.872 3.120 1.00 6.97 C ATOM 771 CG2 VAL A 368 5.274 20.368 1.149 1.00 7.90 C ATOM 772 H VAL A 368 4.926 19.898 5.553 1.00 0.00 H ATOM 773 N TYR A 369 6.905 18.095 2.877 1.00 6.19 N ATOM 774 CA TYR A 369 8.310 17.767 2.885 1.00 8.97 C ATOM 775 C TYR A 369 8.976 18.471 1.724 1.00 14.02 C ATOM 776 O TYR A 369 8.612 18.243 0.570 1.00 13.72 O ATOM 777 CB TYR A 369 8.501 16.266 2.717 1.00 9.97 C ATOM 778 CG TYR A 369 9.946 15.845 2.791 1.00 11.21 C ATOM 779 CD1 TYR A 369 10.744 15.818 1.651 1.00 13.84 C ATOM 780 CD2 TYR A 369 10.516 15.476 3.997 1.00 11.52 C ATOM 781 CE1 TYR A 369 12.064 15.432 1.716 1.00 15.44 C ATOM 782 CE2 TYR A 369 11.837 15.091 4.072 1.00 12.69 C ATOM 783 CZ TYR A 369 12.605 15.069 2.929 1.00 15.93 C ATOM 784 OH TYR A 369 13.925 14.682 3.006 1.00 22.23 O ATOM 785 HH TYR A 369 13.977 13.756 3.353 1.00 0.00 H ATOM 786 H TYR A 369 6.256 17.554 2.271 1.00 0.00 H ATOM 787 N VAL A 370 9.963 19.305 2.028 1.00 15.82 N ATOM 788 CA VAL A 370 10.730 19.991 0.994 1.00 22.81 C ATOM 789 C VAL A 370 12.153 19.445 0.926 1.00 22.62 C ATOM 790 O VAL A 370 12.768 19.162 1.957 1.00 19.17 O ATOM 791 CB VAL A 370 10.788 21.510 1.242 1.00 24.99 C ATOM 792 CG1 VAL A 370 11.664 22.184 0.193 1.00 30.07 C ATOM 793 CG2 VAL A 370 9.385 22.110 1.247 1.00 23.81 C ATOM 794 H VAL A 370 10.195 19.473 3.028 1.00 0.00 H TER 795 VAL A 370 HETATM 796 O HOH 1 6.198 10.129 17.848 1.00 3.92 O HETATM 797 O HOH 2 -0.341 18.576 21.680 1.00 4.96 O HETATM 798 O HOH 3 4.645 9.193 11.312 1.00 5.99 O HETATM 799 O HOH 4 -1.419 8.974 16.405 1.00 6.90 O HETATM 800 O HOH 5 4.671 11.475 24.755 1.00 8.13 O HETATM 801 O HOH 6 0.748 24.915 25.221 1.00 5.89 O HETATM 802 O HOH 7 5.242 16.539 1.206 1.00 8.38 O HETATM 803 O HOH 8 6.107 28.790 24.284 1.00 9.36 O HETATM 804 O HOH 9 13.686 11.039 14.392 1.00 9.50 O HETATM 805 O HOH 10 -10.494 9.013 18.581 1.00 8.01 O HETATM 806 O HOH 11 5.938 26.563 9.637 1.00 9.05 O HETATM 807 O HOH 12 10.476 31.966 19.760 1.00 8.34 O HETATM 808 O HOH 13 -7.800 18.490 18.221 1.00 9.89 O HETATM 809 O HOH 14 -4.772 14.571 24.012 1.00 9.50 O HETATM 810 O HOH 15 -13.729 9.919 16.665 1.00 12.15 O HETATM 811 O HOH 16 -2.388 7.114 19.214 1.00 11.63 O HETATM 812 O HOH 17 10.980 10.349 10.115 1.00 9.28 O HETATM 813 O HOH 18 3.200 24.859 26.413 1.00 10.75 O HETATM 814 O HOH 19 11.084 7.843 14.087 1.00 10.44 O HETATM 815 O HOH 20 7.022 29.636 11.271 1.00 11.64 O HETATM 816 O HOH 21 8.870 30.720 9.551 1.00 13.43 O HETATM 817 O HOH 22 8.909 7.302 12.423 1.00 12.27 O HETATM 818 O HOH 23 9.297 3.528 15.272 1.00 13.24 O HETATM 819 O HOH 24 -4.583 22.050 9.965 1.00 14.66 O HETATM 820 O HOH 25 4.943 5.691 8.691 1.00 12.44 O HETATM 821 O HOH 26 -4.157 6.083 20.834 1.00 14.95 O HETATM 822 O HOH 27 7.550 13.359 4.571 1.00 11.15 O HETATM 823 O HOH 28 3.235 27.415 26.411 1.00 11.67 O HETATM 824 O HOH 29 11.885 11.935 6.195 1.00 13.12 O HETATM 825 O HOH 30 -3.413 14.798 2.142 1.00 18.02 O HETATM 826 O HOH 31 8.808 8.647 10.136 1.00 14.68 O HETATM 827 O HOH 32 1.635 11.945 4.876 1.00 15.35 O HETATM 828 O HOH 33 -10.303 15.707 19.487 1.00 16.45 O HETATM 829 O HOH 34 9.921 11.743 4.324 1.00 17.36 O HETATM 830 O HOH 35 5.867 12.408 2.579 1.00 17.12 O HETATM 831 O HOH 36 13.899 10.055 16.901 1.00 17.09 O HETATM 832 O HOH 37 9.776 20.646 4.525 1.00 17.25 O HETATM 833 O HOH 38 5.884 13.975 0.212 1.00 16.14 O HETATM 834 O HOH 39 12.974 19.169 4.761 1.00 26.69 O HETATM 835 O HOH 40 4.922 3.506 16.403 1.00 23.75 O HETATM 836 O HOH 41 -2.604 19.655 25.430 1.00 20.91 O HETATM 837 O HOH 42 7.763 5.234 23.108 1.00 20.79 O HETATM 838 O HOH 43 -11.541 14.988 14.447 1.00 25.44 O HETATM 839 O HOH 44 -1.120 15.381 -0.706 1.00 28.40 O HETATM 840 O HOH 45 16.858 16.120 12.099 1.00 26.24 O HETATM 841 O HOH 46 -8.316 14.224 24.455 1.00 31.60 O HETATM 842 O HOH 47 -10.079 16.188 23.662 1.00 30.03 O HETATM 843 O HOH 48 16.865 11.619 20.077 1.00 26.09 O HETATM 844 O HOH 49 3.668 12.270 -0.830 1.00 25.79 O HETATM 845 O HOH 50 14.285 12.423 4.805 1.00 36.58 O HETATM 846 O HOH 51 -8.186 27.926 9.151 1.00 36.23 O HETATM 847 O HOH 52 -8.590 24.953 16.241 1.00 30.03 O HETATM 848 O HOH 53 3.509 10.791 3.272 1.00 26.61 O HETATM 849 O HOH 54 15.652 9.514 18.807 1.00 30.93 O HETATM 850 O HOH 55 12.991 36.234 9.724 1.00 34.70 O HETATM 851 O HOH 56 15.296 36.103 9.047 1.00 31.88 O HETATM 852 O HOH 57 -0.896 27.015 6.400 1.00 29.71 O HETATM 853 O HOH 58 -9.336 20.401 18.662 1.00 40.04 O HETATM 854 O HOH 59 12.860 34.755 19.338 1.00 37.72 O HETATM 855 O HOH 60 15.362 13.940 21.758 1.00 32.88 O HETATM 856 O HOH 61 10.285 11.566 1.684 1.00 41.72 O HETATM 857 O HOH 62 15.487 16.801 7.772 1.00 32.13 O HETATM 858 O HOH 63 1.821 5.934 26.968 1.00 14.59 O HETATM 859 O HOH 64 1.625 31.957 10.939 1.00 15.05 O HETATM 860 O HOH 65 -5.331 29.317 22.426 1.00 20.88 O HETATM 861 O HOH 66 10.554 23.339 4.378 1.00 28.75 O HETATM 862 O HOH 67 -9.594 19.403 13.676 1.00 32.00 O HETATM 863 O HOH 68 -5.001 26.681 19.798 1.00 33.96 O HETATM 864 O HOH 69 -3.620 31.155 16.904 1.00 28.74 O HETATM 865 O HOH 70 11.522 6.090 24.434 1.00 33.02 O HETATM 866 O HOH 71 9.053 32.547 7.592 1.00 36.68 O HETATM 867 O HOH 72 7.651 2.599 22.882 1.00 35.69 O HETATM 868 O HOH 73 -1.224 11.850 4.305 1.00 37.51 O HETATM 869 O HOH 74 -7.512 20.568 20.828 1.00 13.97 O HETATM 870 O HOH 75 6.118 35.969 14.043 1.00 20.99 O HETATM 871 O HOH 76 14.097 33.234 5.209 1.00 24.24 O HETATM 872 O HOH 77 -2.711 33.205 18.440 1.00 25.77 O HETATM 873 O HOH 78 -9.898 18.242 21.123 1.00 35.32 O HETATM 874 O HOH 79 -9.851 20.985 15.576 1.00 36.62 O HETATM 875 O HOH 80 8.869 11.888 -0.924 1.00 40.92 O HETATM 876 O HOH 81 13.641 22.275 4.839 1.00 35.52 O HETATM 877 O HOH 82 -2.349 16.951 26.673 1.00 16.27 O HETATM 878 O HOH 83 -7.482 6.839 20.915 1.00 13.64 O HETATM 879 O HOH 84 -8.635 13.860 9.327 1.00 21.02 O HETATM 880 O HOH 85 -6.846 14.618 7.809 1.00 36.46 O HETATM 881 O HOH 86 -3.722 29.176 18.995 1.00 29.52 O HETATM 882 O HOH 87 -5.568 30.770 20.388 1.00 32.32 O HETATM 883 O HOH 88 7.725 14.228 -1.799 1.00 29.13 O HETATM 884 O HOH 89 15.014 17.067 5.323 1.00 33.18 O HETATM 885 O HOH 90 6.526 28.174 7.410 1.00 37.98 O HETATM 886 O HOH 91 -10.555 15.039 11.881 1.00 39.33 O HETATM 887 O HOH 92 10.479 4.362 26.596 1.00 36.24 O HETATM 888 O HOH 93 12.558 20.834 24.887 1.00 4.00 O HETATM 889 O HOH 94 10.434 26.263 23.506 1.00 5.69 O HETATM 890 O HOH 95 3.718 19.036 24.114 1.00 4.55 O HETATM 891 O HOH 96 8.277 14.190 22.138 1.00 12.17 O HETATM 892 O HOH 97 22.025 24.324 15.463 1.00 37.66 O HETATM 893 O HOH 98 16.787 22.336 23.197 1.00 26.29 O HETATM 894 O HOH 99 15.628 19.978 23.806 1.00 35.38 O HETATM 895 O HOH 100 20.060 29.416 16.540 1.00 33.61 O HETATM 896 N TRP A 101 19.869 26.811 15.417 1.00 0.24 N HETATM 897 CA TRP A 101 18.441 26.940 15.681 1.00 0.07 C HETATM 898 C TRP A 101 18.043 26.251 16.978 1.00 0.23 C HETATM 899 O TRP A 101 18.707 25.313 17.421 1.00 -0.39 O HETATM 900 N TRP A 101 16.946 26.716 17.586 1.00 -0.25 N HETATM 901 CA TRP A 101 16.391 26.094 18.787 1.00 0.13 C HETATM 902 C TRP A 101 15.698 24.778 18.448 1.00 0.20 C HETATM 903 O TRP A 101 15.178 24.616 17.345 1.00 -0.39 O HETATM 904 N TRP A 101 15.712 23.854 19.397 1.00 -0.26 N HETATM 905 CA TRP A 101 15.030 22.581 19.262 1.00 0.13 C HETATM 906 CB TRP A 101 16.063 21.459 19.236 1.00 -0.01 C HETATM 907 CG TRP A 101 15.496 20.057 19.293 1.00 -0.05 C HETATM 908 CD TRP A 101 16.611 19.057 19.563 1.00 -0.03 C HETATM 909 CE TRP A 101 16.245 17.675 19.059 1.00 0.03 C HETATM 910 NZ TRP A 101 17.352 17.073 18.263 1.00 -0.29 N HETATM 911 CH TRP A 101 17.491 17.400 16.844 1.00 0.17 C HETATM 912 OH TRP A 101 18.158 16.662 16.119 1.00 -0.40 O HETATM 913 CH3 TRP A 101 17.067 18.783 16.324 1.00 0.03 C HETATM 914 H TRP A 101 16.482 19.302 17.098 1.00 0.05 H HETATM 915 H TRP A 101 16.453 18.662 15.419 1.00 0.05 H HETATM 916 H TRP A 101 17.962 19.375 16.083 1.00 0.05 H HETATM 917 H TRP A 101 17.999 16.447 18.698 1.00 0.18 H HETATM 918 H TRP A 101 16.030 17.026 19.921 1.00 0.05 H HETATM 919 H TRP A 101 15.349 17.751 18.425 1.00 0.05 H HETATM 920 H TRP A 101 17.526 19.394 19.053 1.00 0.03 H HETATM 921 H TRP A 101 16.793 19.007 20.647 1.00 0.03 H HETATM 922 H TRP A 101 14.750 19.998 20.099 1.00 0.03 H HETATM 923 H TRP A 101 15.017 19.818 18.332 1.00 0.03 H HETATM 924 H TRP A 101 16.644 21.553 18.307 1.00 0.03 H HETATM 925 H TRP A 101 16.730 21.591 20.101 1.00 0.03 H HETATM 926 C TRP A 101 14.137 22.444 20.478 1.00 0.20 C HETATM 927 O TRP A 101 14.580 22.694 21.600 1.00 -0.39 O HETATM 928 N TRP A 101 12.876 22.074 20.266 1.00 -0.26 N HETATM 929 CA TRP A 101 11.971 21.810 21.373 1.00 0.15 C HETATM 930 C TRP A 101 11.360 20.426 21.205 1.00 0.21 C HETATM 931 O TRP A 101 10.907 20.066 20.114 1.00 -0.39 O HETATM 932 N TRP A 101 11.351 19.665 22.298 1.00 -0.26 N HETATM 933 CA TRP A 101 10.717 18.361 22.348 1.00 0.13 C HETATM 934 C TRP A 101 9.290 18.583 22.813 1.00 0.20 C HETATM 935 O TRP A 101 9.063 19.175 23.877 1.00 -0.39 O HETATM 936 N TRP A 101 8.325 18.115 22.021 1.00 -0.27 N HETATM 937 CA TRP A 101 6.914 18.402 22.280 1.00 0.10 C HETATM 938 C TRP A 101 6.003 17.207 22.028 1.00 0.06 C HETATM 939 O TRP A 101 6.441 16.164 21.506 1.00 -0.57 O HETATM 940 OXT TRP A 101 4.817 17.299 22.351 1.00 -0.57 O HETATM 941 CB TRP A 101 6.395 19.604 21.441 1.00 -0.01 C HETATM 942 CG1 TRP A 101 6.439 19.284 19.945 1.00 -0.05 C HETATM 943 CD1 TRP A 101 5.832 20.384 19.065 1.00 -0.06 C HETATM 944 H TRP A 101 5.898 20.086 18.008 1.00 0.02 H HETATM 945 H TRP A 101 6.386 21.322 19.217 1.00 0.02 H HETATM 946 H TRP A 101 4.777 20.532 19.339 1.00 0.02 H HETATM 947 H TRP A 101 5.881 18.352 19.772 1.00 0.03 H HETATM 948 H TRP A 101 7.489 19.142 19.650 1.00 0.03 H HETATM 949 CG2 TRP A 101 7.181 20.880 21.752 1.00 -0.06 C HETATM 950 H TRP A 101 7.133 21.086 22.831 1.00 0.02 H HETATM 951 H TRP A 101 6.744 21.724 21.198 1.00 0.02 H HETATM 952 H TRP A 101 8.230 20.747 21.450 1.00 0.02 H HETATM 953 H TRP A 101 5.345 19.780 21.718 1.00 0.03 H HETATM 954 H TRP A 101 6.830 18.670 23.344 1.00 0.07 H HETATM 955 H TRP A 101 8.572 17.554 21.231 1.00 0.19 H HETATM 956 CB TRP A 101 11.436 17.469 23.372 1.00 -0.00 C HETATM 957 CG1 TRP A 101 12.921 17.320 23.020 1.00 -0.05 C HETATM 958 CD1 TRP A 101 13.768 16.780 24.173 1.00 -0.06 C HETATM 959 H TRP A 101 14.817 16.699 23.851 1.00 0.02 H HETATM 960 H TRP A 101 13.397 15.787 24.467 1.00 0.02 H HETATM 961 H TRP A 101 13.699 17.465 25.031 1.00 0.02 H HETATM 962 H TRP A 101 13.312 18.307 22.733 1.00 0.03 H HETATM 963 H TRP A 101 13.010 16.629 22.169 1.00 0.03 H HETATM 964 CG2 TRP A 101 10.752 16.120 23.462 1.00 -0.06 C HETATM 965 H TRP A 101 9.691 16.263 23.715 1.00 0.02 H HETATM 966 H TRP A 101 11.237 15.514 24.242 1.00 0.02 H HETATM 967 H TRP A 101 10.831 15.603 22.494 1.00 0.02 H HETATM 968 H TRP A 101 11.368 17.953 24.357 1.00 0.03 H HETATM 969 H TRP A 101 10.734 17.887 21.356 1.00 0.08 H HETATM 970 H TRP A 101 11.802 20.008 23.122 1.00 0.19 H HETATM 971 CB TRP A 101 10.855 22.854 21.447 1.00 0.08 C HETATM 972 OG TRP A 101 11.351 24.144 21.768 1.00 -0.39 O HETATM 973 H TRP A 101 11.970 24.419 21.102 1.00 0.21 H HETATM 974 H TRP A 101 10.134 22.549 22.220 1.00 0.06 H HETATM 975 H TRP A 101 10.348 22.901 20.472 1.00 0.06 H HETATM 976 H TRP A 101 12.544 21.840 22.312 1.00 0.08 H HETATM 977 H TRP A 101 12.545 21.976 19.328 1.00 0.19 H HETATM 978 H TRP A 101 14.430 22.558 18.340 1.00 0.08 H HETATM 979 H TRP A 101 16.213 24.042 20.241 1.00 0.19 H HETATM 980 CB TRP A 101 15.371 27.125 19.271 1.00 -0.01 C HETATM 981 CG TRP A 101 14.951 27.837 18.041 1.00 -0.03 C HETATM 982 CD TRP A 101 16.182 27.909 17.180 1.00 0.04 C HETATM 983 H TRP A 101 15.920 27.865 16.113 1.00 0.05 H HETATM 984 H TRP A 101 16.751 28.829 17.381 1.00 0.05 H HETATM 985 H TRP A 101 14.593 28.848 18.285 1.00 0.03 H HETATM 986 H TRP A 101 14.154 27.280 17.527 1.00 0.03 H HETATM 987 H TRP A 101 15.832 27.823 19.986 1.00 0.03 H HETATM 988 H TRP A 101 14.512 26.629 19.746 1.00 0.03 H HETATM 989 H TRP A 101 17.172 25.919 19.542 1.00 0.08 H HETATM 990 CB TRP A 101 17.623 26.336 14.544 1.00 0.02 C HETATM 991 CG TRP A 101 17.858 26.962 13.216 1.00 -0.04 C HETATM 992 CD1 TRP A 101 18.341 28.215 12.966 1.00 0.02 C HETATM 993 NE1 TRP A 101 18.422 28.426 11.609 1.00 -0.29 N HETATM 994 CE2 TRP A 101 17.989 27.300 10.958 1.00 0.06 C HETATM 995 CD2 TRP A 101 17.626 26.357 11.941 1.00 -0.02 C HETATM 996 CE3 TRP A 101 17.146 25.107 11.534 1.00 -0.07 C HETATM 997 CZ3 TRP A 101 17.044 24.842 10.181 1.00 -0.08 C HETATM 998 CH2 TRP A 101 17.412 25.801 9.226 1.00 -0.08 C HETATM 999 CZ2 TRP A 101 17.885 27.033 9.594 1.00 -0.04 C HETATM 1000 H TRP A 101 18.168 27.772 8.853 1.00 0.05 H HETATM 1001 H TRP A 101 17.320 25.562 8.173 1.00 0.05 H HETATM 1002 H TRP A 101 16.674 23.878 9.853 1.00 0.05 H HETATM 1003 H TRP A 101 16.860 24.360 12.266 1.00 0.05 H HETATM 1004 H TRP A 101 18.754 29.289 11.156 1.00 0.22 H HETATM 1005 H TRP A 101 18.621 28.940 13.729 1.00 0.08 H HETATM 1006 H TRP A 101 16.557 26.445 14.792 1.00 0.04 H HETATM 1007 H TRP A 101 17.874 25.268 14.470 1.00 0.04 H HETATM 1008 H TRP A 101 18.201 28.011 15.762 1.00 0.11 H HETATM 1009 H TRP A 101 20.094 27.278 14.553 1.00 0.20 H HETATM 1010 H TRP A 101 20.110 25.835 15.344 1.00 0.20 H HETATM 1011 H TRP A 101 20.389 27.231 16.171 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 896 897 1009 1010 1011 CONECT 897 896 898 990 1008 CONECT 898 897 899 900 CONECT 899 898 CONECT 900 898 901 982 CONECT 901 900 902 980 989 CONECT 902 901 903 904 CONECT 903 902 CONECT 904 902 905 979 CONECT 905 904 906 926 978 CONECT 906 905 907 924 925 CONECT 907 906 908 922 923 CONECT 908 907 909 920 921 CONECT 909 908 910 918 919 CONECT 910 909 911 917 CONECT 911 910 912 913 CONECT 912 911 CONECT 913 911 914 915 916 CONECT 914 913 CONECT 915 913 CONECT 916 913 CONECT 917 910 CONECT 918 909 CONECT 919 909 CONECT 920 908 CONECT 921 908 CONECT 922 907 CONECT 923 907 CONECT 924 906 CONECT 925 906 CONECT 926 905 927 928 CONECT 927 926 CONECT 928 926 929 977 CONECT 929 928 930 971 976 CONECT 930 929 931 932 CONECT 931 930 CONECT 932 930 933 970 CONECT 933 932 934 956 969 CONECT 934 933 935 936 CONECT 935 934 CONECT 936 934 937 955 CONECT 937 936 938 941 954 CONECT 938 937 939 940 CONECT 939 938 CONECT 940 938 CONECT 941 937 942 949 953 CONECT 942 941 943 947 948 CONECT 943 942 944 945 946 CONECT 944 943 CONECT 945 943 CONECT 946 943 CONECT 947 942 CONECT 948 942 CONECT 949 941 950 951 952 CONECT 950 949 CONECT 951 949 CONECT 952 949 CONECT 953 941 CONECT 954 937 CONECT 955 936 CONECT 956 933 957 964 968 CONECT 957 956 958 962 963 CONECT 958 957 959 960 961 CONECT 959 958 CONECT 960 958 CONECT 961 958 CONECT 962 957 CONECT 963 957 CONECT 964 956 965 966 967 CONECT 965 964 CONECT 966 964 CONECT 967 964 CONECT 968 956 CONECT 969 933 CONECT 970 932 CONECT 971 929 972 974 975 CONECT 972 971 973 CONECT 973 972 CONECT 974 971 CONECT 975 971 CONECT 976 929 CONECT 977 928 CONECT 978 905 CONECT 979 904 CONECT 980 901 981 987 988 CONECT 981 980 982 985 986 CONECT 982 900 981 983 984 CONECT 983 982 CONECT 984 982 CONECT 985 981 CONECT 986 981 CONECT 987 980 CONECT 988 980 CONECT 989 901 CONECT 990 897 991 1006 1007 CONECT 991 990 992 995 CONECT 992 991 993 1005 CONECT 993 992 994 1004 CONECT 994 993 995 999 CONECT 995 991 994 996 CONECT 996 995 997 1003 CONECT 997 996 998 1002 CONECT 998 997 999 1001 CONECT 999 994 998 1000 CONECT 1000 999 CONECT 1001 998 CONECT 1002 997 CONECT 1003 996 CONECT 1004 993 CONECT 1005 992 CONECT 1006 990 CONECT 1007 990 CONECT 1008 897 CONECT 1009 896 CONECT 1010 896 CONECT 1011 896 MASTER 0 0 0 0 0 0 0 0 1010 1 120 7 END
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Related entries of code: 4nmp
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%
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%
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
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
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
4nmp
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
1.3(Å)
Affinity (Kd/Ki/IC50)
Kd=91.9uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Plos One Vol. 9. e103650: pp.1-9
Ligand Properties
Formula
C
3
9
H
6
1
N
8
O
9
Molecular Weight
785.950
Exact Mass
785.456
No. of atoms
117
No. of bonds
119
Polar Surface Area
266.77
LOGP Value
0.25 (
Computed with XLOGP3
)
1.62 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 28
No. of Nitrogen and Oxygen Atoms: 17
No. of Rings: 3
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2c1cccc2)[NH3+])CCCCNC(=O)C
InChI String
InChI=1S/C39H60N8O9/c1-6-22(3)32(37(53)46-33(39(55)56)23(4)7-2)45-35(51)30(21-48)44-34(50)29(15-10-11-17-41-24(5)49)43-36(52)31-16-12-18-47(31)38(54)27(40)19-25-20-42-28-14-9-8-13-26(25)28/h8-9,13-14,20,22-23,27,29-33,42,48H,6-7,10-12,15-19,21,40H2,1-5H3,(H,41,49)(H,43,52)(H,44,50)(H,45,51)(H,46,53)(H,55,56)/p+1/t22-,23-,27-,29-,30-,31-,32-,33-/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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