Browse entries in the PDBbind-CN Database
HEADER 4JOG_COMPLEX COMPND 4JOG_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 SER A 181 131 ATOM 1 N GLY A 284 28.830 18.884 99.695 1.00 13.93 N ATOM 2 CA GLY A 284 29.849 17.910 100.044 1.00 13.89 C ATOM 3 C GLY A 284 31.259 18.457 99.907 1.00 9.95 C ATOM 4 O GLY A 284 31.448 19.659 99.697 1.00 10.79 O ATOM 5 HN3 GLY A 284 28.961 19.182 98.707 1.00 0.00 H ATOM 6 HN2 GLY A 284 28.913 19.710 100.321 1.00 0.00 H ATOM 7 HN1 GLY A 284 27.889 18.455 99.807 1.00 0.00 H ATOM 8 N PRO A 285 32.263 17.575 99.999 1.00 10.51 N ATOM 9 CA PRO A 285 33.645 18.054 99.908 1.00 9.92 C ATOM 10 C PRO A 285 34.024 18.407 98.474 1.00 11.82 C ATOM 11 O PRO A 285 33.511 17.797 97.540 1.00 11.52 O ATOM 12 CB PRO A 285 34.460 16.847 100.385 1.00 15.48 C ATOM 13 CG PRO A 285 33.608 15.661 100.032 1.00 14.67 C ATOM 14 CD PRO A 285 32.182 16.115 100.204 1.00 12.52 C ATOM 15 N ILE A 286 34.903 19.386 98.306 1.00 9.97 N ATOM 16 CA ILE A 286 35.435 19.672 96.981 1.00 9.30 C ATOM 17 C ILE A 286 36.367 18.529 96.589 1.00 12.18 C ATOM 18 O ILE A 286 37.210 18.099 97.390 1.00 15.10 O ATOM 19 CB ILE A 286 36.173 21.022 96.947 1.00 12.27 C ATOM 20 CG1 ILE A 286 35.179 22.162 97.209 1.00 12.74 C ATOM 21 CG2 ILE A 286 36.870 21.198 95.605 1.00 11.98 C ATOM 22 CD1 ILE A 286 35.805 23.533 97.400 1.00 16.24 C ATOM 23 H ILE A 286 35.213 19.951 99.122 1.00 0.00 H ATOM 24 N ARG A 287 36.205 18.028 95.366 1.00 10.10 N ATOM 25 CA ARG A 287 36.972 16.877 94.885 1.00 9.92 C ATOM 26 C ARG A 287 37.766 17.228 93.623 1.00 8.75 C ATOM 27 O ARG A 287 37.327 18.043 92.817 1.00 10.33 O ATOM 28 CB ARG A 287 36.022 15.710 94.571 1.00 13.58 C ATOM 29 CG ARG A 287 34.768 15.732 95.455 1.00 20.63 C ATOM 30 CD ARG A 287 33.915 14.488 95.375 1.00 19.97 C ATOM 31 NE ARG A 287 33.572 14.084 94.010 1.00 11.31 N ATOM 32 CZ ARG A 287 32.531 14.544 93.315 1.00 10.88 C ATOM 33 NH1 ARG A 287 31.702 15.461 93.811 1.00 11.95 N ATOM 34 NH2 ARG A 287 32.325 14.082 92.095 1.00 10.12 N ATOM 35 HE ARG A 287 34.187 13.385 93.547 1.00 0.00 H ATOM 36 HH12 ARG A 287 30.899 15.798 93.242 1.00 0.00 H ATOM 37 HH11 ARG A 287 31.857 15.840 94.767 1.00 0.00 H ATOM 38 HH22 ARG A 287 31.519 14.428 91.537 1.00 0.00 H ATOM 39 HH21 ARG A 287 32.969 13.372 91.692 1.00 0.00 H ATOM 40 H ARG A 287 35.510 18.469 94.731 1.00 0.00 H ATOM 41 N LYS A 288 38.929 16.603 93.462 1.00 9.30 N ATOM 42 CA LYS A 288 39.673 16.674 92.206 1.00 12.83 C ATOM 43 C LYS A 288 39.549 15.339 91.484 1.00 10.47 C ATOM 44 O LYS A 288 39.746 14.278 92.078 1.00 12.32 O ATOM 45 CB LYS A 288 41.138 17.031 92.445 1.00 17.05 C ATOM 46 CG LYS A 288 41.330 18.441 92.991 1.00 28.64 C ATOM 47 CD LYS A 288 42.687 19.021 92.634 1.00 37.97 C ATOM 48 CE LYS A 288 42.790 20.465 93.099 1.00 45.80 C ATOM 49 NZ LYS A 288 43.749 21.253 92.276 1.00 51.22 N ATOM 50 HZ1 LYS A 288 44.694 20.824 92.341 1.00 0.00 H ATOM 51 HZ2 LYS A 288 43.434 21.253 91.285 1.00 0.00 H ATOM 52 HZ3 LYS A 288 43.786 22.230 92.630 1.00 0.00 H ATOM 53 H LYS A 288 39.319 16.049 94.251 1.00 0.00 H ATOM 54 N VAL A 289 39.197 15.398 90.204 1.00 8.03 N ATOM 55 CA VAL A 289 38.890 14.206 89.420 1.00 8.53 C ATOM 56 C VAL A 289 39.610 14.245 88.076 1.00 8.93 C ATOM 57 O VAL A 289 39.582 15.260 87.382 1.00 10.38 O ATOM 58 CB VAL A 289 37.364 14.113 89.171 1.00 8.41 C ATOM 59 CG1 VAL A 289 37.028 12.948 88.240 1.00 10.92 C ATOM 60 CG2 VAL A 289 36.623 13.976 90.491 1.00 10.31 C ATOM 61 H VAL A 289 39.138 16.329 89.744 1.00 0.00 H ATOM 62 N LEU A 290 40.238 13.133 87.700 1.00 6.49 N ATOM 63 CA LEU A 290 40.942 13.037 86.420 1.00 6.88 C ATOM 64 C LEU A 290 40.085 12.338 85.373 1.00 8.98 C ATOM 65 O LEU A 290 39.497 11.291 85.636 1.00 9.37 O ATOM 66 CB LEU A 290 42.255 12.259 86.595 1.00 7.27 C ATOM 67 CG LEU A 290 43.127 12.073 85.355 1.00 7.93 C ATOM 68 CD1 LEU A 290 43.623 13.430 84.857 1.00 12.82 C ATOM 69 CD2 LEU A 290 44.291 11.157 85.674 1.00 12.92 C ATOM 70 H LEU A 290 40.228 12.309 88.334 1.00 0.00 H ATOM 71 N LEU A 291 40.028 12.924 84.184 1.00 7.75 N ATOM 72 CA LEU A 291 39.305 12.343 83.064 1.00 7.32 C ATOM 73 C LEU A 291 40.259 12.192 81.880 1.00 6.29 C ATOM 74 O LEU A 291 41.050 13.094 81.601 1.00 9.09 O ATOM 75 CB LEU A 291 38.113 13.244 82.702 1.00 10.37 C ATOM 76 CG LEU A 291 37.236 12.875 81.505 1.00 8.75 C ATOM 77 CD1 LEU A 291 35.836 13.444 81.724 1.00 8.59 C ATOM 78 CD2 LEU A 291 37.845 13.424 80.213 1.00 9.85 C ATOM 79 H LEU A 291 40.518 13.831 84.048 1.00 0.00 H ATOM 80 N LEU A 292 40.200 11.039 81.219 1.00 6.56 N ATOM 81 CA LEU A 292 41.006 10.769 80.021 1.00 5.89 C ATOM 82 C LEU A 292 40.100 10.721 78.798 1.00 8.38 C ATOM 83 O LEU A 292 39.193 9.894 78.719 1.00 9.81 O ATOM 84 CB LEU A 292 41.778 9.451 80.158 1.00 8.98 C ATOM 85 CG LEU A 292 43.196 9.545 80.740 1.00 10.90 C ATOM 86 CD1 LEU A 292 43.227 10.276 82.083 1.00 11.81 C ATOM 87 CD2 LEU A 292 43.860 8.156 80.852 1.00 10.68 C ATOM 88 H LEU A 292 39.557 10.298 81.565 1.00 0.00 H ATOM 89 N LYS A 293 40.358 11.624 77.858 1.00 11.01 N ATOM 90 CA LYS A 293 39.533 11.802 76.664 1.00 14.45 C ATOM 91 C LYS A 293 40.399 11.529 75.441 1.00 11.76 C ATOM 92 O LYS A 293 41.519 12.025 75.353 1.00 11.59 O ATOM 93 CB LYS A 293 39.020 13.260 76.596 1.00 14.48 C ATOM 94 CG LYS A 293 37.930 13.499 75.544 1.00 16.42 C ATOM 95 CD LYS A 293 37.419 14.918 75.502 1.00 14.48 C ATOM 96 CE LYS A 293 38.306 15.814 74.670 1.00 14.13 C ATOM 97 NZ LYS A 293 38.497 15.246 73.320 1.00 11.84 N ATOM 98 HZ1 LYS A 293 38.942 14.309 73.399 1.00 0.00 H ATOM 99 HZ2 LYS A 293 37.574 15.154 72.850 1.00 0.00 H ATOM 100 HZ3 LYS A 293 39.109 15.876 72.764 1.00 0.00 H ATOM 101 H LYS A 293 41.190 12.236 77.978 1.00 0.00 H ATOM 102 N GLU A 294 39.897 10.764 74.478 1.00 10.45 N ATOM 103 CA GLU A 294 40.592 10.679 73.203 1.00 10.61 C ATOM 104 C GLU A 294 40.120 11.811 72.282 1.00 7.21 C ATOM 105 O GLU A 294 39.066 12.418 72.504 1.00 8.95 O ATOM 106 CB GLU A 294 40.397 9.310 72.540 1.00 13.92 C ATOM 107 CG GLU A 294 40.696 8.123 73.459 1.00 16.85 C ATOM 108 CD GLU A 294 42.143 8.050 73.938 1.00 16.47 C ATOM 109 OE1 GLU A 294 43.017 8.770 73.404 1.00 16.42 O ATOM 110 OE2 GLU A 294 42.401 7.260 74.872 1.00 19.80 O ATOM 111 H GLU A 294 39.017 10.232 74.634 1.00 0.00 H ATOM 112 N ASP A 295 40.903 12.107 71.254 1.00 9.15 N ATOM 113 CA ASP A 295 40.641 13.292 70.457 1.00 8.06 C ATOM 114 C ASP A 295 39.384 13.204 69.566 1.00 9.30 C ATOM 115 O ASP A 295 38.902 14.229 69.072 1.00 12.17 O ATOM 116 CB ASP A 295 41.861 13.625 69.588 1.00 12.23 C ATOM 117 CG ASP A 295 43.072 14.065 70.396 1.00 17.32 C ATOM 118 OD1 ASP A 295 42.929 14.463 71.573 1.00 16.61 O ATOM 119 OD2 ASP A 295 44.186 14.031 69.829 1.00 18.35 O ATOM 120 H ASP A 295 41.706 11.490 71.018 1.00 0.00 H ATOM 121 N HIS A 296 38.846 12.000 69.378 1.00 6.95 N ATOM 122 CA HIS A 296 37.639 11.838 68.557 1.00 8.08 C ATOM 123 C HIS A 296 36.370 11.926 69.397 1.00 6.96 C ATOM 124 O HIS A 296 35.275 11.775 68.866 1.00 8.51 O ATOM 125 CB HIS A 296 37.673 10.500 67.815 1.00 9.65 C ATOM 126 CG HIS A 296 37.509 9.312 68.709 1.00 9.25 C ATOM 127 ND1 HIS A 296 38.418 8.991 69.697 1.00 9.57 N ATOM 128 CD2 HIS A 296 36.523 8.384 68.789 1.00 9.99 C ATOM 129 CE1 HIS A 296 38.005 7.910 70.334 1.00 10.43 C ATOM 130 NE2 HIS A 296 36.860 7.519 69.801 1.00 10.69 N ATOM 131 H HIS A 296 39.285 11.166 69.817 1.00 0.00 H ATOM 132 N GLU A 297 36.525 12.182 70.695 1.00 7.25 N ATOM 133 CA GLU A 297 35.400 12.171 71.626 1.00 7.76 C ATOM 134 C GLU A 297 35.140 13.538 72.214 1.00 6.74 C ATOM 135 O GLU A 297 36.024 14.396 72.252 1.00 8.48 O ATOM 136 CB GLU A 297 35.714 11.236 72.802 1.00 9.48 C ATOM 137 CG GLU A 297 36.086 9.830 72.413 1.00 10.18 C ATOM 138 CD GLU A 297 36.372 8.972 73.629 1.00 9.38 C ATOM 139 OE1 GLU A 297 37.417 9.175 74.296 1.00 11.69 O ATOM 140 OE2 GLU A 297 35.542 8.102 73.903 1.00 15.04 O ATOM 141 H GLU A 297 37.476 12.396 71.056 1.00 0.00 H ATOM 142 N GLY A 298 33.912 13.729 72.689 1.00 7.03 N ATOM 143 CA GLY A 298 33.621 14.813 73.614 1.00 7.35 C ATOM 144 C GLY A 298 33.828 14.364 75.056 1.00 6.58 C ATOM 145 O GLY A 298 34.340 13.271 75.321 1.00 8.84 O ATOM 146 H GLY A 298 33.146 13.091 72.393 1.00 0.00 H ATOM 147 N LEU A 299 33.418 15.199 76.002 1.00 5.94 N ATOM 148 CA LEU A 299 33.556 14.850 77.421 1.00 7.25 C ATOM 149 C LEU A 299 32.544 13.804 77.861 1.00 7.82 C ATOM 150 O LEU A 299 32.793 13.055 78.805 1.00 9.06 O ATOM 151 CB LEU A 299 33.387 16.094 78.293 1.00 7.47 C ATOM 152 CG LEU A 299 34.513 17.109 78.177 1.00 8.64 C ATOM 153 CD1 LEU A 299 34.115 18.424 78.844 1.00 10.01 C ATOM 154 CD2 LEU A 299 35.778 16.533 78.802 1.00 9.90 C ATOM 155 H LEU A 299 32.994 16.111 75.735 1.00 0.00 H ATOM 156 N GLY A 300 31.390 13.765 77.207 1.00 8.03 N ATOM 157 CA GLY A 300 30.347 12.829 77.601 1.00 8.14 C ATOM 158 C GLY A 300 29.476 13.332 78.741 1.00 8.34 C ATOM 159 O GLY A 300 28.985 12.538 79.551 1.00 8.54 O ATOM 160 H GLY A 300 31.229 14.409 76.406 1.00 0.00 H ATOM 161 N ILE A 301 29.287 14.649 78.819 1.00 7.91 N ATOM 162 CA ILE A 301 28.365 15.231 79.800 1.00 7.61 C ATOM 163 C ILE A 301 27.436 16.245 79.159 1.00 7.47 C ATOM 164 O ILE A 301 27.723 16.777 78.077 1.00 9.11 O ATOM 165 CB ILE A 301 29.104 15.894 80.983 1.00 7.44 C ATOM 166 CG1 ILE A 301 29.943 17.088 80.508 1.00 9.01 C ATOM 167 CG2 ILE A 301 29.961 14.871 81.716 1.00 8.36 C ATOM 168 CD1 ILE A 301 30.666 17.811 81.651 1.00 10.16 C ATOM 169 H ILE A 301 29.804 15.277 78.171 1.00 0.00 H ATOM 170 N SER A 302 26.307 16.491 79.808 1.00 8.23 N ATOM 171 CA SER A 302 25.536 17.684 79.504 1.00 6.50 C ATOM 172 C SER A 302 25.699 18.613 80.684 1.00 9.35 C ATOM 173 O SER A 302 25.729 18.160 81.844 1.00 8.77 O ATOM 174 CB SER A 302 24.062 17.345 79.303 1.00 11.98 C ATOM 175 OG SER A 302 23.893 16.461 78.208 1.00 13.04 O ATOM 176 HG SER A 302 22.931 16.255 78.097 1.00 0.00 H ATOM 177 H SER A 302 25.972 15.829 80.536 1.00 0.00 H ATOM 178 N ILE A 303 25.831 19.907 80.396 1.00 7.28 N ATOM 179 CA ILE A 303 25.889 20.908 81.453 1.00 8.33 C ATOM 180 C ILE A 303 24.730 21.886 81.378 1.00 7.49 C ATOM 181 O ILE A 303 24.231 22.209 80.288 1.00 8.52 O ATOM 182 CB ILE A 303 27.228 21.682 81.461 1.00 6.48 C ATOM 183 CG1 ILE A 303 27.432 22.418 80.130 1.00 9.68 C ATOM 184 CG2 ILE A 303 28.389 20.733 81.782 1.00 8.45 C ATOM 185 CD1 ILE A 303 28.517 23.499 80.173 1.00 9.68 C ATOM 186 H ILE A 303 25.894 20.207 79.402 1.00 0.00 H ATOM 187 N THR A 304 24.290 22.347 82.546 1.00 7.44 N ATOM 188 CA THR A 304 23.250 23.365 82.642 1.00 7.65 C ATOM 189 C THR A 304 23.704 24.457 83.604 1.00 11.72 C ATOM 190 O THR A 304 24.438 24.173 84.552 1.00 10.24 O ATOM 191 CB THR A 304 21.935 22.781 83.188 1.00 13.33 C ATOM 192 OG1 THR A 304 21.638 21.540 82.534 1.00 21.64 O ATOM 193 CG2 THR A 304 20.802 23.758 82.969 1.00 6.53 C ATOM 194 HG1 THR A 304 21.546 21.695 81.561 1.00 0.00 H ATOM 195 H THR A 304 24.703 21.968 83.422 1.00 0.00 H ATOM 196 N GLY A 305 23.258 25.693 83.373 1.00 10.00 N ATOM 197 CA GLY A 305 23.573 26.791 84.267 1.00 8.80 C ATOM 198 C GLY A 305 24.470 27.852 83.680 1.00 9.41 C ATOM 199 O GLY A 305 24.654 27.940 82.463 1.00 10.45 O ATOM 200 H GLY A 305 22.671 25.873 82.533 1.00 0.00 H ATOM 201 N GLY A 306 25.025 28.680 84.555 1.00 8.79 N ATOM 202 CA GLY A 306 25.900 29.762 84.147 1.00 8.89 C ATOM 203 C GLY A 306 25.617 31.028 84.935 1.00 10.12 C ATOM 204 O GLY A 306 24.504 31.240 85.425 1.00 9.68 O ATOM 205 H GLY A 306 24.826 28.549 85.567 1.00 0.00 H ATOM 206 N LYS A 307 26.628 31.882 85.037 1.00 9.81 N ATOM 207 CA LYS A 307 26.541 33.090 85.859 1.00 9.78 C ATOM 208 C LYS A 307 25.352 33.989 85.513 1.00 13.23 C ATOM 209 O LYS A 307 24.740 34.594 86.402 1.00 13.27 O ATOM 210 CB LYS A 307 27.857 33.862 85.753 1.00 13.98 C ATOM 211 CG LYS A 307 28.033 34.961 86.789 1.00 19.04 C ATOM 212 CD LYS A 307 27.962 36.326 86.146 1.00 34.93 C ATOM 213 CE LYS A 307 28.265 37.427 87.152 1.00 38.90 C ATOM 214 NZ LYS A 307 28.045 38.770 86.548 1.00 40.61 N ATOM 215 HZ1 LYS A 307 28.670 38.885 85.725 1.00 0.00 H ATOM 216 HZ2 LYS A 307 27.053 38.855 86.246 1.00 0.00 H ATOM 217 HZ3 LYS A 307 28.258 39.505 87.253 1.00 0.00 H ATOM 218 H LYS A 307 27.508 31.687 84.518 1.00 0.00 H ATOM 219 N GLU A 308 25.007 34.066 84.230 1.00 10.43 N ATOM 220 CA GLU A 308 23.923 34.949 83.807 1.00 11.96 C ATOM 221 C GLU A 308 22.563 34.447 84.297 1.00 13.85 C ATOM 222 O GLU A 308 21.570 35.176 84.249 1.00 19.68 O ATOM 223 CB GLU A 308 23.931 35.148 82.281 1.00 13.54 C ATOM 224 CG GLU A 308 23.422 33.961 81.455 1.00 12.10 C ATOM 225 CD GLU A 308 24.501 32.940 81.083 1.00 14.15 C ATOM 226 OE1 GLU A 308 25.341 32.573 81.931 1.00 10.62 O ATOM 227 OE2 GLU A 308 24.492 32.484 79.924 1.00 18.35 O ATOM 228 H GLU A 308 25.512 33.494 83.524 1.00 0.00 H ATOM 229 N HIS A 309 22.531 33.207 84.772 1.00 11.95 N ATOM 230 CA HIS A 309 21.319 32.601 85.318 1.00 10.04 C ATOM 231 C HIS A 309 21.362 32.443 86.832 1.00 11.99 C ATOM 232 O HIS A 309 20.424 31.921 87.440 1.00 15.94 O ATOM 233 CB HIS A 309 21.069 31.249 84.654 1.00 11.52 C ATOM 234 CG HIS A 309 21.011 31.331 83.164 1.00 12.98 C ATOM 235 ND1 HIS A 309 19.986 31.970 82.500 1.00 12.89 N ATOM 236 CD2 HIS A 309 21.865 30.895 82.210 1.00 14.26 C ATOM 237 CE1 HIS A 309 20.200 31.904 81.199 1.00 13.00 C ATOM 238 NE2 HIS A 309 21.335 31.257 80.996 1.00 14.12 N ATOM 239 H HIS A 309 23.405 32.644 84.755 1.00 0.00 H ATOM 240 N GLY A 310 22.462 32.880 87.430 1.00 12.03 N ATOM 241 CA GLY A 310 22.625 32.797 88.873 1.00 12.49 C ATOM 242 C GLY A 310 22.761 31.369 89.378 1.00 14.43 C ATOM 243 O GLY A 310 22.469 31.086 90.538 1.00 19.96 O ATOM 244 H GLY A 310 23.225 33.291 86.855 1.00 0.00 H ATOM 245 N VAL A 311 23.214 30.462 88.514 1.00 12.87 N ATOM 246 CA VAL A 311 23.414 29.075 88.920 1.00 17.73 C ATOM 247 C VAL A 311 24.772 28.559 88.445 1.00 12.98 C ATOM 248 O VAL A 311 25.291 29.012 87.433 1.00 11.89 O ATOM 249 CB VAL A 311 22.289 28.172 88.396 1.00 25.69 C ATOM 250 CG1 VAL A 311 20.960 28.568 89.031 1.00 28.77 C ATOM 251 CG2 VAL A 311 22.204 28.258 86.894 1.00 23.76 C ATOM 252 H VAL A 311 23.428 30.746 87.537 1.00 0.00 H ATOM 253 N PRO A 312 25.368 27.616 89.190 1.00 10.90 N ATOM 254 CA PRO A 312 26.687 27.118 88.783 1.00 11.84 C ATOM 255 C PRO A 312 26.626 26.304 87.499 1.00 9.09 C ATOM 256 O PRO A 312 25.538 25.934 87.040 1.00 10.25 O ATOM 257 CB PRO A 312 27.102 26.214 89.952 1.00 15.18 C ATOM 258 CG PRO A 312 25.840 25.879 90.673 1.00 19.20 C ATOM 259 CD PRO A 312 24.904 27.030 90.460 1.00 17.24 C ATOM 260 N ILE A 313 27.787 26.016 86.933 1.00 10.70 N ATOM 261 CA ILE A 313 27.860 25.043 85.859 1.00 9.55 C ATOM 262 C ILE A 313 27.643 23.669 86.476 1.00 12.10 C ATOM 263 O ILE A 313 28.487 23.180 87.235 1.00 12.94 O ATOM 264 CB ILE A 313 29.212 25.090 85.151 1.00 8.80 C ATOM 265 CG1 ILE A 313 29.501 26.509 84.648 1.00 10.47 C ATOM 266 CG2 ILE A 313 29.267 24.062 84.027 1.00 9.23 C ATOM 267 CD1 ILE A 313 28.428 27.069 83.716 1.00 12.56 C ATOM 268 H ILE A 313 28.653 26.490 87.260 1.00 0.00 H ATOM 269 N LEU A 314 26.501 23.062 86.180 1.00 9.03 N ATOM 270 CA LEU A 314 26.135 21.774 86.764 1.00 8.62 C ATOM 271 C LEU A 314 26.143 20.660 85.730 1.00 8.43 C ATOM 272 O LEU A 314 25.705 20.859 84.595 1.00 9.08 O ATOM 273 CB LEU A 314 24.725 21.846 87.359 1.00 12.05 C ATOM 274 CG LEU A 314 24.507 22.758 88.555 1.00 14.50 C ATOM 275 CD1 LEU A 314 23.015 22.875 88.844 1.00 19.33 C ATOM 276 CD2 LEU A 314 25.249 22.232 89.773 1.00 15.08 C ATOM 277 H LEU A 314 25.847 23.517 85.512 1.00 0.00 H ATOM 278 N ILE A 315 26.636 19.486 86.116 1.00 9.18 N ATOM 279 CA ILE A 315 26.481 18.297 85.284 1.00 7.25 C ATOM 280 C ILE A 315 25.052 17.777 85.417 1.00 9.94 C ATOM 281 O ILE A 315 24.643 17.343 86.501 1.00 11.77 O ATOM 282 CB ILE A 315 27.478 17.193 85.681 1.00 8.56 C ATOM 283 CG1 ILE A 315 28.914 17.734 85.599 1.00 10.30 C ATOM 284 CG2 ILE A 315 27.286 15.956 84.814 1.00 11.49 C ATOM 285 CD1 ILE A 315 30.007 16.701 85.881 1.00 10.01 C ATOM 286 H ILE A 315 27.139 19.415 87.023 1.00 0.00 H ATOM 287 N SER A 316 24.290 17.833 84.327 1.00 10.36 N ATOM 288 CA SER A 316 22.916 17.334 84.344 1.00 9.59 C ATOM 289 C SER A 316 22.755 15.946 83.730 1.00 10.74 C ATOM 290 O SER A 316 21.748 15.278 83.973 1.00 13.23 O ATOM 291 CB SER A 316 21.964 18.325 83.665 1.00 12.51 C ATOM 292 OG SER A 316 22.300 18.499 82.297 1.00 13.83 O ATOM 293 HG SER A 316 21.671 19.142 81.883 1.00 0.00 H ATOM 294 H SER A 316 24.678 18.238 83.451 1.00 0.00 H ATOM 295 N GLU A 317 23.738 15.524 82.931 1.00 8.57 N ATOM 296 CA GLU A 317 23.742 14.170 82.384 1.00 9.07 C ATOM 297 C GLU A 317 25.161 13.672 82.239 1.00 8.43 C ATOM 298 O GLU A 317 26.069 14.451 81.974 1.00 8.66 O ATOM 299 CB GLU A 317 23.088 14.127 80.998 1.00 12.66 C ATOM 300 CG GLU A 317 21.703 14.735 80.934 1.00 16.93 C ATOM 301 CD GLU A 317 21.013 14.469 79.609 1.00 33.50 C ATOM 302 OE1 GLU A 317 21.415 15.071 78.590 1.00 30.45 O ATOM 303 OE2 GLU A 317 20.070 13.651 79.584 1.00 37.53 O ATOM 304 H GLU A 317 24.516 16.172 82.694 1.00 0.00 H ATOM 305 N ILE A 318 25.338 12.366 82.403 1.00 10.88 N ATOM 306 CA ILE A 318 26.584 11.692 82.055 1.00 10.61 C ATOM 307 C ILE A 318 26.221 10.589 81.080 1.00 11.13 C ATOM 308 O ILE A 318 25.423 9.707 81.407 1.00 12.79 O ATOM 309 CB ILE A 318 27.272 11.120 83.307 1.00 11.88 C ATOM 310 CG1 ILE A 318 27.733 12.273 84.197 1.00 14.33 C ATOM 311 CG2 ILE A 318 28.458 10.227 82.929 1.00 12.64 C ATOM 312 CD1 ILE A 318 28.258 11.816 85.517 1.00 14.26 C ATOM 313 H ILE A 318 24.557 11.802 82.795 1.00 0.00 H ATOM 314 N HIS A 319 26.802 10.650 79.876 1.00 8.80 N ATOM 315 CA HIS A 319 26.508 9.689 78.793 1.00 10.01 C ATOM 316 C HIS A 319 27.186 8.344 79.030 1.00 9.38 C ATOM 317 O HIS A 319 28.395 8.271 79.236 1.00 6.40 O ATOM 318 CB HIS A 319 26.945 10.236 77.416 1.00 11.63 C ATOM 319 CG HIS A 319 26.301 9.538 76.248 1.00 8.33 C ATOM 320 ND1 HIS A 319 26.713 8.304 75.782 1.00 10.56 N ATOM 321 CD2 HIS A 319 25.266 9.908 75.457 1.00 12.73 C ATOM 322 CE1 HIS A 319 25.962 7.948 74.756 1.00 14.08 C ATOM 323 NE2 HIS A 319 25.078 8.905 74.536 1.00 16.28 N ATOM 324 H HIS A 319 27.491 11.408 79.695 1.00 0.00 H ATOM 325 N PRO A 320 26.410 7.259 78.986 1.00 11.31 N ATOM 326 CA PRO A 320 27.037 5.955 79.238 1.00 10.35 C ATOM 327 C PRO A 320 28.143 5.635 78.248 1.00 11.43 C ATOM 328 O PRO A 320 27.973 5.829 77.034 1.00 11.66 O ATOM 329 CB PRO A 320 25.869 4.954 79.131 1.00 15.11 C ATOM 330 CG PRO A 320 24.724 5.716 78.569 1.00 17.28 C ATOM 331 CD PRO A 320 24.947 7.171 78.875 1.00 14.73 C ATOM 332 N GLY A 321 29.271 5.167 78.775 1.00 9.61 N ATOM 333 CA GLY A 321 30.378 4.711 77.960 1.00 11.93 C ATOM 334 C GLY A 321 31.314 5.795 77.460 1.00 11.57 C ATOM 335 O GLY A 321 32.367 5.478 76.903 1.00 13.52 O ATOM 336 H GLY A 321 29.361 5.127 79.810 1.00 0.00 H ATOM 337 N GLN A 322 30.938 7.063 77.644 1.00 8.01 N ATOM 338 CA GLN A 322 31.790 8.167 77.193 1.00 8.60 C ATOM 339 C GLN A 322 32.783 8.573 78.298 1.00 8.43 C ATOM 340 O GLN A 322 32.761 7.996 79.390 1.00 8.86 O ATOM 341 CB GLN A 322 30.946 9.333 76.662 1.00 7.38 C ATOM 342 CG GLN A 322 30.192 8.974 75.372 1.00 9.45 C ATOM 343 CD GLN A 322 31.109 8.344 74.310 1.00 18.97 C ATOM 344 OE1 GLN A 322 30.919 7.188 73.918 1.00 32.09 O ATOM 345 NE2 GLN A 322 32.110 9.100 73.852 1.00 14.17 N ATOM 346 HE22 GLN A 322 32.235 10.069 74.208 1.00 0.00 H ATOM 347 HE21 GLN A 322 32.765 8.720 73.139 1.00 0.00 H ATOM 348 H GLN A 322 30.032 7.269 78.112 1.00 0.00 H ATOM 349 N PRO A 323 33.689 9.515 78.013 1.00 6.78 N ATOM 350 CA PRO A 323 34.810 9.680 78.951 1.00 6.95 C ATOM 351 C PRO A 323 34.440 10.004 80.399 1.00 8.10 C ATOM 352 O PRO A 323 35.113 9.497 81.307 1.00 8.74 O ATOM 353 CB PRO A 323 35.629 10.814 78.317 1.00 6.90 C ATOM 354 CG PRO A 323 35.417 10.577 76.844 1.00 8.67 C ATOM 355 CD PRO A 323 33.947 10.205 76.733 1.00 7.29 C ATOM 356 N ALA A 324 33.420 10.819 80.644 1.00 5.91 N ATOM 357 CA ALA A 324 33.075 11.140 82.031 1.00 6.32 C ATOM 358 C ALA A 324 32.572 9.916 82.784 1.00 8.10 C ATOM 359 O ALA A 324 32.912 9.729 83.954 1.00 8.81 O ATOM 360 CB ALA A 324 32.074 12.299 82.114 1.00 7.94 C ATOM 361 H ALA A 324 32.872 11.225 79.859 1.00 0.00 H ATOM 362 N ASP A 325 31.785 9.071 82.125 1.00 7.77 N ATOM 363 CA ASP A 325 31.341 7.830 82.743 1.00 7.90 C ATOM 364 C ASP A 325 32.543 6.938 83.046 1.00 9.16 C ATOM 365 O ASP A 325 32.689 6.399 84.160 1.00 9.64 O ATOM 366 CB ASP A 325 30.364 7.121 81.799 1.00 7.19 C ATOM 367 CG ASP A 325 29.815 5.838 82.376 1.00 10.05 C ATOM 368 OD1 ASP A 325 29.670 5.743 83.609 1.00 12.13 O ATOM 369 OD2 ASP A 325 29.521 4.921 81.589 1.00 12.01 O ATOM 370 H ASP A 325 31.483 9.299 81.156 1.00 0.00 H ATOM 371 N ARG A 326 33.423 6.796 82.064 1.00 8.48 N ATOM 372 CA ARG A 326 34.571 5.909 82.210 1.00 7.59 C ATOM 373 C ARG A 326 35.537 6.363 83.305 1.00 9.32 C ATOM 374 O ARG A 326 36.184 5.519 83.939 1.00 10.20 O ATOM 375 CB ARG A 326 35.334 5.780 80.889 1.00 10.11 C ATOM 376 CG ARG A 326 34.481 5.338 79.712 1.00 9.90 C ATOM 377 CD ARG A 326 35.332 4.829 78.536 1.00 11.74 C ATOM 378 NE ARG A 326 36.334 5.771 78.031 1.00 15.00 N ATOM 379 CZ ARG A 326 36.183 6.509 76.931 1.00 13.54 C ATOM 380 NH1 ARG A 326 35.050 6.457 76.251 1.00 12.71 N ATOM 381 NH2 ARG A 326 37.157 7.319 76.527 1.00 12.94 N ATOM 382 HE ARG A 326 37.221 5.870 78.565 1.00 0.00 H ATOM 383 HH12 ARG A 326 34.932 7.032 75.393 1.00 0.00 H ATOM 384 HH11 ARG A 326 34.277 5.841 76.574 1.00 0.00 H ATOM 385 HH22 ARG A 326 37.034 7.892 75.668 1.00 0.00 H ATOM 386 HH21 ARG A 326 38.042 7.379 77.070 1.00 0.00 H ATOM 387 H ARG A 326 33.292 7.324 81.178 1.00 0.00 H ATOM 388 N CYS A 327 35.661 7.673 83.523 1.00 9.49 N ATOM 389 CA CYS A 327 36.616 8.150 84.528 1.00 10.57 C ATOM 390 C CYS A 327 36.216 7.753 85.956 1.00 10.18 C ATOM 391 O CYS A 327 37.073 7.673 86.837 1.00 9.75 O ATOM 392 CB CYS A 327 36.879 9.672 84.417 1.00 10.02 C ATOM 393 SG CYS A 327 35.769 10.777 85.353 1.00 11.49 S ATOM 394 H CYS A 327 35.085 8.351 82.984 1.00 0.00 H ATOM 395 N GLY A 328 34.922 7.538 86.191 1.00 8.14 N ATOM 396 CA GLY A 328 34.435 7.024 87.466 1.00 8.75 C ATOM 397 C GLY A 328 34.111 8.036 88.567 1.00 12.68 C ATOM 398 O GLY A 328 33.378 7.721 89.518 1.00 14.49 O ATOM 399 H GLY A 328 34.235 7.744 85.438 1.00 0.00 H ATOM 400 N GLY A 329 34.657 9.243 88.455 1.00 9.26 N ATOM 401 CA GLY A 329 34.600 10.197 89.554 1.00 9.40 C ATOM 402 C GLY A 329 33.666 11.382 89.405 1.00 9.10 C ATOM 403 O GLY A 329 33.645 12.257 90.276 1.00 10.33 O ATOM 404 H GLY A 329 35.132 9.510 87.569 1.00 0.00 H ATOM 405 N LEU A 330 32.902 11.432 88.319 1.00 9.73 N ATOM 406 CA LEU A 330 31.966 12.529 88.094 1.00 10.34 C ATOM 407 C LEU A 330 30.533 12.013 88.203 1.00 10.34 C ATOM 408 O LEU A 330 30.245 10.879 87.806 1.00 13.22 O ATOM 409 CB LEU A 330 32.187 13.152 86.714 1.00 10.19 C ATOM 410 CG LEU A 330 33.535 13.832 86.477 1.00 8.85 C ATOM 411 CD1 LEU A 330 33.689 14.307 85.025 1.00 11.07 C ATOM 412 CD2 LEU A 330 33.691 14.996 87.427 1.00 9.95 C ATOM 413 H LEU A 330 32.973 10.672 87.613 1.00 0.00 H ATOM 414 N HIS A 331 29.640 12.858 88.712 1.00 10.13 N ATOM 415 CA HIS A 331 28.253 12.470 88.970 1.00 10.38 C ATOM 416 C HIS A 331 27.283 13.558 88.544 1.00 9.02 C ATOM 417 O HIS A 331 27.592 14.753 88.625 1.00 9.42 O ATOM 418 CB HIS A 331 28.059 12.194 90.461 1.00 10.79 C ATOM 419 CG HIS A 331 28.968 11.135 90.998 1.00 16.06 C ATOM 420 ND1 HIS A 331 28.539 9.847 91.248 1.00 22.69 N ATOM 421 CD2 HIS A 331 30.279 11.168 91.336 1.00 14.68 C ATOM 422 CE1 HIS A 331 29.549 9.132 91.713 1.00 24.09 C ATOM 423 NE2 HIS A 331 30.617 9.908 91.772 1.00 21.20 N ATOM 424 H HIS A 331 29.939 13.829 88.934 1.00 0.00 H ATOM 425 N VAL A 332 26.105 13.132 88.099 1.00 10.06 N ATOM 426 CA VAL A 332 25.019 14.062 87.850 1.00 9.93 C ATOM 427 C VAL A 332 24.742 14.828 89.147 1.00 12.62 C ATOM 428 O VAL A 332 24.621 14.235 90.234 1.00 12.45 O ATOM 429 CB VAL A 332 23.760 13.333 87.344 1.00 10.20 C ATOM 430 CG1 VAL A 332 22.562 14.265 87.350 1.00 13.42 C ATOM 431 CG2 VAL A 332 24.009 12.780 85.947 1.00 12.16 C ATOM 432 H VAL A 332 25.959 12.117 87.927 1.00 0.00 H ATOM 433 N GLY A 333 24.674 16.151 89.038 1.00 10.12 N ATOM 434 CA GLY A 333 24.472 17.002 90.198 1.00 10.56 C ATOM 435 C GLY A 333 25.745 17.692 90.654 1.00 9.80 C ATOM 436 O GLY A 333 25.692 18.648 91.441 1.00 13.06 O ATOM 437 H GLY A 333 24.768 16.588 88.099 1.00 0.00 H ATOM 438 N ASP A 334 26.894 17.207 90.180 1.00 9.53 N ATOM 439 CA ASP A 334 28.168 17.883 90.457 1.00 9.26 C ATOM 440 C ASP A 334 28.194 19.283 89.853 1.00 11.05 C ATOM 441 O ASP A 334 27.769 19.487 88.714 1.00 9.80 O ATOM 442 CB ASP A 334 29.353 17.097 89.879 1.00 8.57 C ATOM 443 CG ASP A 334 29.821 15.975 90.775 1.00 13.20 C ATOM 444 OD1 ASP A 334 29.539 16.020 91.993 1.00 12.47 O ATOM 445 OD2 ASP A 334 30.507 15.058 90.263 1.00 10.11 O ATOM 446 H ASP A 334 26.887 16.339 89.607 1.00 0.00 H ATOM 447 N ALA A 335 28.709 20.241 90.614 1.00 8.98 N ATOM 448 CA ALA A 335 29.041 21.555 90.087 1.00 8.81 C ATOM 449 C ALA A 335 30.497 21.526 89.657 1.00 10.13 C ATOM 450 O ALA A 335 31.353 21.037 90.394 1.00 9.65 O ATOM 451 CB ALA A 335 28.816 22.629 91.141 1.00 11.47 C ATOM 452 H ALA A 335 28.881 20.045 91.621 1.00 0.00 H ATOM 453 N ILE A 336 30.782 22.010 88.453 1.00 9.15 N ATOM 454 CA ILE A 336 32.161 22.100 87.994 1.00 8.46 C ATOM 455 C ILE A 336 32.724 23.449 88.417 1.00 9.03 C ATOM 456 O ILE A 336 32.293 24.494 87.924 1.00 10.33 O ATOM 457 CB ILE A 336 32.280 21.928 86.471 1.00 6.47 C ATOM 458 CG1 ILE A 336 31.603 20.635 86.013 1.00 7.91 C ATOM 459 CG2 ILE A 336 33.744 21.890 86.072 1.00 8.90 C ATOM 460 CD1 ILE A 336 31.575 20.486 84.487 1.00 9.03 C ATOM 461 H ILE A 336 30.011 22.328 87.831 1.00 0.00 H ATOM 462 N LEU A 337 33.665 23.418 89.356 1.00 7.70 N ATOM 463 CA LEU A 337 34.280 24.634 89.879 1.00 8.96 C ATOM 464 C LEU A 337 35.445 25.096 89.028 1.00 8.81 C ATOM 465 O LEU A 337 35.678 26.292 88.892 1.00 9.07 O ATOM 466 CB LEU A 337 34.754 24.422 91.330 1.00 7.83 C ATOM 467 CG LEU A 337 33.665 23.881 92.265 1.00 11.09 C ATOM 468 CD1 LEU A 337 34.184 23.638 93.680 1.00 14.38 C ATOM 469 CD2 LEU A 337 32.476 24.831 92.291 1.00 15.14 C ATOM 470 H LEU A 337 33.973 22.498 89.730 1.00 0.00 H ATOM 471 N ALA A 338 36.185 24.149 88.456 1.00 8.94 N ATOM 472 CA ALA A 338 37.328 24.488 87.608 1.00 8.46 C ATOM 473 C ALA A 338 37.668 23.310 86.713 1.00 9.14 C ATOM 474 O ALA A 338 37.344 22.164 87.026 1.00 8.17 O ATOM 475 CB ALA A 338 38.554 24.858 88.464 1.00 8.60 C ATOM 476 H ALA A 338 35.946 23.149 88.615 1.00 0.00 H ATOM 477 N VAL A 339 38.330 23.595 85.600 1.00 6.97 N ATOM 478 CA VAL A 339 38.865 22.556 84.740 1.00 8.22 C ATOM 479 C VAL A 339 40.262 22.947 84.305 1.00 8.22 C ATOM 480 O VAL A 339 40.478 24.064 83.829 1.00 9.63 O ATOM 481 CB VAL A 339 37.953 22.278 83.527 1.00 6.98 C ATOM 482 CG1 VAL A 339 37.807 23.511 82.623 1.00 10.22 C ATOM 483 CG2 VAL A 339 38.482 21.081 82.736 1.00 9.76 C ATOM 484 H VAL A 339 38.470 24.591 85.336 1.00 0.00 H ATOM 485 N ASN A 340 41.215 22.045 84.503 1.00 9.27 N ATOM 486 CA ASN A 340 42.622 22.328 84.220 1.00 10.01 C ATOM 487 C ASN A 340 43.101 23.671 84.788 1.00 13.19 C ATOM 488 O ASN A 340 43.864 24.388 84.146 1.00 14.25 O ATOM 489 CB ASN A 340 42.903 22.221 82.716 1.00 10.69 C ATOM 490 CG ASN A 340 43.003 20.774 82.249 1.00 10.13 C ATOM 491 OD1 ASN A 340 43.318 19.875 83.040 1.00 11.05 O ATOM 492 ND2 ASN A 340 42.751 20.542 80.965 1.00 11.34 N ATOM 493 HD22 ASN A 340 42.490 21.328 80.336 1.00 0.00 H ATOM 494 HD21 ASN A 340 42.815 19.574 80.589 1.00 0.00 H ATOM 495 H ASN A 340 40.953 21.108 84.871 1.00 0.00 H ATOM 496 N GLY A 341 42.636 24.014 85.987 1.00 12.45 N ATOM 497 CA GLY A 341 43.059 25.246 86.634 1.00 14.80 C ATOM 498 C GLY A 341 42.298 26.496 86.220 1.00 16.31 C ATOM 499 O GLY A 341 42.552 27.578 86.759 1.00 20.00 O ATOM 500 H GLY A 341 41.958 23.390 86.470 1.00 0.00 H ATOM 501 N VAL A 342 41.375 26.368 85.267 1.00 10.35 N ATOM 502 CA VAL A 342 40.551 27.497 84.838 1.00 10.25 C ATOM 503 C VAL A 342 39.260 27.555 85.659 1.00 11.65 C ATOM 504 O VAL A 342 38.452 26.632 85.602 1.00 11.26 O ATOM 505 CB VAL A 342 40.171 27.378 83.344 1.00 11.05 C ATOM 506 CG1 VAL A 342 39.406 28.610 82.895 1.00 11.85 C ATOM 507 CG2 VAL A 342 41.409 27.178 82.477 1.00 13.85 C ATOM 508 H VAL A 342 41.237 25.441 84.817 1.00 0.00 H ATOM 509 N ASN A 343 39.072 28.637 86.416 1.00 10.09 N ATOM 510 CA ASN A 343 37.898 28.802 87.264 1.00 9.60 C ATOM 511 C ASN A 343 36.632 28.920 86.422 1.00 12.66 C ATOM 512 O ASN A 343 36.583 29.706 85.472 1.00 16.11 O ATOM 513 CB ASN A 343 38.074 30.056 88.137 1.00 11.30 C ATOM 514 CG ASN A 343 36.961 30.235 89.151 1.00 14.66 C ATOM 515 OD1 ASN A 343 36.209 29.309 89.438 1.00 16.00 O ATOM 516 ND2 ASN A 343 36.863 31.431 89.710 1.00 22.69 N ATOM 517 HD22 ASN A 343 37.522 32.188 89.437 1.00 0.00 H ATOM 518 HD21 ASN A 343 36.127 31.614 90.422 1.00 0.00 H ATOM 519 H ASN A 343 39.789 29.390 86.401 1.00 0.00 H ATOM 520 N LEU A 344 35.620 28.122 86.756 1.00 9.85 N ATOM 521 CA LEU A 344 34.332 28.185 86.074 1.00 10.53 C ATOM 522 C LEU A 344 33.213 28.705 86.979 1.00 11.43 C ATOM 523 O LEU A 344 32.056 28.727 86.583 1.00 15.03 O ATOM 524 CB LEU A 344 33.949 26.805 85.530 1.00 11.25 C ATOM 525 CG LEU A 344 34.872 26.222 84.456 1.00 12.19 C ATOM 526 CD1 LEU A 344 34.384 24.847 84.006 1.00 16.11 C ATOM 527 CD2 LEU A 344 34.988 27.161 83.261 1.00 13.11 C ATOM 528 H LEU A 344 35.751 27.434 87.525 1.00 0.00 H ATOM 529 N ARG A 345 33.568 29.132 88.188 1.00 11.15 N ATOM 530 CA ARG A 345 32.574 29.580 89.161 1.00 11.38 C ATOM 531 C ARG A 345 31.810 30.830 88.710 1.00 14.64 C ATOM 532 O ARG A 345 30.648 31.014 89.070 1.00 18.35 O ATOM 533 CB ARG A 345 33.235 29.841 90.521 1.00 15.12 C ATOM 534 CG ARG A 345 33.878 28.621 91.181 1.00 17.85 C ATOM 535 CD ARG A 345 34.931 29.078 92.188 1.00 20.69 C ATOM 536 NE ARG A 345 35.435 28.015 93.059 1.00 19.31 N ATOM 537 CZ ARG A 345 36.483 27.244 92.781 1.00 22.60 C ATOM 538 NH1 ARG A 345 37.142 27.388 91.634 1.00 11.02 N ATOM 539 NH2 ARG A 345 36.867 26.315 93.651 1.00 22.24 N ATOM 540 HE ARG A 345 34.939 27.851 93.958 1.00 0.00 H ATOM 541 HH12 ARG A 345 37.960 26.781 91.425 1.00 0.00 H ATOM 542 HH11 ARG A 345 36.839 28.107 90.947 1.00 0.00 H ATOM 543 HH22 ARG A 345 37.686 25.710 93.438 1.00 0.00 H ATOM 544 HH21 ARG A 345 36.349 26.193 94.544 1.00 0.00 H ATOM 545 H ARG A 345 34.575 29.147 88.446 1.00 0.00 H ATOM 546 N ASP A 346 32.461 31.690 87.930 1.00 14.40 N ATOM 547 CA ASP A 346 31.838 32.945 87.491 1.00 16.14 C ATOM 548 C ASP A 346 31.602 33.029 85.985 1.00 13.20 C ATOM 549 O ASP A 346 31.428 34.116 85.437 1.00 17.58 O ATOM 550 CB ASP A 346 32.682 34.151 87.925 1.00 25.93 C ATOM 551 CG ASP A 346 32.898 34.211 89.427 1.00 37.35 C ATOM 552 OD1 ASP A 346 31.942 33.941 90.187 1.00 38.78 O ATOM 553 OD2 ASP A 346 34.033 34.530 89.843 1.00 40.06 O ATOM 554 H ASP A 346 33.430 31.469 87.625 1.00 0.00 H ATOM 555 N THR A 347 31.591 31.886 85.316 1.00 12.23 N ATOM 556 CA THR A 347 31.492 31.879 83.865 1.00 10.71 C ATOM 557 C THR A 347 30.046 31.778 83.395 1.00 9.49 C ATOM 558 O THR A 347 29.197 31.115 84.029 1.00 10.01 O ATOM 559 CB THR A 347 32.320 30.732 83.247 1.00 15.94 C ATOM 560 OG1 THR A 347 31.804 29.464 83.679 1.00 16.62 O ATOM 561 CG2 THR A 347 33.773 30.856 83.689 1.00 20.45 C ATOM 562 HG1 THR A 347 31.855 29.407 84.666 1.00 0.00 H ATOM 563 H THR A 347 31.654 30.986 85.833 1.00 0.00 H ATOM 564 N LYS A 348 29.774 32.445 82.273 1.00 9.28 N ATOM 565 CA LYS A 348 28.482 32.341 81.614 1.00 9.41 C ATOM 566 C LYS A 348 28.388 30.997 80.900 1.00 6.93 C ATOM 567 O LYS A 348 29.402 30.338 80.646 1.00 8.07 O ATOM 568 CB LYS A 348 28.292 33.480 80.607 1.00 10.58 C ATOM 569 CG LYS A 348 28.305 34.885 81.218 1.00 14.30 C ATOM 570 CD LYS A 348 28.222 35.932 80.105 1.00 16.85 C ATOM 571 CE LYS A 348 28.322 37.343 80.634 1.00 29.22 C ATOM 572 NZ LYS A 348 28.156 38.319 79.524 1.00 28.68 N ATOM 573 HZ1 LYS A 348 28.902 38.166 78.815 1.00 0.00 H ATOM 574 HZ2 LYS A 348 27.224 38.185 79.083 1.00 0.00 H ATOM 575 HZ3 LYS A 348 28.227 39.286 79.901 1.00 0.00 H ATOM 576 H LYS A 348 30.506 33.056 81.858 1.00 0.00 H ATOM 577 N HIS A 349 27.173 30.574 80.573 1.00 7.06 N ATOM 578 CA HIS A 349 26.975 29.253 79.978 1.00 7.23 C ATOM 579 C HIS A 349 27.892 28.984 78.776 1.00 7.47 C ATOM 580 O HIS A 349 28.582 27.958 78.721 1.00 7.89 O ATOM 581 CB HIS A 349 25.515 29.070 79.549 1.00 7.66 C ATOM 582 CG HIS A 349 25.209 27.683 79.083 1.00 6.40 C ATOM 583 ND1 HIS A 349 24.859 26.670 79.951 1.00 8.52 N ATOM 584 CD2 HIS A 349 25.225 27.132 77.845 1.00 7.98 C ATOM 585 CE1 HIS A 349 24.680 25.550 79.269 1.00 8.58 C ATOM 586 NE2 HIS A 349 24.892 25.806 77.988 1.00 8.75 N ATOM 587 H HIS A 349 26.352 31.190 80.742 1.00 0.00 H ATOM 588 N LYS A 350 27.884 29.886 77.800 1.00 8.61 N ATOM 589 CA LYS A 350 28.623 29.636 76.565 1.00 7.41 C ATOM 590 C LYS A 350 30.126 29.789 76.760 1.00 8.75 C ATOM 591 O LYS A 350 30.917 29.148 76.069 1.00 9.03 O ATOM 592 CB LYS A 350 28.104 30.525 75.430 1.00 7.97 C ATOM 593 CG LYS A 350 26.686 30.152 75.005 1.00 8.23 C ATOM 594 CD LYS A 350 26.196 30.982 73.805 1.00 9.35 C ATOM 595 CE LYS A 350 26.763 30.458 72.493 1.00 10.71 C ATOM 596 NZ LYS A 350 26.428 31.383 71.359 1.00 12.93 N ATOM 597 HZ1 LYS A 350 25.395 31.461 71.271 1.00 0.00 H ATOM 598 HZ2 LYS A 350 26.833 32.322 71.548 1.00 0.00 H ATOM 599 HZ3 LYS A 350 26.825 31.004 70.476 1.00 0.00 H ATOM 600 H LYS A 350 27.351 30.771 77.916 1.00 0.00 H ATOM 601 N GLU A 351 30.530 30.607 77.723 1.00 8.78 N ATOM 602 CA GLU A 351 31.940 30.684 78.082 1.00 6.78 C ATOM 603 C GLU A 351 32.397 29.317 78.592 1.00 6.60 C ATOM 604 O GLU A 351 33.453 28.816 78.202 1.00 7.51 O ATOM 605 CB GLU A 351 32.170 31.773 79.147 1.00 6.63 C ATOM 606 CG GLU A 351 31.854 33.199 78.663 1.00 8.34 C ATOM 607 CD GLU A 351 31.935 34.239 79.755 1.00 13.50 C ATOM 608 OE1 GLU A 351 31.982 33.870 80.952 1.00 11.82 O ATOM 609 OE2 GLU A 351 31.954 35.442 79.419 1.00 14.93 O ATOM 610 H GLU A 351 29.836 31.197 78.225 1.00 0.00 H ATOM 611 N ALA A 352 31.588 28.710 79.463 1.00 7.19 N ATOM 612 CA ALA A 352 31.913 27.397 80.018 1.00 7.80 C ATOM 613 C ALA A 352 31.971 26.331 78.920 1.00 7.25 C ATOM 614 O ALA A 352 32.849 25.466 78.937 1.00 7.03 O ATOM 615 CB ALA A 352 30.888 27.002 81.094 1.00 8.62 C ATOM 616 H ALA A 352 30.707 29.181 79.753 1.00 0.00 H ATOM 617 N VAL A 353 31.044 26.395 77.965 1.00 6.68 N ATOM 618 CA VAL A 353 31.078 25.455 76.836 1.00 6.21 C ATOM 619 C VAL A 353 32.402 25.548 76.068 1.00 6.67 C ATOM 620 O VAL A 353 33.054 24.532 75.814 1.00 7.72 O ATOM 621 CB VAL A 353 29.869 25.623 75.876 1.00 7.88 C ATOM 622 CG1 VAL A 353 30.062 24.771 74.624 1.00 9.66 C ATOM 623 CG2 VAL A 353 28.557 25.245 76.577 1.00 7.73 C ATOM 624 H VAL A 353 30.294 27.113 78.019 1.00 0.00 H ATOM 625 N THR A 354 32.804 26.765 75.710 1.00 6.79 N ATOM 626 CA THR A 354 34.059 26.969 74.999 1.00 7.56 C ATOM 627 C THR A 354 35.266 26.472 75.800 1.00 8.62 C ATOM 628 O THR A 354 36.100 25.710 75.280 1.00 8.20 O ATOM 629 CB THR A 354 34.207 28.447 74.604 1.00 9.79 C ATOM 630 OG1 THR A 354 33.274 28.731 73.552 1.00 12.67 O ATOM 631 CG2 THR A 354 35.610 28.753 74.112 1.00 10.76 C ATOM 632 HG1 THR A 354 32.354 28.556 73.873 1.00 0.00 H ATOM 633 H THR A 354 32.210 27.587 75.942 1.00 0.00 H ATOM 634 N ILE A 355 35.349 26.855 77.074 1.00 7.24 N ATOM 635 CA ILE A 355 36.479 26.433 77.893 1.00 7.42 C ATOM 636 C ILE A 355 36.525 24.907 78.036 1.00 7.36 C ATOM 637 O ILE A 355 37.565 24.288 77.848 1.00 8.86 O ATOM 638 CB ILE A 355 36.430 27.101 79.279 1.00 6.50 C ATOM 639 CG1 ILE A 355 36.638 28.616 79.151 1.00 9.49 C ATOM 640 CG2 ILE A 355 37.464 26.480 80.212 1.00 7.28 C ATOM 641 CD1 ILE A 355 36.119 29.388 80.354 1.00 10.59 C ATOM 642 H ILE A 355 34.606 27.456 77.485 1.00 0.00 H ATOM 643 N LEU A 356 35.393 24.293 78.351 1.00 5.67 N ATOM 644 CA LEU A 356 35.377 22.848 78.541 1.00 6.31 C ATOM 645 C LEU A 356 35.695 22.074 77.262 1.00 6.85 C ATOM 646 O LEU A 356 36.446 21.102 77.299 1.00 7.70 O ATOM 647 CB LEU A 356 34.036 22.401 79.121 1.00 6.19 C ATOM 648 CG LEU A 356 33.851 22.730 80.601 1.00 7.41 C ATOM 649 CD1 LEU A 356 32.371 22.834 80.940 1.00 7.91 C ATOM 650 CD2 LEU A 356 34.561 21.689 81.484 1.00 8.99 C ATOM 651 H LEU A 356 34.517 24.842 78.462 1.00 0.00 H ATOM 652 N SER A 357 35.146 22.514 76.130 1.00 7.81 N ATOM 653 CA SER A 357 35.361 21.804 74.865 1.00 7.50 C ATOM 654 C SER A 357 36.779 21.936 74.320 1.00 8.52 C ATOM 655 O SER A 357 37.183 21.130 73.467 1.00 10.52 O ATOM 656 CB SER A 357 34.360 22.273 73.799 1.00 6.92 C ATOM 657 OG SER A 357 33.041 21.883 74.153 1.00 9.89 O ATOM 658 HG SER A 357 32.998 20.897 74.225 1.00 0.00 H ATOM 659 H SER A 357 34.558 23.372 76.144 1.00 0.00 H ATOM 660 N GLN A 358 37.523 22.936 74.796 1.00 8.18 N ATOM 661 CA GLN A 358 38.899 23.150 74.355 1.00 7.89 C ATOM 662 C GLN A 358 39.875 22.172 74.994 1.00 8.14 C ATOM 663 O GLN A 358 40.978 21.991 74.488 1.00 9.88 O ATOM 664 CB GLN A 358 39.367 24.569 74.705 1.00 11.87 C ATOM 665 CG GLN A 358 38.905 25.639 73.745 1.00 16.74 C ATOM 666 CD GLN A 358 39.286 27.028 74.214 1.00 17.93 C ATOM 667 OE1 GLN A 358 39.735 27.212 75.348 1.00 23.98 O ATOM 668 NE2 GLN A 358 39.100 28.015 73.350 1.00 18.17 N ATOM 669 HE22 GLN A 358 38.719 27.813 72.404 1.00 0.00 H ATOM 670 HE21 GLN A 358 39.335 28.992 73.618 1.00 0.00 H ATOM 671 H GLN A 358 37.112 23.581 75.501 1.00 0.00 H ATOM 672 N GLN A 359 39.498 21.578 76.127 1.00 7.44 N ATOM 673 CA GLN A 359 40.449 20.738 76.866 1.00 6.33 C ATOM 674 C GLN A 359 40.657 19.396 76.167 1.00 6.51 C ATOM 675 O GLN A 359 39.711 18.824 75.612 1.00 8.89 O ATOM 676 CB GLN A 359 40.002 20.532 78.322 1.00 6.50 C ATOM 677 CG GLN A 359 39.610 21.813 79.039 1.00 8.45 C ATOM 678 CD GLN A 359 40.689 22.866 78.972 1.00 8.82 C ATOM 679 OE1 GLN A 359 41.870 22.593 79.223 1.00 10.32 O ATOM 680 NE2 GLN A 359 40.295 24.083 78.610 1.00 9.00 N ATOM 681 HE22 GLN A 359 39.291 24.266 78.409 1.00 0.00 H ATOM 682 HE21 GLN A 359 40.991 24.852 78.528 1.00 0.00 H ATOM 683 H GLN A 359 38.531 21.710 76.487 1.00 0.00 H ATOM 684 N ARG A 360 41.895 18.905 76.173 1.00 8.28 N ATOM 685 CA ARG A 360 42.222 17.646 75.500 1.00 9.56 C ATOM 686 C ARG A 360 42.988 16.695 76.397 1.00 8.73 C ATOM 687 O ARG A 360 43.724 17.126 77.288 1.00 10.06 O ATOM 688 CB ARG A 360 43.083 17.910 74.255 1.00 12.95 C ATOM 689 CG ARG A 360 42.401 18.709 73.150 1.00 18.22 C ATOM 690 CD ARG A 360 43.403 19.109 72.065 1.00 27.18 C ATOM 691 NE ARG A 360 43.971 17.941 71.399 1.00 31.18 N ATOM 692 CZ ARG A 360 45.115 17.949 70.722 1.00 46.95 C ATOM 693 NH1 ARG A 360 45.821 19.067 70.622 1.00 54.23 N ATOM 694 NH2 ARG A 360 45.559 16.837 70.152 1.00 43.96 N ATOM 695 HE ARG A 360 43.447 17.045 71.458 1.00 0.00 H ATOM 696 HH12 ARG A 360 46.716 19.071 70.092 1.00 0.00 H ATOM 697 HH11 ARG A 360 45.480 19.940 71.074 1.00 0.00 H ATOM 698 HH22 ARG A 360 46.454 16.846 69.623 1.00 0.00 H ATOM 699 HH21 ARG A 360 45.012 15.956 70.234 1.00 0.00 H ATOM 700 H ARG A 360 42.647 19.427 76.667 1.00 0.00 H ATOM 701 N GLY A 361 42.825 15.397 76.146 1.00 7.45 N ATOM 702 CA GLY A 361 43.705 14.399 76.729 1.00 7.80 C ATOM 703 C GLY A 361 43.415 14.096 78.185 1.00 9.25 C ATOM 704 O GLY A 361 42.341 13.616 78.525 1.00 9.69 O ATOM 705 H GLY A 361 42.052 15.092 75.520 1.00 0.00 H ATOM 706 N GLU A 362 44.386 14.391 79.044 1.00 7.91 N ATOM 707 CA GLU A 362 44.259 14.182 80.479 1.00 7.65 C ATOM 708 C GLU A 362 43.774 15.469 81.099 1.00 11.74 C ATOM 709 O GLU A 362 44.498 16.462 81.131 1.00 13.01 O ATOM 710 CB GLU A 362 45.610 13.780 81.070 1.00 8.60 C ATOM 711 CG GLU A 362 46.105 12.452 80.528 1.00 10.78 C ATOM 712 CD GLU A 362 47.441 12.042 81.085 1.00 14.00 C ATOM 713 OE1 GLU A 362 48.175 12.918 81.596 1.00 15.69 O ATOM 714 OE2 GLU A 362 47.752 10.835 81.019 1.00 13.69 O ATOM 715 H GLU A 362 45.274 14.788 78.675 1.00 0.00 H ATOM 716 N ILE A 363 42.542 15.445 81.589 1.00 7.71 N ATOM 717 CA ILE A 363 41.849 16.659 81.993 1.00 7.98 C ATOM 718 C ILE A 363 41.474 16.596 83.476 1.00 8.79 C ATOM 719 O ILE A 363 40.811 15.656 83.915 1.00 9.31 O ATOM 720 CB ILE A 363 40.597 16.857 81.129 1.00 7.28 C ATOM 721 CG1 ILE A 363 40.977 16.875 79.641 1.00 9.13 C ATOM 722 CG2 ILE A 363 39.878 18.140 81.521 1.00 9.62 C ATOM 723 CD1 ILE A 363 39.779 16.792 78.714 1.00 10.13 C ATOM 724 H ILE A 363 42.056 14.531 81.688 1.00 0.00 H ATOM 725 N GLU A 364 41.903 17.591 84.250 1.00 7.69 N ATOM 726 CA GLU A 364 41.600 17.625 85.677 1.00 9.71 C ATOM 727 C GLU A 364 40.391 18.506 85.978 1.00 9.25 C ATOM 728 O GLU A 364 40.320 19.657 85.554 1.00 12.94 O ATOM 729 CB GLU A 364 42.800 18.139 86.474 1.00 13.97 C ATOM 730 CG GLU A 364 42.552 18.116 87.977 1.00 29.03 C ATOM 731 CD GLU A 364 43.638 18.812 88.770 1.00 44.31 C ATOM 732 OE1 GLU A 364 43.682 20.063 88.756 1.00 49.55 O ATOM 733 OE2 GLU A 364 44.441 18.107 89.414 1.00 50.28 O ATOM 734 H GLU A 364 42.465 18.359 83.829 1.00 0.00 H ATOM 735 N PHE A 365 39.438 17.960 86.717 1.00 8.63 N ATOM 736 CA PHE A 365 38.241 18.684 87.122 1.00 6.76 C ATOM 737 C PHE A 365 38.281 18.940 88.622 1.00 10.54 C ATOM 738 O PHE A 365 38.718 18.087 89.396 1.00 12.60 O ATOM 739 CB PHE A 365 36.986 17.859 86.801 1.00 11.26 C ATOM 740 CG PHE A 365 36.621 17.842 85.344 1.00 8.77 C ATOM 741 CD1 PHE A 365 37.209 16.949 84.469 1.00 9.93 C ATOM 742 CD2 PHE A 365 35.680 18.734 84.853 1.00 14.82 C ATOM 743 CE1 PHE A 365 36.863 16.951 83.123 1.00 9.73 C ATOM 744 CE2 PHE A 365 35.328 18.735 83.508 1.00 14.96 C ATOM 745 CZ PHE A 365 35.928 17.837 82.645 1.00 12.43 C ATOM 746 H PHE A 365 39.549 16.972 87.021 1.00 0.00 H ATOM 747 N GLU A 366 37.824 20.118 89.031 1.00 8.33 N ATOM 748 CA GLU A 366 37.520 20.367 90.433 1.00 8.71 C ATOM 749 C GLU A 366 36.006 20.473 90.539 1.00 8.36 C ATOM 750 O GLU A 366 35.395 21.328 89.891 1.00 9.66 O ATOM 751 CB GLU A 366 38.195 21.664 90.871 1.00 11.80 C ATOM 752 CG GLU A 366 38.041 21.986 92.343 1.00 14.49 C ATOM 753 CD GLU A 366 38.919 23.153 92.771 1.00 32.36 C ATOM 754 OE1 GLU A 366 39.711 23.639 91.939 1.00 31.55 O ATOM 755 OE2 GLU A 366 38.817 23.584 93.939 1.00 36.84 O ATOM 756 H GLU A 366 37.680 20.878 88.336 1.00 0.00 H ATOM 757 N VAL A 367 35.395 19.605 91.348 1.00 9.88 N ATOM 758 CA VAL A 367 33.942 19.499 91.389 1.00 8.26 C ATOM 759 C VAL A 367 33.429 19.367 92.812 1.00 8.28 C ATOM 760 O VAL A 367 34.167 18.998 93.725 1.00 9.74 O ATOM 761 CB VAL A 367 33.420 18.283 90.595 1.00 7.11 C ATOM 762 CG1 VAL A 367 33.698 18.451 89.106 1.00 9.74 C ATOM 763 CG2 VAL A 367 34.063 16.992 91.105 1.00 11.85 C ATOM 764 H VAL A 367 35.968 18.991 91.962 1.00 0.00 H ATOM 765 N VAL A 368 32.153 19.663 93.000 1.00 6.96 N ATOM 766 CA VAL A 368 31.536 19.468 94.310 1.00 8.73 C ATOM 767 C VAL A 368 30.080 19.092 94.134 1.00 10.37 C ATOM 768 O VAL A 368 29.387 19.646 93.287 1.00 10.63 O ATOM 769 CB VAL A 368 31.674 20.728 95.207 1.00 7.94 C ATOM 770 CG1 VAL A 368 30.888 21.904 94.637 1.00 10.23 C ATOM 771 CG2 VAL A 368 31.223 20.444 96.644 1.00 9.90 C ATOM 772 H VAL A 368 31.587 20.036 92.212 1.00 0.00 H ATOM 773 N TYR A 369 29.618 18.139 94.933 1.00 9.58 N ATOM 774 CA TYR A 369 28.219 17.755 94.906 1.00 9.96 C ATOM 775 C TYR A 369 27.510 18.381 96.089 1.00 10.89 C ATOM 776 O TYR A 369 27.864 18.113 97.234 1.00 14.37 O ATOM 777 CB TYR A 369 28.063 16.231 94.978 1.00 12.70 C ATOM 778 CG TYR A 369 26.620 15.774 94.882 1.00 11.81 C ATOM 779 CD1 TYR A 369 26.067 15.402 93.662 1.00 14.74 C ATOM 780 CD2 TYR A 369 25.807 15.722 96.013 1.00 15.44 C ATOM 781 CE1 TYR A 369 24.751 14.994 93.570 1.00 19.67 C ATOM 782 CE2 TYR A 369 24.492 15.313 95.928 1.00 20.66 C ATOM 783 CZ TYR A 369 23.970 14.952 94.707 1.00 23.50 C ATOM 784 OH TYR A 369 22.658 14.548 94.623 1.00 31.04 O ATOM 785 HH TYR A 369 22.068 15.280 94.934 1.00 0.00 H ATOM 786 H TYR A 369 30.268 17.660 95.588 1.00 0.00 H ATOM 787 N VAL A 370 26.510 19.208 95.802 1.00 13.79 N ATOM 788 CA VAL A 370 25.710 19.853 96.839 1.00 21.79 C ATOM 789 C VAL A 370 24.284 19.307 96.822 1.00 29.81 C ATOM 790 O VAL A 370 23.756 18.875 97.845 1.00 40.77 O ATOM 791 CB VAL A 370 25.659 21.377 96.631 1.00 18.65 C ATOM 792 CG1 VAL A 370 24.833 22.038 97.734 1.00 26.91 C ATOM 793 CG2 VAL A 370 27.066 21.960 96.582 1.00 19.31 C ATOM 794 OXT VAL A 370 23.629 19.279 95.779 1.00 31.88 O ATOM 795 H VAL A 370 26.290 19.402 94.804 1.00 0.00 H TER 796 VAL A 370 HETATM 797 O HOH 1 38.044 8.917 81.390 1.00 9.17 O HETATM 798 O HOH 2 36.895 18.625 76.083 1.00 8.13 O HETATM 799 O HOH 3 31.941 9.178 86.470 1.00 10.42 O HETATM 800 O HOH 4 30.339 10.078 79.858 1.00 8.01 O HETATM 801 O HOH 5 31.350 16.514 96.617 1.00 10.70 O HETATM 802 O HOH 6 26.170 32.259 77.750 1.00 11.29 O HETATM 803 O HOH 7 31.976 11.529 72.918 1.00 13.52 O HETATM 804 O HOH 8 30.509 28.887 73.348 1.00 11.33 O HETATM 805 O HOH 9 47.051 9.100 79.152 1.00 12.47 O HETATM 806 O HOH 10 41.320 14.446 73.753 1.00 12.14 O HETATM 807 O HOH 11 30.425 26.616 88.170 1.00 15.30 O HETATM 808 O HOH 12 44.142 20.697 76.863 1.00 19.33 O HETATM 809 O HOH 13 29.352 29.708 86.363 1.00 15.01 O HETATM 810 O HOH 14 35.892 25.048 72.470 1.00 12.38 O HETATM 811 O HOH 15 50.259 10.077 81.049 1.00 15.76 O HETATM 812 O HOH 16 44.236 18.577 79.550 1.00 14.53 O HETATM 813 O HOH 17 22.832 11.005 83.097 1.00 16.80 O HETATM 814 O HOH 18 27.501 30.593 88.052 1.00 18.99 O HETATM 815 O HOH 19 26.583 20.491 93.207 1.00 17.02 O HETATM 816 O HOH 20 44.185 6.862 76.829 1.00 14.92 O HETATM 817 O HOH 21 41.159 22.042 87.825 1.00 20.28 O HETATM 818 O HOH 22 34.917 31.909 86.654 1.00 18.11 O HETATM 819 O HOH 23 40.844 30.871 86.134 1.00 19.68 O HETATM 820 O HOH 24 34.924 11.787 92.881 1.00 16.30 O HETATM 821 O HOH 25 39.137 7.076 78.533 1.00 20.48 O HETATM 822 O HOH 26 40.777 5.872 76.712 1.00 17.83 O HETATM 823 O HOH 27 47.017 15.566 78.185 1.00 22.46 O HETATM 824 O HOH 28 25.624 9.560 90.759 1.00 25.89 O HETATM 825 O HOH 29 34.753 5.769 70.424 1.00 19.21 O HETATM 826 O HOH 30 24.216 11.903 91.409 1.00 25.51 O HETATM 827 O HOH 31 30.204 14.308 97.821 1.00 26.14 O HETATM 828 O HOH 32 25.666 23.140 93.221 1.00 24.66 O HETATM 829 O HOH 33 20.704 12.612 83.813 1.00 23.13 O HETATM 830 O HOH 34 50.632 12.522 82.564 1.00 22.48 O HETATM 831 O HOH 35 19.734 19.416 81.606 1.00 26.18 O HETATM 832 O HOH 36 39.964 15.023 95.681 1.00 24.55 O HETATM 833 O HOH 37 44.923 14.178 73.443 1.00 32.52 O HETATM 834 O HOH 38 41.930 22.474 71.984 1.00 35.68 O HETATM 835 O HOH 39 29.958 3.481 85.160 1.00 26.49 O HETATM 836 O HOH 40 31.438 5.826 89.183 1.00 30.60 O HETATM 837 O HOH 41 28.578 38.093 84.124 1.00 31.24 O HETATM 838 O HOH 42 33.926 6.837 72.599 1.00 30.67 O HETATM 839 O HOH 43 25.955 37.812 83.573 1.00 34.45 O HETATM 840 O HOH 44 41.406 23.828 90.052 1.00 38.35 O HETATM 841 O HOH 45 19.570 15.858 85.528 1.00 32.16 O HETATM 842 O HOH 46 30.664 36.166 83.722 1.00 33.57 O HETATM 843 O HOH 47 30.140 39.682 79.950 1.00 37.66 O HETATM 844 O HOH 48 23.998 9.075 84.429 1.00 30.31 O HETATM 845 O HOH 49 20.353 11.113 86.381 1.00 39.00 O HETATM 846 O HOH 50 29.165 5.273 74.528 1.00 28.83 O HETATM 847 O HOH 51 23.489 19.212 92.944 1.00 32.03 O HETATM 848 O HOH 52 38.573 12.424 95.629 1.00 40.38 O HETATM 849 O HOH 53 31.106 5.357 71.466 1.00 30.50 O HETATM 850 O HOH 54 48.284 15.295 83.114 1.00 34.88 O HETATM 851 O HOH 55 24.425 38.822 81.645 1.00 41.96 O HETATM 852 O HOH 56 26.636 3.931 82.295 1.00 36.06 O HETATM 853 O HOH 57 38.282 15.629 98.155 1.00 34.30 O HETATM 854 O HOH 58 45.936 19.632 84.448 1.00 45.64 O HETATM 855 O HOH 59 35.224 32.562 91.811 1.00 42.46 O HETATM 856 O HOH 60 38.591 32.003 85.145 1.00 43.96 O HETATM 857 O HOH 61 21.491 16.742 92.891 1.00 43.48 O HETATM 858 O HOH 62 24.612 36.853 69.036 1.00 44.65 O HETATM 859 O HOH 63 31.666 28.265 94.064 1.00 47.83 O HETATM 860 O HOH 64 18.603 20.005 84.166 1.00 39.81 O HETATM 861 O HOH 65 44.792 25.216 81.488 1.00 43.03 O HETATM 862 O HOH 66 43.361 10.380 71.320 1.00 18.89 O HETATM 863 O HOH 67 39.053 19.491 72.777 1.00 23.66 O HETATM 864 O HOH 68 32.839 5.460 67.897 1.00 34.90 O HETATM 865 O HOH 69 22.114 18.579 87.792 1.00 31.77 O HETATM 866 O HOH 70 20.992 20.563 86.415 1.00 37.86 O HETATM 867 O HOH 71 41.731 26.779 78.249 1.00 34.49 O HETATM 868 O HOH 72 31.269 6.705 69.329 1.00 43.78 O HETATM 869 O HOH 73 30.036 27.226 90.888 1.00 37.37 O HETATM 870 O HOH 74 44.708 21.180 86.783 1.00 38.36 O HETATM 871 O HOH 75 21.913 33.245 92.414 1.00 39.96 O HETATM 872 O HOH 76 45.965 11.809 72.058 1.00 45.39 O HETATM 873 O HOH 77 29.841 26.968 93.305 1.00 45.71 O HETATM 874 O HOH 78 39.948 18.922 96.467 1.00 45.94 O HETATM 875 O HOH 79 49.051 14.853 79.668 1.00 43.93 O HETATM 876 O HOH 80 44.645 28.149 88.339 1.00 46.04 O HETATM 877 O HOH 81 23.277 29.619 92.644 1.00 40.22 O HETATM 878 O HOH 82 28.783 29.627 90.527 1.00 36.26 O HETATM 879 O HOH 83 23.939 21.048 72.796 1.00 7.56 O HETATM 880 O HOH 84 26.094 26.463 74.128 1.00 9.32 O HETATM 881 O HOH 85 32.803 19.185 73.643 1.00 9.96 O HETATM 882 O HOH 86 23.723 27.824 74.362 1.00 21.37 O HETATM 883 O HOH 87 17.704 23.203 79.930 1.00 23.87 O HETATM 884 O HOH 88 28.154 14.259 75.617 1.00 16.09 O HETATM 885 O HOH 89 22.291 20.268 70.506 1.00 25.55 O HETATM 886 O HOH 90 18.727 24.330 76.374 1.00 23.65 O HETATM 887 O HOH 91 9.986 31.855 82.668 1.00 25.44 O HETATM 888 O HOH 92 20.048 18.461 75.703 1.00 32.33 O HETATM 889 O HOH 93 21.187 20.558 74.699 1.00 38.91 O HETATM 890 N SER A 94 13.853 25.156 82.261 1.00 0.24 N HETATM 891 CA SER A 94 13.520 25.687 80.942 1.00 0.09 C HETATM 892 C SER A 94 14.144 27.063 80.703 1.00 0.23 C HETATM 893 O SER A 94 14.601 27.364 79.596 1.00 -0.39 O HETATM 894 N SER A 94 14.157 27.895 81.742 1.00 -0.26 N HETATM 895 CA SER A 94 14.794 29.204 81.666 1.00 0.13 C HETATM 896 C SER A 94 16.297 29.037 81.479 1.00 0.20 C HETATM 897 O SER A 94 16.957 29.876 80.864 1.00 -0.39 O HETATM 898 N SER A 94 16.826 27.947 82.029 1.00 -0.26 N HETATM 899 CA SER A 94 18.263 27.726 82.057 1.00 0.13 C HETATM 900 C SER A 94 18.670 26.733 80.970 1.00 0.21 C HETATM 901 O SER A 94 18.100 25.648 80.869 1.00 -0.39 O HETATM 902 N SER A 94 19.655 27.110 80.147 1.00 -0.25 N HETATM 903 CA SER A 94 20.057 26.291 78.998 1.00 0.13 C HETATM 904 C SER A 94 20.870 25.050 79.380 1.00 0.20 C HETATM 905 O SER A 94 21.510 25.014 80.435 1.00 -0.39 O HETATM 906 N SER A 94 20.829 24.056 78.499 1.00 -0.26 N HETATM 907 CA SER A 94 21.631 22.845 78.622 1.00 0.16 C HETATM 908 C SER A 94 22.420 22.674 77.343 1.00 0.21 C HETATM 909 O SER A 94 21.884 22.877 76.248 1.00 -0.39 O HETATM 910 N SER A 94 23.687 22.285 77.467 1.00 -0.26 N HETATM 911 CA SER A 94 24.502 21.969 76.298 1.00 0.15 C HETATM 912 C SER A 94 25.108 20.588 76.468 1.00 0.21 C HETATM 913 O SER A 94 25.550 20.228 77.562 1.00 -0.39 O HETATM 914 N SER A 94 25.116 19.821 75.383 1.00 -0.26 N HETATM 915 CA SER A 94 25.768 18.517 75.327 1.00 0.13 C HETATM 916 C SER A 94 27.208 18.763 74.896 1.00 0.20 C HETATM 917 O SER A 94 27.436 19.414 73.871 1.00 -0.39 O HETATM 918 N SER A 94 28.177 18.262 75.668 1.00 -0.27 N HETATM 919 CA SER A 94 29.598 18.523 75.407 1.00 0.10 C HETATM 920 C SER A 94 30.501 17.304 75.628 1.00 0.06 C HETATM 921 O SER A 94 30.077 16.243 76.104 1.00 -0.57 O HETATM 922 OXT SER A 94 31.699 17.368 75.331 1.00 -0.57 O HETATM 923 CB SER A 94 30.147 19.697 76.268 1.00 -0.01 C HETATM 924 CG1 SER A 94 30.067 19.383 77.763 1.00 -0.05 C HETATM 925 CD1 SER A 94 30.757 20.443 78.632 1.00 -0.06 C HETATM 926 H SER A 94 30.667 20.164 79.692 1.00 0.02 H HETATM 927 H SER A 94 30.278 21.420 78.468 1.00 0.02 H HETATM 928 H SER A 94 31.821 20.506 78.359 1.00 0.02 H HETATM 929 H SER A 94 30.550 18.412 77.944 1.00 0.03 H HETATM 930 H SER A 94 29.008 19.326 78.054 1.00 0.03 H HETATM 931 CG2 SER A 94 29.415 21.005 75.954 1.00 -0.06 C HETATM 932 H SER A 94 29.483 21.214 74.876 1.00 0.02 H HETATM 933 H SER A 94 29.878 21.829 76.517 1.00 0.02 H HETATM 934 H SER A 94 28.358 20.912 76.243 1.00 0.02 H HETATM 935 H SER A 94 31.207 19.833 76.009 1.00 0.03 H HETATM 936 H SER A 94 29.680 18.811 74.349 1.00 0.07 H HETATM 937 H SER A 94 27.926 17.691 76.449 1.00 0.19 H HETATM 938 CB SER A 94 25.086 17.605 74.278 1.00 -0.00 C HETATM 939 CG1 SER A 94 23.604 17.416 74.602 1.00 -0.05 C HETATM 940 CD1 SER A 94 22.792 16.831 73.437 1.00 -0.06 C HETATM 941 H SER A 94 21.740 16.723 73.741 1.00 0.02 H HETATM 942 H SER A 94 23.198 15.845 73.166 1.00 0.02 H HETATM 943 H SER A 94 22.856 17.505 72.570 1.00 0.02 H HETATM 944 H SER A 94 23.178 18.395 74.866 1.00 0.03 H HETATM 945 H SER A 94 23.520 16.735 75.462 1.00 0.03 H HETATM 946 CG2 SER A 94 25.787 16.265 74.203 1.00 -0.06 C HETATM 947 H SER A 94 26.851 16.420 73.969 1.00 0.02 H HETATM 948 H SER A 94 25.324 15.653 73.415 1.00 0.02 H HETATM 949 H SER A 94 25.696 15.749 75.170 1.00 0.02 H HETATM 950 H SER A 94 25.165 18.092 73.295 1.00 0.03 H HETATM 951 H SER A 94 25.737 18.035 76.315 1.00 0.08 H HETATM 952 H SER A 94 24.651 20.155 74.563 1.00 0.19 H HETATM 953 CB SER A 94 25.626 22.991 76.110 1.00 0.08 C HETATM 954 OG SER A 94 25.113 24.268 75.752 1.00 -0.39 O HETATM 955 H SER A 94 24.534 24.579 76.438 1.00 0.21 H HETATM 956 H SER A 94 26.299 22.640 75.314 1.00 0.06 H HETATM 957 H SER A 94 26.188 23.082 77.051 1.00 0.06 H HETATM 958 H SER A 94 23.860 21.977 75.404 1.00 0.08 H HETATM 959 H SER A 94 24.089 22.208 78.379 1.00 0.19 H HETATM 960 CB SER A 94 20.739 21.620 78.802 1.00 0.09 C HETATM 961 OG1 SER A 94 19.991 21.768 80.012 1.00 -0.39 O HETATM 962 H SER A 94 19.456 22.551 79.959 1.00 0.21 H HETATM 963 CG2 SER A 94 21.576 20.333 78.878 1.00 -0.03 C HETATM 964 H SER A 94 20.908 19.468 79.007 1.00 0.03 H HETATM 965 H SER A 94 22.266 20.394 79.732 1.00 0.03 H HETATM 966 H SER A 94 22.152 20.215 77.949 1.00 0.03 H HETATM 967 H SER A 94 20.048 21.549 77.949 1.00 0.06 H HETATM 968 H SER A 94 22.313 22.936 79.481 1.00 0.08 H HETATM 969 H SER A 94 20.218 24.143 77.713 1.00 0.19 H HETATM 970 CB SER A 94 20.930 27.251 78.182 1.00 -0.01 C HETATM 971 CG SER A 94 21.523 28.157 79.205 1.00 -0.03 C HETATM 972 CD SER A 94 20.428 28.361 80.230 1.00 0.04 C HETATM 973 H SER A 94 20.850 28.498 81.237 1.00 0.05 H HETATM 974 H SER A 94 19.803 29.229 79.973 1.00 0.05 H HETATM 975 H SER A 94 21.811 29.117 78.751 1.00 0.03 H HETATM 976 H SER A 94 22.405 27.691 79.669 1.00 0.03 H HETATM 977 H SER A 94 20.321 27.819 77.463 1.00 0.03 H HETATM 978 H SER A 94 21.716 26.702 77.643 1.00 0.03 H HETATM 979 H SER A 94 19.172 25.976 78.426 1.00 0.08 H HETATM 980 CB SER A 94 18.710 27.214 83.433 1.00 -0.01 C HETATM 981 CG1 SER A 94 20.220 27.089 83.485 1.00 -0.06 C HETATM 982 H SER A 94 20.523 26.721 84.476 1.00 0.02 H HETATM 983 H SER A 94 20.676 28.073 83.304 1.00 0.02 H HETATM 984 H SER A 94 20.556 26.381 82.713 1.00 0.02 H HETATM 985 CG2 SER A 94 18.215 28.151 84.540 1.00 -0.06 C HETATM 986 H SER A 94 17.119 28.232 84.489 1.00 0.02 H HETATM 987 H SER A 94 18.662 29.147 84.405 1.00 0.02 H HETATM 988 H SER A 94 18.508 27.747 85.520 1.00 0.02 H HETATM 989 H SER A 94 18.271 26.219 83.595 1.00 0.03 H HETATM 990 H SER A 94 18.766 28.685 81.862 1.00 0.08 H HETATM 991 H SER A 94 16.220 27.262 82.433 1.00 0.19 H HETATM 992 CB SER A 94 14.533 30.008 82.946 1.00 -0.01 C HETATM 993 CG SER A 94 13.123 30.574 83.059 1.00 -0.02 C HETATM 994 CD SER A 94 12.803 31.016 84.482 1.00 0.06 C HETATM 995 NE SER A 94 13.506 32.233 84.883 1.00 -0.27 N HETATM 996 CZ SER A 94 13.017 33.466 84.749 1.00 0.29 C HETATM 997 NH1 SER A 94 11.817 33.666 84.212 1.00 -0.28 N HETATM 998 H SER A 94 11.450 34.623 84.114 1.00 0.26 H HETATM 999 H SER A 94 11.255 32.864 83.894 1.00 0.26 H HETATM 1000 NH2 SER A 94 13.730 34.506 85.157 1.00 -0.28 N HETATM 1001 H SER A 94 14.661 34.361 85.574 1.00 0.26 H HETATM 1002 H SER A 94 13.354 35.460 85.057 1.00 0.26 H HETATM 1003 H SER A 94 14.443 32.131 85.297 1.00 0.26 H HETATM 1004 H SER A 94 13.086 30.206 85.171 1.00 0.07 H HETATM 1005 H SER A 94 11.721 31.198 84.556 1.00 0.07 H HETATM 1006 H SER A 94 12.403 29.799 82.756 1.00 0.03 H HETATM 1007 H SER A 94 13.033 31.441 82.388 1.00 0.03 H HETATM 1008 H SER A 94 15.244 30.847 82.976 1.00 0.03 H HETATM 1009 H SER A 94 14.709 29.348 83.808 1.00 0.03 H HETATM 1010 H SER A 94 14.381 29.753 80.807 1.00 0.08 H HETATM 1011 H SER A 94 13.719 27.615 82.596 1.00 0.19 H HETATM 1012 CB SER A 94 12.000 25.747 80.755 1.00 0.10 C HETATM 1013 OG SER A 94 11.650 26.519 79.616 1.00 -0.39 O HETATM 1014 H SER A 94 10.704 26.538 79.526 1.00 0.21 H HETATM 1015 H SER A 94 11.547 26.201 81.648 1.00 0.06 H HETATM 1016 H SER A 94 11.614 24.725 80.627 1.00 0.06 H HETATM 1017 H SER A 94 13.929 24.997 80.189 1.00 0.11 H HETATM 1018 H SER A 94 13.424 24.251 82.377 1.00 0.20 H HETATM 1019 H SER A 94 13.512 25.784 82.972 1.00 0.20 H HETATM 1020 H SER A 94 14.854 25.066 82.344 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 890 891 1018 1019 1020 CONECT 891 890 892 1012 1017 CONECT 892 891 893 894 CONECT 893 892 CONECT 894 892 895 1011 CONECT 895 894 896 992 1010 CONECT 896 895 897 898 CONECT 897 896 CONECT 898 896 899 991 CONECT 899 898 900 980 990 CONECT 900 899 901 902 CONECT 901 900 CONECT 902 900 903 972 CONECT 903 902 904 970 979 CONECT 904 903 905 906 CONECT 905 904 CONECT 906 904 907 969 CONECT 907 906 908 960 968 CONECT 908 907 909 910 CONECT 909 908 CONECT 910 908 911 959 CONECT 911 910 912 953 958 CONECT 912 911 913 914 CONECT 913 912 CONECT 914 912 915 952 CONECT 915 914 916 938 951 CONECT 916 915 917 918 CONECT 917 916 CONECT 918 916 919 937 CONECT 919 918 920 923 936 CONECT 920 919 921 922 CONECT 921 920 CONECT 922 920 CONECT 923 919 924 931 935 CONECT 924 923 925 929 930 CONECT 925 924 926 927 928 CONECT 926 925 CONECT 927 925 CONECT 928 925 CONECT 929 924 CONECT 930 924 CONECT 931 923 932 933 934 CONECT 932 931 CONECT 933 931 CONECT 934 931 CONECT 935 923 CONECT 936 919 CONECT 937 918 CONECT 938 915 939 946 950 CONECT 939 938 940 944 945 CONECT 940 939 941 942 943 CONECT 941 940 CONECT 942 940 CONECT 943 940 CONECT 944 939 CONECT 945 939 CONECT 946 938 947 948 949 CONECT 947 946 CONECT 948 946 CONECT 949 946 CONECT 950 938 CONECT 951 915 CONECT 952 914 CONECT 953 911 954 956 957 CONECT 954 953 955 CONECT 955 954 CONECT 956 953 CONECT 957 953 CONECT 958 911 CONECT 959 910 CONECT 960 907 961 963 967 CONECT 961 960 962 CONECT 962 961 CONECT 963 960 964 965 966 CONECT 964 963 CONECT 965 963 CONECT 966 963 CONECT 967 960 CONECT 968 907 CONECT 969 906 CONECT 970 903 971 977 978 CONECT 971 970 972 975 976 CONECT 972 902 971 973 974 CONECT 973 972 CONECT 974 972 CONECT 975 971 CONECT 976 971 CONECT 977 970 CONECT 978 970 CONECT 979 903 CONECT 980 899 981 985 989 CONECT 981 980 982 983 984 CONECT 982 981 CONECT 983 981 CONECT 984 981 CONECT 985 980 986 987 988 CONECT 986 985 CONECT 987 985 CONECT 988 985 CONECT 989 980 CONECT 990 899 CONECT 991 898 CONECT 992 895 993 1008 1009 CONECT 993 992 994 1006 1007 CONECT 994 993 995 1004 1005 CONECT 995 994 996 1003 CONECT 996 995 997 1000 CONECT 997 996 998 999 CONECT 998 997 CONECT 999 997 CONECT 1000 996 1001 1002 CONECT 1001 1000 CONECT 1002 1000 CONECT 1003 995 CONECT 1004 994 CONECT 1005 994 CONECT 1006 993 CONECT 1007 993 CONECT 1008 992 CONECT 1009 992 CONECT 1010 895 CONECT 1011 894 CONECT 1012 891 1013 1015 1016 CONECT 1013 1012 1014 CONECT 1014 1013 CONECT 1015 1012 CONECT 1016 1012 CONECT 1017 891 CONECT 1018 890 CONECT 1019 890 CONECT 1020 890 MASTER 0 0 0 0 0 0 0 0 1019 1 135 7 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4jog
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%
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%
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
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
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
4jog
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
CFTR Associated Ligand (CAL) PDZ domain
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.47(Å)
Affinity (Kd/Ki/IC50)
Ki=190uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Structure Vol. 22: pp. 82-93
Ligand Properties
Formula
C
3
8
H
7
1
N
1
1
O
1
2
Molecular Weight
874.037
Exact Mass
873.528
No. of atoms
132
No. of bonds
132
Polar Surface Area
386.55
LOGP Value
-1.79 (
Computed with XLOGP3
)
-3.49 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 35
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 1
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]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)[NH3+])CCC[NH+]=C(N)N
InChI String
InChI=1S/C38H69N11O12/c1-8-19(5)27(34(57)47-28(37(60)61)20(6)9-2)46-32(55)24(17-51)44-35(58)29(21(7)52)48-33(56)25-13-11-15-49(25)36(59)26(18(3)4)45-31(54)23(12-10-14-42-38(40)41)43-30(53)22(39)16-50/h18-29,50-52H,8-17,39H2,1-7H3,(H,43,53)(H,44,58)(H,45,54)(H,46,55)(H,47,57)(H,48,56)(H,60,61)(H4,40,41,42)/p+2/t19-,20-,21+,22-,23-,24-,25-,26-,27-,28-,29-/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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