Browse entries in the PDBbind-CN Database
HEADER 2G6Q_COMPLEX COMPND 2G6Q_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 52 GLU PRO THR TYR CYS LEU CYS ASN GLN VAL SER TYR GLY SEQRES 2 A 52 GLU MET ILE GLY CYS ASP ASN GLU GLN CYS PRO ILE GLU SEQRES 3 A 52 TRP PHE HIS PHE SER CYS VAL SER LEU THR TYR LYS PRO SEQRES 4 A 52 LYS GLY LYS TRP TYR CYS PRO LYS CYS ARG GLY ASP ASN HET ZN A 1 1 HET ZN A 2 1 HET ALA A 87 148 ATOM 1 N GLU A 212 16.309 36.263 8.739 1.00 41.90 N ATOM 2 CA GLU A 212 17.012 37.515 9.140 1.00 42.16 C ATOM 3 C GLU A 212 16.078 38.455 9.918 1.00 38.58 C ATOM 4 O GLU A 212 16.427 38.916 10.999 1.00 36.91 O ATOM 5 CB GLU A 212 17.575 38.228 7.902 1.00 45.46 C ATOM 6 CG GLU A 212 18.404 39.482 8.193 1.00 53.38 C ATOM 7 CD GLU A 212 19.715 39.186 8.915 1.00 58.04 C ATOM 8 OE1 GLU A 212 20.500 38.357 8.412 1.00 59.16 O ATOM 9 OE2 GLU A 212 19.968 39.787 9.982 1.00 60.22 O ATOM 10 HA GLU A 212 17.837 37.242 9.798 1.00 0.00 H ATOM 11 HB2 GLU A 212 18.208 37.522 7.365 1.00 0.00 H ATOM 12 HB3 GLU A 212 16.736 38.517 7.269 1.00 0.00 H ATOM 13 HG2 GLU A 212 18.633 39.973 7.247 1.00 0.00 H ATOM 14 HG3 GLU A 212 17.811 40.153 8.814 1.00 0.00 H ATOM 15 HN3 GLU A 212 15.498 36.501 8.133 1.00 0.00 H ATOM 16 HN2 GLU A 212 15.974 35.768 9.590 1.00 0.00 H ATOM 17 HN1 GLU A 212 16.966 35.650 8.216 1.00 0.00 H ATOM 18 N PRO A 213 14.877 38.745 9.380 1.00 35.06 N ATOM 19 CA PRO A 213 13.934 39.636 10.071 1.00 33.10 C ATOM 20 C PRO A 213 13.461 39.036 11.398 1.00 32.00 C ATOM 21 O PRO A 213 13.185 37.842 11.477 1.00 31.64 O ATOM 22 CB PRO A 213 12.783 39.766 9.074 1.00 32.34 C ATOM 23 CG PRO A 213 13.438 39.535 7.754 1.00 33.25 C ATOM 24 CD PRO A 213 14.364 38.386 8.048 1.00 34.23 C ATOM 25 HA PRO A 213 14.376 40.595 10.340 1.00 0.00 H ATOM 26 HD3 PRO A 213 13.826 37.438 8.072 1.00 0.00 H ATOM 27 HD2 PRO A 213 15.169 38.327 7.315 1.00 0.00 H ATOM 28 HG3 PRO A 213 13.993 40.415 7.429 1.00 0.00 H ATOM 29 HG2 PRO A 213 12.706 39.267 6.992 1.00 0.00 H ATOM 30 HB2 PRO A 213 12.015 39.016 9.265 1.00 0.00 H ATOM 31 HB3 PRO A 213 12.338 40.760 9.120 1.00 0.00 H ATOM 32 N THR A 214 13.366 39.869 12.430 1.00 31.21 N ATOM 33 CA THR A 214 12.922 39.417 13.746 1.00 30.17 C ATOM 34 C THR A 214 11.591 40.092 14.069 1.00 29.93 C ATOM 35 O THR A 214 11.285 41.165 13.553 1.00 30.49 O ATOM 36 CB THR A 214 13.941 39.777 14.835 1.00 30.91 C ATOM 37 OG1 THR A 214 14.168 41.193 14.832 1.00 30.48 O ATOM 38 CG2 THR A 214 15.255 39.047 14.588 1.00 31.32 C ATOM 39 HA THR A 214 12.816 38.332 13.724 1.00 0.00 H ATOM 40 HB THR A 214 13.545 39.474 15.804 1.00 0.00 H ATOM 41 HG1 THR A 214 13.315 41.663 15.010 1.00 0.00 H ATOM 42 HG23 THR A 214 15.078 37.972 14.591 1.00 0.00 H ATOM 43 HG21 THR A 214 15.660 39.347 13.621 1.00 0.00 H ATOM 44 HG22 THR A 214 15.964 39.302 15.375 1.00 0.00 H ATOM 45 H THR A 214 13.615 40.870 12.296 1.00 0.00 H ATOM 46 N TYR A 215 10.805 39.457 14.932 1.00 28.32 N ATOM 47 CA TYR A 215 9.503 39.993 15.303 1.00 27.00 C ATOM 48 C TYR A 215 9.243 39.726 16.783 1.00 26.44 C ATOM 49 O TYR A 215 10.137 39.312 17.528 1.00 26.80 O ATOM 50 CB TYR A 215 8.403 39.310 14.479 1.00 27.09 C ATOM 51 CG TYR A 215 8.631 39.327 12.983 1.00 27.48 C ATOM 52 CD1 TYR A 215 9.390 38.335 12.356 1.00 26.21 C ATOM 53 CD2 TYR A 215 8.099 40.345 12.193 1.00 25.41 C ATOM 54 CE1 TYR A 215 9.610 38.362 10.977 1.00 26.70 C ATOM 55 CE2 TYR A 215 8.315 40.380 10.820 1.00 26.63 C ATOM 56 CZ TYR A 215 9.068 39.391 10.218 1.00 25.91 C ATOM 57 OH TYR A 215 9.270 39.438 8.856 1.00 28.50 O ATOM 58 HA TYR A 215 9.495 41.066 15.110 1.00 0.00 H ATOM 59 HB3 TYR A 215 7.460 39.817 14.685 1.00 0.00 H ATOM 60 HB2 TYR A 215 8.333 38.271 14.800 1.00 0.00 H ATOM 61 HD2 TYR A 215 7.502 41.128 12.661 1.00 0.00 H ATOM 62 HE2 TYR A 215 7.891 41.186 10.220 1.00 0.00 H ATOM 63 HE1 TYR A 215 10.203 37.581 10.500 1.00 0.00 H ATOM 64 HD1 TYR A 215 9.817 37.528 12.952 1.00 0.00 H ATOM 65 HH TYR A 215 9.825 38.666 8.579 1.00 0.00 H ATOM 66 H TYR A 215 11.126 38.560 15.350 1.00 0.00 H ATOM 67 N CYS A 216 8.007 40.000 17.192 1.00 24.25 N ATOM 68 CA CYS A 216 7.528 39.745 18.551 1.00 25.31 C ATOM 69 C CYS A 216 8.272 40.566 19.618 1.00 26.11 C ATOM 70 O CYS A 216 9.070 41.450 19.312 1.00 27.34 O ATOM 71 CB CYS A 216 7.660 38.251 18.844 1.00 22.40 C ATOM 72 SG CYS A 216 6.657 37.668 20.193 1.00 20.38 S ATOM 73 HA CYS A 216 6.485 40.058 18.601 1.00 0.00 H ATOM 74 HB2 CYS A 216 8.703 38.042 19.081 1.00 0.00 H ATOM 75 HB3 CYS A 216 7.375 37.702 17.946 1.00 0.00 H ATOM 76 HG CYS A 216 6.859 36.313 20.362 1.00 0.00 H ATOM 77 H CYS A 216 7.345 40.419 16.508 1.00 0.00 H ATOM 78 N LEU A 217 7.982 40.253 20.878 1.00 27.76 N ATOM 79 CA LEU A 217 8.591 40.933 22.027 1.00 29.93 C ATOM 80 C LEU A 217 9.975 40.336 22.282 1.00 29.93 C ATOM 81 O LEU A 217 10.849 40.994 22.841 1.00 31.48 O ATOM 82 CB LEU A 217 7.758 40.711 23.289 1.00 30.74 C ATOM 83 CG LEU A 217 6.236 40.673 23.196 1.00 33.41 C ATOM 84 CD1 LEU A 217 5.735 39.406 23.865 1.00 35.20 C ATOM 85 CD2 LEU A 217 5.642 41.897 23.851 1.00 35.67 C ATOM 86 HA LEU A 217 8.649 41.998 21.804 1.00 0.00 H ATOM 87 HB2 LEU A 217 8.073 39.757 23.711 1.00 0.00 H ATOM 88 HB3 LEU A 217 8.012 41.514 23.981 1.00 0.00 H ATOM 89 HG LEU A 217 5.929 40.672 22.150 1.00 0.00 H ATOM 90 HD21 LEU A 217 5.935 41.924 24.901 1.00 0.00 H ATOM 91 HD22 LEU A 217 6.008 42.791 23.347 1.00 0.00 H ATOM 92 HD23 LEU A 217 4.555 41.856 23.777 1.00 0.00 H ATOM 93 HD11 LEU A 217 6.158 38.538 23.359 1.00 0.00 H ATOM 94 HD12 LEU A 217 6.041 39.403 24.911 1.00 0.00 H ATOM 95 HD13 LEU A 217 4.647 39.370 23.804 1.00 0.00 H ATOM 96 H LEU A 217 7.294 39.494 21.056 1.00 0.00 H ATOM 97 N CYS A 218 10.157 39.083 21.879 1.00 29.56 N ATOM 98 CA CYS A 218 11.420 38.371 22.094 1.00 29.71 C ATOM 99 C CYS A 218 12.453 38.788 21.053 1.00 32.03 C ATOM 100 O CYS A 218 13.646 38.539 21.223 1.00 32.99 O ATOM 101 CB CYS A 218 11.183 36.869 21.991 1.00 28.39 C ATOM 102 SG CYS A 218 10.610 36.392 20.355 1.00 23.80 S ATOM 103 HA CYS A 218 11.796 38.621 23.086 1.00 0.00 H ATOM 104 HB2 CYS A 218 10.432 36.579 22.726 1.00 0.00 H ATOM 105 HB3 CYS A 218 12.117 36.349 22.203 1.00 0.00 H ATOM 106 HG CYS A 218 10.412 35.027 20.319 1.00 0.00 H ATOM 107 H CYS A 218 9.378 38.592 21.395 1.00 0.00 H ATOM 108 N ASN A 219 11.990 39.407 19.974 1.00 34.02 N ATOM 109 CA ASN A 219 12.872 39.854 18.895 1.00 34.82 C ATOM 110 C ASN A 219 13.622 38.672 18.289 1.00 33.10 C ATOM 111 O ASN A 219 14.828 38.742 18.061 1.00 30.43 O ATOM 112 CB ASN A 219 13.861 40.903 19.404 1.00 41.18 C ATOM 113 CG ASN A 219 13.379 42.312 19.149 1.00 50.24 C ATOM 114 OD1 ASN A 219 13.294 42.749 17.999 1.00 55.29 O ATOM 115 ND2 ASN A 219 13.044 43.030 20.216 1.00 55.32 N ATOM 116 HA ASN A 219 12.255 40.308 18.120 1.00 0.00 H ATOM 117 HB2 ASN A 219 13.997 40.767 20.477 1.00 0.00 H ATOM 118 HB3 ASN A 219 14.816 40.761 18.897 1.00 0.00 H ATOM 119 HD22 ASN A 219 13.132 42.620 21.168 1.00 0.00 H ATOM 120 HD21 ASN A 219 12.694 44.002 20.099 1.00 0.00 H ATOM 121 H ASN A 219 10.968 39.580 19.893 1.00 0.00 H ATOM 122 N GLN A 220 12.897 37.590 18.029 1.00 29.50 N ATOM 123 CA GLN A 220 13.483 36.399 17.420 1.00 26.15 C ATOM 124 C GLN A 220 12.891 36.270 16.012 1.00 24.74 C ATOM 125 O GLN A 220 11.900 36.928 15.682 1.00 21.34 O ATOM 126 CB GLN A 220 13.156 35.148 18.245 1.00 26.40 C ATOM 127 CG GLN A 220 13.778 35.118 19.636 1.00 30.56 C ATOM 128 CD GLN A 220 15.293 35.259 19.615 1.00 32.96 C ATOM 129 OE1 GLN A 220 15.988 34.531 18.910 1.00 33.57 O ATOM 130 NE2 GLN A 220 15.809 36.198 20.400 1.00 34.61 N ATOM 131 HA GLN A 220 14.568 36.490 17.381 1.00 0.00 H ATOM 132 HB2 GLN A 220 12.073 35.088 18.356 1.00 0.00 H ATOM 133 HB3 GLN A 220 13.512 34.277 17.695 1.00 0.00 H ATOM 134 HG2 GLN A 220 13.361 35.938 20.221 1.00 0.00 H ATOM 135 HG3 GLN A 220 13.524 34.170 20.110 1.00 0.00 H ATOM 136 HE22 GLN A 220 15.183 36.792 20.981 1.00 0.00 H ATOM 137 HE21 GLN A 220 16.839 36.339 20.434 1.00 0.00 H ATOM 138 H GLN A 220 11.884 37.591 18.266 1.00 0.00 H ATOM 139 N VAL A 221 13.499 35.430 15.182 1.00 23.61 N ATOM 140 CA VAL A 221 13.011 35.246 13.821 1.00 22.74 C ATOM 141 C VAL A 221 11.636 34.581 13.868 1.00 21.88 C ATOM 142 O VAL A 221 11.184 34.113 14.916 1.00 18.89 O ATOM 143 CB VAL A 221 13.971 34.374 12.979 1.00 23.56 C ATOM 144 CG1 VAL A 221 15.308 35.080 12.827 1.00 25.62 C ATOM 145 CG2 VAL A 221 14.150 33.017 13.631 1.00 25.38 C ATOM 146 HA VAL A 221 12.948 36.227 13.349 1.00 0.00 H ATOM 147 HB VAL A 221 13.544 34.223 11.988 1.00 0.00 H ATOM 148 HG11 VAL A 221 15.157 36.037 12.327 1.00 0.00 H ATOM 149 HG12 VAL A 221 15.743 35.248 13.812 1.00 0.00 H ATOM 150 HG13 VAL A 221 15.979 34.460 12.233 1.00 0.00 H ATOM 151 HG21 VAL A 221 14.567 33.147 14.630 1.00 0.00 H ATOM 152 HG22 VAL A 221 13.183 32.519 13.702 1.00 0.00 H ATOM 153 HG23 VAL A 221 14.828 32.412 13.029 1.00 0.00 H ATOM 154 H VAL A 221 14.332 34.898 15.507 1.00 0.00 H ATOM 155 N SER A 222 10.978 34.546 12.718 1.00 20.48 N ATOM 156 CA SER A 222 9.658 33.955 12.618 1.00 21.94 C ATOM 157 C SER A 222 9.771 32.430 12.764 1.00 20.70 C ATOM 158 O SER A 222 10.688 31.816 12.231 1.00 19.84 O ATOM 159 CB SER A 222 9.044 34.312 11.263 1.00 22.85 C ATOM 160 OG SER A 222 7.730 33.804 11.148 1.00 27.84 O ATOM 161 HA SER A 222 9.018 34.341 13.411 1.00 0.00 H ATOM 162 HB2 SER A 222 9.660 33.888 10.470 1.00 0.00 H ATOM 163 HB3 SER A 222 9.017 35.397 11.159 1.00 0.00 H ATOM 164 HG SER A 222 7.750 32.818 11.237 1.00 0.00 H ATOM 165 H SER A 222 11.419 34.952 11.868 1.00 0.00 H ATOM 166 N TYR A 223 8.842 31.836 13.510 1.00 20.34 N ATOM 167 CA TYR A 223 8.807 30.381 13.696 1.00 18.78 C ATOM 168 C TYR A 223 7.408 29.995 14.175 1.00 18.82 C ATOM 169 O TYR A 223 6.739 30.777 14.853 1.00 16.87 O ATOM 170 CB TYR A 223 9.885 29.917 14.695 1.00 19.14 C ATOM 171 CG TYR A 223 9.718 30.372 16.136 1.00 18.58 C ATOM 172 CD1 TYR A 223 8.731 29.823 16.959 1.00 19.10 C ATOM 173 CD2 TYR A 223 10.570 31.335 16.684 1.00 18.56 C ATOM 174 CE1 TYR A 223 8.597 30.221 18.292 1.00 19.86 C ATOM 175 CE2 TYR A 223 10.447 31.738 18.016 1.00 19.37 C ATOM 176 CZ TYR A 223 9.458 31.178 18.812 1.00 21.09 C ATOM 177 OH TYR A 223 9.325 31.582 20.122 1.00 20.92 O ATOM 178 HA TYR A 223 9.025 29.885 12.750 1.00 0.00 H ATOM 179 HB3 TYR A 223 10.847 30.288 14.340 1.00 0.00 H ATOM 180 HB2 TYR A 223 9.893 28.827 14.691 1.00 0.00 H ATOM 181 HD2 TYR A 223 11.345 31.780 16.060 1.00 0.00 H ATOM 182 HE2 TYR A 223 11.123 32.487 18.427 1.00 0.00 H ATOM 183 HE1 TYR A 223 7.821 29.783 18.920 1.00 0.00 H ATOM 184 HD1 TYR A 223 8.054 29.071 16.554 1.00 0.00 H ATOM 185 HH TYR A 223 8.578 31.088 20.544 1.00 0.00 H ATOM 186 H TYR A 223 8.119 32.421 13.975 1.00 0.00 H ATOM 187 N GLY A 224 6.962 28.801 13.795 1.00 19.37 N ATOM 188 CA GLY A 224 5.643 28.333 14.192 1.00 19.78 C ATOM 189 C GLY A 224 4.530 29.249 13.717 1.00 21.63 C ATOM 190 O GLY A 224 4.666 29.923 12.688 1.00 21.21 O ATOM 191 HA3 GLY A 224 5.606 28.274 15.280 1.00 0.00 H ATOM 192 HA2 GLY A 224 5.483 27.341 13.770 1.00 0.00 H ATOM 193 H GLY A 224 7.565 28.193 13.205 1.00 0.00 H ATOM 194 N GLU A 225 3.427 29.275 14.462 1.00 21.09 N ATOM 195 CA GLU A 225 2.288 30.128 14.115 1.00 22.04 C ATOM 196 C GLU A 225 2.491 31.483 14.781 1.00 21.86 C ATOM 197 O GLU A 225 2.884 31.563 15.944 1.00 18.55 O ATOM 198 CB GLU A 225 0.976 29.545 14.629 1.00 24.11 C ATOM 199 CG GLU A 225 0.759 28.078 14.354 1.00 30.11 C ATOM 200 CD GLU A 225 -0.658 27.652 14.690 1.00 31.76 C ATOM 201 OE1 GLU A 225 -1.587 28.076 13.969 1.00 33.83 O ATOM 202 OE2 GLU A 225 -0.843 26.910 15.678 1.00 31.95 O ATOM 203 HA GLU A 225 2.234 30.209 13.029 1.00 0.00 H ATOM 204 HB2 GLU A 225 0.944 29.692 15.709 1.00 0.00 H ATOM 205 HB3 GLU A 225 0.159 30.097 14.164 1.00 0.00 H ATOM 206 HG2 GLU A 225 0.946 27.884 13.298 1.00 0.00 H ATOM 207 HG3 GLU A 225 1.456 27.497 14.958 1.00 0.00 H ATOM 208 H GLU A 225 3.373 28.676 15.310 1.00 0.00 H ATOM 209 N MET A 226 2.207 32.545 14.041 1.00 20.62 N ATOM 210 CA MET A 226 2.351 33.888 14.574 1.00 19.86 C ATOM 211 C MET A 226 1.053 34.638 14.335 1.00 18.87 C ATOM 212 O MET A 226 0.326 34.352 13.391 1.00 18.85 O ATOM 213 CB MET A 226 3.532 34.587 13.939 1.00 23.34 C ATOM 214 CG MET A 226 4.860 33.949 14.301 1.00 27.85 C ATOM 215 SD MET A 226 6.277 34.873 13.646 1.00 34.55 S ATOM 216 CE MET A 226 6.212 36.352 14.647 1.00 29.04 C ATOM 217 HA MET A 226 2.548 33.852 15.646 1.00 0.00 H ATOM 218 HB2 MET A 226 3.414 34.555 12.856 1.00 0.00 H ATOM 219 HB3 MET A 226 3.542 35.625 14.272 1.00 0.00 H ATOM 220 HG2 MET A 226 4.884 32.938 13.895 1.00 0.00 H ATOM 221 HG3 MET A 226 4.943 33.906 15.387 1.00 0.00 H ATOM 222 HE1 MET A 226 5.256 36.853 14.492 1.00 0.00 H ATOM 223 HE2 MET A 226 6.316 36.083 15.698 1.00 0.00 H ATOM 224 HE3 MET A 226 7.024 37.020 14.360 1.00 0.00 H ATOM 225 H MET A 226 1.876 32.415 13.064 1.00 0.00 H ATOM 226 N ILE A 227 0.759 35.588 15.213 1.00 17.08 N ATOM 227 CA ILE A 227 -0.471 36.368 15.103 1.00 16.51 C ATOM 228 C ILE A 227 -0.078 37.835 14.896 1.00 15.87 C ATOM 229 O ILE A 227 0.922 38.299 15.443 1.00 15.59 O ATOM 230 CB ILE A 227 -1.340 36.174 16.380 1.00 17.74 C ATOM 231 CG1 ILE A 227 -2.685 36.894 16.224 1.00 20.66 C ATOM 232 CG2 ILE A 227 -0.580 36.660 17.608 1.00 19.20 C ATOM 233 CD1 ILE A 227 -3.732 36.470 17.254 1.00 21.15 C ATOM 234 HA ILE A 227 -1.072 36.036 14.257 1.00 0.00 H ATOM 235 HB ILE A 227 -1.549 35.113 16.515 1.00 0.00 H ATOM 236 HG12 ILE A 227 -2.516 37.966 16.326 1.00 0.00 H ATOM 237 HG13 ILE A 227 -3.076 36.682 15.229 1.00 0.00 H ATOM 238 HD11 ILE A 227 -3.922 35.401 17.158 1.00 0.00 H ATOM 239 HD12 ILE A 227 -3.362 36.686 18.256 1.00 0.00 H ATOM 240 HD13 ILE A 227 -4.656 37.022 17.080 1.00 0.00 H ATOM 241 HG21 ILE A 227 0.343 36.089 17.712 1.00 0.00 H ATOM 242 HG22 ILE A 227 -0.344 37.718 17.492 1.00 0.00 H ATOM 243 HG23 ILE A 227 -1.198 36.519 18.495 1.00 0.00 H ATOM 244 H ILE A 227 1.417 35.781 15.995 1.00 0.00 H ATOM 245 N GLY A 228 -0.846 38.549 14.079 1.00 15.63 N ATOM 246 CA GLY A 228 -0.533 39.942 13.813 1.00 16.22 C ATOM 247 C GLY A 228 -1.466 40.895 14.532 1.00 16.84 C ATOM 248 O GLY A 228 -2.683 40.714 14.507 1.00 16.18 O ATOM 249 HA3 GLY A 228 -0.611 40.119 12.740 1.00 0.00 H ATOM 250 HA2 GLY A 228 0.488 40.139 14.139 1.00 0.00 H ATOM 251 H GLY A 228 -1.674 38.109 13.629 1.00 0.00 H ATOM 252 N CYS A 229 -0.896 41.914 15.166 1.00 17.06 N ATOM 253 CA CYS A 229 -1.685 42.899 15.902 1.00 18.38 C ATOM 254 C CYS A 229 -2.605 43.646 14.916 1.00 18.77 C ATOM 255 O CYS A 229 -2.172 44.104 13.858 1.00 17.70 O ATOM 256 CB CYS A 229 -0.761 43.886 16.610 1.00 16.67 C ATOM 257 SG CYS A 229 -1.626 44.998 17.730 1.00 18.81 S ATOM 258 HA CYS A 229 -2.292 42.394 16.653 1.00 0.00 H ATOM 259 HB2 CYS A 229 -0.250 44.484 15.855 1.00 0.00 H ATOM 260 HB3 CYS A 229 -0.026 43.321 17.183 1.00 0.00 H ATOM 261 HG CYS A 229 -0.717 45.850 18.323 1.00 0.00 H ATOM 262 H CYS A 229 0.139 42.013 15.138 1.00 0.00 H ATOM 263 N ASP A 230 -3.871 43.782 15.286 1.00 19.64 N ATOM 264 CA ASP A 230 -4.833 44.445 14.419 1.00 20.82 C ATOM 265 C ASP A 230 -4.701 45.977 14.461 1.00 21.33 C ATOM 266 O ASP A 230 -5.505 46.688 13.860 1.00 21.26 O ATOM 267 CB ASP A 230 -6.242 43.975 14.767 1.00 22.27 C ATOM 268 CG ASP A 230 -6.553 42.618 14.157 1.00 24.66 C ATOM 269 OD1 ASP A 230 -7.252 41.811 14.798 1.00 26.39 O ATOM 270 OD2 ASP A 230 -6.090 42.367 13.023 1.00 26.26 O ATOM 271 HA ASP A 230 -4.619 44.164 13.388 1.00 0.00 H ATOM 272 HB2 ASP A 230 -6.332 43.904 15.851 1.00 0.00 H ATOM 273 HB3 ASP A 230 -6.960 44.704 14.391 1.00 0.00 H ATOM 274 H ASP A 230 -4.180 43.410 16.207 1.00 0.00 H ATOM 275 N ASN A 231 -3.701 46.484 15.173 1.00 20.72 N ATOM 276 CA ASN A 231 -3.429 47.924 15.181 1.00 20.04 C ATOM 277 C ASN A 231 -2.503 48.142 14.006 1.00 20.90 C ATOM 278 O ASN A 231 -1.356 47.729 14.045 1.00 18.47 O ATOM 279 CB ASN A 231 -2.770 48.377 16.486 1.00 18.23 C ATOM 280 CG ASN A 231 -2.397 49.843 16.456 1.00 18.27 C ATOM 281 OD1 ASN A 231 -2.681 50.544 15.480 1.00 15.16 O ATOM 282 ND2 ASN A 231 -1.765 50.310 17.527 1.00 18.62 N ATOM 283 HA ASN A 231 -4.348 48.505 15.106 1.00 0.00 H ATOM 284 HB2 ASN A 231 -3.465 48.208 17.308 1.00 0.00 H ATOM 285 HB3 ASN A 231 -1.867 47.788 16.647 1.00 0.00 H ATOM 286 HD22 ASN A 231 -1.550 49.675 18.322 1.00 0.00 H ATOM 287 HD21 ASN A 231 -1.485 51.311 17.570 1.00 0.00 H ATOM 288 H ASN A 231 -3.100 45.848 15.735 1.00 0.00 H ATOM 289 N GLU A 232 -2.989 48.795 12.955 1.00 21.39 N ATOM 290 CA GLU A 232 -2.190 49.044 11.748 1.00 23.47 C ATOM 291 C GLU A 232 -0.869 49.733 12.078 1.00 23.94 C ATOM 292 O GLU A 232 0.110 49.559 11.358 1.00 22.51 O ATOM 293 CB GLU A 232 -2.969 49.918 10.763 1.00 23.75 C ATOM 294 CG GLU A 232 -4.100 49.215 10.047 1.00 29.09 C ATOM 295 CD GLU A 232 -4.935 50.174 9.210 1.00 31.24 C ATOM 296 OE1 GLU A 232 -5.733 49.702 8.376 1.00 32.01 O ATOM 297 OE2 GLU A 232 -4.801 51.402 9.395 1.00 33.50 O ATOM 298 HA GLU A 232 -1.977 48.074 11.300 1.00 0.00 H ATOM 299 HB2 GLU A 232 -3.388 50.760 11.314 1.00 0.00 H ATOM 300 HB3 GLU A 232 -2.271 50.288 10.012 1.00 0.00 H ATOM 301 HG2 GLU A 232 -3.680 48.451 9.392 1.00 0.00 H ATOM 302 HG3 GLU A 232 -4.745 48.742 10.788 1.00 0.00 H ATOM 303 H GLU A 232 -3.969 49.142 12.989 1.00 0.00 H ATOM 304 N GLN A 233 -0.837 50.515 13.152 1.00 25.17 N ATOM 305 CA GLN A 233 0.385 51.244 13.511 1.00 25.16 C ATOM 306 C GLN A 233 1.210 50.481 14.558 1.00 24.85 C ATOM 307 O GLN A 233 2.118 51.055 15.161 1.00 22.79 O ATOM 308 CB GLN A 233 0.032 52.641 14.041 1.00 29.23 C ATOM 309 CG GLN A 233 -0.669 53.530 13.022 1.00 36.22 C ATOM 310 CD GLN A 233 0.251 53.995 11.905 1.00 38.94 C ATOM 311 OE1 GLN A 233 -0.207 54.458 10.860 1.00 39.08 O ATOM 312 NE2 GLN A 233 1.558 53.888 12.128 1.00 40.90 N ATOM 313 HA GLN A 233 0.990 51.340 12.610 1.00 0.00 H ATOM 314 HB2 GLN A 233 -0.624 52.525 14.904 1.00 0.00 H ATOM 315 HB3 GLN A 233 0.954 53.134 14.350 1.00 0.00 H ATOM 316 HG2 GLN A 233 -1.494 52.970 12.582 1.00 0.00 H ATOM 317 HG3 GLN A 233 -1.061 54.407 13.537 1.00 0.00 H ATOM 318 HE22 GLN A 233 1.902 53.491 13.026 1.00 0.00 H ATOM 319 HE21 GLN A 233 2.236 54.202 11.405 1.00 0.00 H ATOM 320 H GLN A 233 -1.687 50.611 13.744 1.00 0.00 H ATOM 321 N CYS A 234 0.912 49.205 14.782 1.00 22.95 N ATOM 322 CA CYS A 234 1.699 48.446 15.764 1.00 23.05 C ATOM 323 C CYS A 234 3.153 48.407 15.275 1.00 23.27 C ATOM 324 O CYS A 234 3.424 48.085 14.121 1.00 23.23 O ATOM 325 CB CYS A 234 1.183 47.013 15.921 1.00 21.33 C ATOM 326 SG CYS A 234 2.088 46.087 17.191 1.00 18.91 S ATOM 327 HA CYS A 234 1.617 48.934 16.735 1.00 0.00 H ATOM 328 HB2 CYS A 234 1.290 46.496 14.967 1.00 0.00 H ATOM 329 HB3 CYS A 234 0.129 47.048 16.198 1.00 0.00 H ATOM 330 HG CYS A 234 1.574 44.809 17.280 1.00 0.00 H ATOM 331 H CYS A 234 0.131 48.749 14.268 1.00 0.00 H ATOM 332 N PRO A 235 4.100 48.752 16.155 1.00 26.08 N ATOM 333 CA PRO A 235 5.533 48.767 15.844 1.00 26.59 C ATOM 334 C PRO A 235 6.127 47.370 15.601 1.00 26.59 C ATOM 335 O PRO A 235 7.078 47.219 14.837 1.00 27.25 O ATOM 336 CB PRO A 235 6.145 49.426 17.079 1.00 28.47 C ATOM 337 CG PRO A 235 5.028 50.262 17.622 1.00 29.37 C ATOM 338 CD PRO A 235 3.858 49.337 17.484 1.00 27.11 C ATOM 339 HA PRO A 235 5.739 49.294 14.912 1.00 0.00 H ATOM 340 HD3 PRO A 235 3.860 48.573 18.262 1.00 0.00 H ATOM 341 HD2 PRO A 235 2.914 49.881 17.514 1.00 0.00 H ATOM 342 HG3 PRO A 235 4.889 51.169 17.034 1.00 0.00 H ATOM 343 HG2 PRO A 235 5.202 50.529 18.664 1.00 0.00 H ATOM 344 HB2 PRO A 235 6.459 48.676 17.805 1.00 0.00 H ATOM 345 HB3 PRO A 235 6.999 50.046 16.807 1.00 0.00 H ATOM 346 N ILE A 236 5.555 46.363 16.256 1.00 24.51 N ATOM 347 CA ILE A 236 6.040 44.980 16.150 1.00 22.26 C ATOM 348 C ILE A 236 5.196 44.191 15.144 1.00 20.93 C ATOM 349 O ILE A 236 5.733 43.577 14.222 1.00 19.64 O ATOM 350 CB ILE A 236 5.969 44.286 17.521 1.00 22.69 C ATOM 351 CG1 ILE A 236 6.799 45.077 18.535 1.00 23.59 C ATOM 352 CG2 ILE A 236 6.466 42.851 17.408 1.00 23.67 C ATOM 353 CD1 ILE A 236 6.701 44.553 19.954 1.00 24.05 C ATOM 354 HA ILE A 236 7.075 45.008 15.808 1.00 0.00 H ATOM 355 HB ILE A 236 4.935 44.257 17.864 1.00 0.00 H ATOM 356 HG12 ILE A 236 7.844 45.040 18.227 1.00 0.00 H ATOM 357 HG13 ILE A 236 6.456 46.112 18.527 1.00 0.00 H ATOM 358 HD11 ILE A 236 5.663 44.594 20.284 1.00 0.00 H ATOM 359 HD12 ILE A 236 7.052 43.522 19.984 1.00 0.00 H ATOM 360 HD13 ILE A 236 7.317 45.167 20.610 1.00 0.00 H ATOM 361 HG21 ILE A 236 5.843 42.307 16.698 1.00 0.00 H ATOM 362 HG22 ILE A 236 7.499 42.852 17.060 1.00 0.00 H ATOM 363 HG23 ILE A 236 6.411 42.371 18.385 1.00 0.00 H ATOM 364 H ILE A 236 4.735 46.562 16.865 1.00 0.00 H ATOM 365 N GLU A 237 3.882 44.205 15.359 1.00 17.50 N ATOM 366 CA GLU A 237 2.880 43.531 14.517 1.00 17.32 C ATOM 367 C GLU A 237 2.806 42.014 14.736 1.00 17.72 C ATOM 368 O GLU A 237 1.778 41.505 15.175 1.00 18.59 O ATOM 369 CB GLU A 237 3.095 43.788 13.016 1.00 19.00 C ATOM 370 CG GLU A 237 2.134 42.928 12.177 1.00 17.54 C ATOM 371 CD GLU A 237 2.153 43.206 10.682 1.00 19.74 C ATOM 372 OE1 GLU A 237 3.176 43.694 10.152 1.00 16.65 O ATOM 373 OE2 GLU A 237 1.128 42.904 10.030 1.00 17.13 O ATOM 374 HA GLU A 237 1.937 43.975 14.836 1.00 0.00 H ATOM 375 HB2 GLU A 237 2.913 44.841 12.803 1.00 0.00 H ATOM 376 HB3 GLU A 237 4.123 43.538 12.753 1.00 0.00 H ATOM 377 HG2 GLU A 237 2.398 41.881 12.329 1.00 0.00 H ATOM 378 HG3 GLU A 237 1.121 43.102 12.540 1.00 0.00 H ATOM 379 H GLU A 237 3.537 44.733 16.186 1.00 0.00 H ATOM 380 N TRP A 238 3.875 41.289 14.418 1.00 16.31 N ATOM 381 CA TRP A 238 3.837 39.820 14.539 1.00 16.40 C ATOM 382 C TRP A 238 4.442 39.314 15.837 1.00 16.10 C ATOM 383 O TRP A 238 5.522 39.744 16.252 1.00 16.58 O ATOM 384 CB TRP A 238 4.557 39.173 13.358 1.00 17.66 C ATOM 385 CG TRP A 238 3.894 39.454 12.055 1.00 16.65 C ATOM 386 CD1 TRP A 238 4.267 40.383 11.127 1.00 18.28 C ATOM 387 CD2 TRP A 238 2.723 38.812 11.534 1.00 17.23 C ATOM 388 NE1 TRP A 238 3.403 40.357 10.058 1.00 17.32 N ATOM 389 CE2 TRP A 238 2.445 39.403 10.282 1.00 17.17 C ATOM 390 CE3 TRP A 238 1.880 37.793 12.005 1.00 18.19 C ATOM 391 CZ2 TRP A 238 1.359 39.009 9.492 1.00 17.03 C ATOM 392 CZ3 TRP A 238 0.801 37.402 11.221 1.00 18.13 C ATOM 393 CH2 TRP A 238 0.550 38.010 9.977 1.00 17.52 C ATOM 394 HA TRP A 238 2.784 39.538 14.540 1.00 0.00 H ATOM 395 HB2 TRP A 238 5.577 39.555 13.320 1.00 0.00 H ATOM 396 HB3 TRP A 238 4.580 38.094 13.512 1.00 0.00 H ATOM 397 HE1 TRP A 238 3.466 40.963 9.215 1.00 0.00 H ATOM 398 HD1 TRP A 238 5.125 41.049 11.220 1.00 0.00 H ATOM 399 HZ2 TRP A 238 1.162 39.477 8.528 1.00 0.00 H ATOM 400 HH2 TRP A 238 -0.305 37.681 9.386 1.00 0.00 H ATOM 401 HZ3 TRP A 238 0.139 36.612 11.575 1.00 0.00 H ATOM 402 HE3 TRP A 238 2.068 37.317 12.968 1.00 0.00 H ATOM 403 H TRP A 238 4.740 41.760 14.083 1.00 0.00 H ATOM 404 N PHE A 239 3.737 38.364 16.449 1.00 17.01 N ATOM 405 CA PHE A 239 4.164 37.757 17.708 1.00 16.46 C ATOM 406 C PHE A 239 4.002 36.240 17.610 1.00 17.40 C ATOM 407 O PHE A 239 3.089 35.747 16.949 1.00 17.08 O ATOM 408 CB PHE A 239 3.301 38.262 18.870 1.00 17.98 C ATOM 409 CG PHE A 239 3.298 39.753 19.022 1.00 17.65 C ATOM 410 CD1 PHE A 239 2.622 40.555 18.109 1.00 17.31 C ATOM 411 CD2 PHE A 239 4.004 40.357 20.057 1.00 18.20 C ATOM 412 CE1 PHE A 239 2.651 41.938 18.221 1.00 18.13 C ATOM 413 CE2 PHE A 239 4.042 41.741 20.181 1.00 20.06 C ATOM 414 CZ PHE A 239 3.365 42.534 19.258 1.00 17.79 C ATOM 415 HA PHE A 239 5.205 38.025 17.889 1.00 0.00 H ATOM 416 HB2 PHE A 239 2.275 37.932 18.705 1.00 0.00 H ATOM 417 HB3 PHE A 239 3.678 37.823 19.794 1.00 0.00 H ATOM 418 HD2 PHE A 239 4.534 39.737 20.780 1.00 0.00 H ATOM 419 HE2 PHE A 239 4.599 42.203 20.996 1.00 0.00 H ATOM 420 HZ PHE A 239 3.394 43.620 19.347 1.00 0.00 H ATOM 421 HE1 PHE A 239 2.117 42.556 17.500 1.00 0.00 H ATOM 422 HD1 PHE A 239 2.063 40.092 17.296 1.00 0.00 H ATOM 423 H PHE A 239 2.849 38.042 16.014 1.00 0.00 H ATOM 424 N HIS A 240 4.888 35.505 18.275 1.00 17.55 N ATOM 425 CA HIS A 240 4.798 34.047 18.286 1.00 17.46 C ATOM 426 C HIS A 240 3.654 33.692 19.233 1.00 17.66 C ATOM 427 O HIS A 240 3.491 34.333 20.265 1.00 16.34 O ATOM 428 CB HIS A 240 6.101 33.430 18.793 1.00 19.40 C ATOM 429 CG HIS A 240 7.303 33.837 18.001 1.00 19.59 C ATOM 430 ND1 HIS A 240 8.106 34.896 18.362 1.00 20.57 N ATOM 431 CD2 HIS A 240 7.808 33.362 16.840 1.00 18.96 C ATOM 432 CE1 HIS A 240 9.054 35.056 17.458 1.00 20.46 C ATOM 433 NE2 HIS A 240 8.895 34.138 16.523 1.00 19.57 N ATOM 434 HA HIS A 240 4.622 33.662 17.281 1.00 0.00 H ATOM 435 HB2 HIS A 240 6.249 33.738 19.828 1.00 0.00 H ATOM 436 HB3 HIS A 240 6.009 32.345 18.748 1.00 0.00 H ATOM 437 HD2 HIS A 240 7.424 32.520 16.264 1.00 0.00 H ATOM 438 HE1 HIS A 240 9.835 35.816 17.480 1.00 0.00 H ATOM 439 H HIS A 240 5.656 35.975 18.795 1.00 0.00 H ATOM 440 N PHE A 241 2.866 32.678 18.880 1.00 17.49 N ATOM 441 CA PHE A 241 1.720 32.264 19.709 1.00 19.56 C ATOM 442 C PHE A 241 2.146 32.064 21.160 1.00 21.60 C ATOM 443 O PHE A 241 1.493 32.561 22.072 1.00 22.37 O ATOM 444 CB PHE A 241 1.106 30.954 19.207 1.00 18.59 C ATOM 445 CG PHE A 241 0.000 31.130 18.197 1.00 20.98 C ATOM 446 CD1 PHE A 241 -0.996 30.165 18.079 1.00 21.39 C ATOM 447 CD2 PHE A 241 -0.036 32.234 17.351 1.00 19.82 C ATOM 448 CE1 PHE A 241 -2.010 30.295 17.133 1.00 21.49 C ATOM 449 CE2 PHE A 241 -1.046 32.373 16.400 1.00 20.30 C ATOM 450 CZ PHE A 241 -2.035 31.404 16.291 1.00 22.47 C ATOM 451 HA PHE A 241 0.979 33.061 19.640 1.00 0.00 H ATOM 452 HB2 PHE A 241 1.897 30.361 18.747 1.00 0.00 H ATOM 453 HB3 PHE A 241 0.702 30.416 20.065 1.00 0.00 H ATOM 454 HD2 PHE A 241 0.735 33.000 17.433 1.00 0.00 H ATOM 455 HE2 PHE A 241 -1.059 33.242 15.742 1.00 0.00 H ATOM 456 HZ PHE A 241 -2.827 31.511 15.550 1.00 0.00 H ATOM 457 HE1 PHE A 241 -2.782 29.530 17.052 1.00 0.00 H ATOM 458 HD1 PHE A 241 -0.982 29.295 18.736 1.00 0.00 H ATOM 459 H PHE A 241 3.064 32.165 17.997 1.00 0.00 H ATOM 460 N SER A 242 3.238 31.332 21.365 1.00 24.25 N ATOM 461 CA SER A 242 3.734 31.032 22.718 1.00 26.02 C ATOM 462 C SER A 242 4.059 32.310 23.511 1.00 25.80 C ATOM 463 O SER A 242 3.777 32.382 24.705 1.00 26.26 O ATOM 464 CB SER A 242 4.982 30.146 22.645 1.00 27.15 C ATOM 465 OG SER A 242 6.050 30.812 21.994 1.00 32.57 O ATOM 466 HA SER A 242 2.937 30.504 23.241 1.00 0.00 H ATOM 467 HB2 SER A 242 4.741 29.238 22.093 1.00 0.00 H ATOM 468 HB3 SER A 242 5.291 29.884 23.657 1.00 0.00 H ATOM 469 HG SER A 242 6.839 30.215 21.963 1.00 0.00 H ATOM 470 H SER A 242 3.757 30.960 20.544 1.00 0.00 H ATOM 471 N CYS A 243 4.638 33.309 22.851 1.00 23.92 N ATOM 472 CA CYS A 243 5.026 34.559 23.528 1.00 24.76 C ATOM 473 C CYS A 243 3.812 35.380 23.985 1.00 24.19 C ATOM 474 O CYS A 243 3.957 36.269 24.829 1.00 22.52 O ATOM 475 CB CYS A 243 5.911 35.399 22.612 1.00 25.15 C ATOM 476 SG CYS A 243 7.470 34.581 22.219 1.00 26.69 S ATOM 477 HA CYS A 243 5.583 34.281 24.423 1.00 0.00 H ATOM 478 HB2 CYS A 243 6.128 36.346 23.107 1.00 0.00 H ATOM 479 HB3 CYS A 243 5.372 35.590 21.684 1.00 0.00 H ATOM 480 HG CYS A 243 8.218 35.393 21.391 1.00 0.00 H ATOM 481 H CYS A 243 4.821 33.205 21.833 1.00 0.00 H ATOM 482 N VAL A 244 2.633 35.106 23.433 1.00 24.22 N ATOM 483 CA VAL A 244 1.426 35.839 23.839 1.00 24.45 C ATOM 484 C VAL A 244 0.411 34.868 24.460 1.00 25.15 C ATOM 485 O VAL A 244 -0.783 35.156 24.524 1.00 26.24 O ATOM 486 CB VAL A 244 0.785 36.606 22.654 1.00 23.70 C ATOM 487 CG1 VAL A 244 1.656 37.800 22.291 1.00 22.06 C ATOM 488 CG2 VAL A 244 0.616 35.693 21.454 1.00 23.73 C ATOM 489 HA VAL A 244 1.721 36.581 24.581 1.00 0.00 H ATOM 490 HB VAL A 244 -0.202 36.958 22.953 1.00 0.00 H ATOM 491 HG11 VAL A 244 1.738 38.463 23.152 1.00 0.00 H ATOM 492 HG12 VAL A 244 2.648 37.451 22.004 1.00 0.00 H ATOM 493 HG13 VAL A 244 1.204 38.338 21.458 1.00 0.00 H ATOM 494 HG21 VAL A 244 1.591 35.317 21.145 1.00 0.00 H ATOM 495 HG22 VAL A 244 -0.029 34.856 21.723 1.00 0.00 H ATOM 496 HG23 VAL A 244 0.165 36.252 20.634 1.00 0.00 H ATOM 497 H VAL A 244 2.565 34.365 22.706 1.00 0.00 H ATOM 498 N SER A 245 0.913 33.721 24.916 1.00 26.37 N ATOM 499 CA SER A 245 0.107 32.682 25.578 1.00 27.18 C ATOM 500 C SER A 245 -1.121 32.283 24.757 1.00 26.97 C ATOM 501 O SER A 245 -2.240 32.278 25.274 1.00 26.28 O ATOM 502 CB SER A 245 -0.345 33.168 26.956 1.00 29.55 C ATOM 503 OG SER A 245 0.767 33.550 27.743 1.00 31.90 O ATOM 504 HA SER A 245 0.742 31.802 25.676 1.00 0.00 H ATOM 505 HB2 SER A 245 -0.881 32.364 27.461 1.00 0.00 H ATOM 506 HB3 SER A 245 -1.008 34.025 26.834 1.00 0.00 H ATOM 507 HG SER A 245 1.370 32.773 27.860 1.00 0.00 H ATOM 508 H SER A 245 1.932 33.550 24.798 1.00 0.00 H ATOM 509 N LEU A 246 -0.916 31.937 23.492 1.00 24.91 N ATOM 510 CA LEU A 246 -2.024 31.510 22.637 1.00 24.79 C ATOM 511 C LEU A 246 -1.725 30.105 22.139 1.00 24.59 C ATOM 512 O LEU A 246 -0.565 29.739 21.968 1.00 24.08 O ATOM 513 CB LEU A 246 -2.187 32.440 21.427 1.00 23.92 C ATOM 514 CG LEU A 246 -2.839 33.813 21.614 1.00 25.41 C ATOM 515 CD1 LEU A 246 -2.855 34.534 20.266 1.00 23.93 C ATOM 516 CD2 LEU A 246 -4.259 33.664 22.156 1.00 24.53 C ATOM 517 HA LEU A 246 -2.947 31.539 23.216 1.00 0.00 H ATOM 518 HB2 LEU A 246 -1.189 32.615 21.024 1.00 0.00 H ATOM 519 HB3 LEU A 246 -2.785 31.902 20.692 1.00 0.00 H ATOM 520 HG LEU A 246 -2.266 34.395 22.336 1.00 0.00 H ATOM 521 HD21 LEU A 246 -4.855 33.082 21.454 1.00 0.00 H ATOM 522 HD22 LEU A 246 -4.227 33.153 23.118 1.00 0.00 H ATOM 523 HD23 LEU A 246 -4.704 34.651 22.282 1.00 0.00 H ATOM 524 HD11 LEU A 246 -1.833 34.654 19.907 1.00 0.00 H ATOM 525 HD12 LEU A 246 -3.427 33.946 19.548 1.00 0.00 H ATOM 526 HD13 LEU A 246 -3.317 35.514 20.385 1.00 0.00 H ATOM 527 H LEU A 246 0.048 31.970 23.102 1.00 0.00 H ATOM 528 N THR A 247 -2.771 29.318 21.915 1.00 25.01 N ATOM 529 CA THR A 247 -2.596 27.963 21.395 1.00 26.82 C ATOM 530 C THR A 247 -3.414 27.829 20.116 1.00 27.39 C ATOM 531 O THR A 247 -3.061 27.061 19.228 1.00 28.52 O ATOM 532 CB THR A 247 -3.058 26.878 22.402 1.00 28.73 C ATOM 533 OG1 THR A 247 -4.424 27.101 22.774 1.00 30.92 O ATOM 534 CG2 THR A 247 -2.187 26.906 23.638 1.00 31.35 C ATOM 535 HA THR A 247 -1.533 27.808 21.210 1.00 0.00 H ATOM 536 HB THR A 247 -2.969 25.902 21.925 1.00 0.00 H ATOM 537 HG1 THR A 247 -4.509 27.993 23.195 1.00 0.00 H ATOM 538 HG23 THR A 247 -1.149 26.736 23.353 1.00 0.00 H ATOM 539 HG21 THR A 247 -2.278 27.878 24.123 1.00 0.00 H ATOM 540 HG22 THR A 247 -2.509 26.124 24.326 1.00 0.00 H ATOM 541 H THR A 247 -3.729 29.671 22.113 1.00 0.00 H ATOM 542 N TYR A 248 -4.502 28.589 20.030 1.00 28.58 N ATOM 543 CA TYR A 248 -5.378 28.549 18.861 1.00 29.48 C ATOM 544 C TYR A 248 -5.622 29.968 18.336 1.00 30.02 C ATOM 545 O TYR A 248 -5.579 30.944 19.084 1.00 27.08 O ATOM 546 CB TYR A 248 -6.723 27.903 19.216 1.00 30.08 C ATOM 547 CG TYR A 248 -6.630 26.443 19.592 1.00 32.14 C ATOM 548 CD1 TYR A 248 -6.432 26.049 20.917 1.00 33.94 C ATOM 549 CD2 TYR A 248 -6.722 25.452 18.619 1.00 33.28 C ATOM 550 CE1 TYR A 248 -6.328 24.698 21.262 1.00 32.02 C ATOM 551 CE2 TYR A 248 -6.619 24.102 18.949 1.00 33.52 C ATOM 552 CZ TYR A 248 -6.422 23.733 20.270 1.00 33.09 C ATOM 553 OH TYR A 248 -6.311 22.399 20.586 1.00 33.56 O ATOM 554 HA TYR A 248 -4.889 27.953 18.090 1.00 0.00 H ATOM 555 HB3 TYR A 248 -7.384 27.993 18.354 1.00 0.00 H ATOM 556 HB2 TYR A 248 -7.152 28.446 20.058 1.00 0.00 H ATOM 557 HD2 TYR A 248 -6.878 25.737 17.579 1.00 0.00 H ATOM 558 HE2 TYR A 248 -6.693 23.341 18.172 1.00 0.00 H ATOM 559 HE1 TYR A 248 -6.174 24.406 22.301 1.00 0.00 H ATOM 560 HD1 TYR A 248 -6.357 26.808 21.696 1.00 0.00 H ATOM 561 HH TYR A 248 -6.175 22.302 21.562 1.00 0.00 H ATOM 562 H TYR A 248 -4.736 29.229 20.816 1.00 0.00 H ATOM 563 N LYS A 249 -5.880 30.051 17.035 1.00 31.32 N ATOM 564 CA LYS A 249 -6.151 31.312 16.346 1.00 32.56 C ATOM 565 C LYS A 249 -7.367 31.953 17.007 1.00 32.28 C ATOM 566 O LYS A 249 -8.451 31.375 17.019 1.00 31.56 O ATOM 567 CB LYS A 249 -6.455 31.027 14.873 1.00 35.16 C ATOM 568 CG LYS A 249 -6.696 32.248 14.001 1.00 40.14 C ATOM 569 CD LYS A 249 -7.321 31.821 12.677 1.00 43.01 C ATOM 570 CE LYS A 249 -7.403 32.962 11.681 1.00 43.38 C ATOM 571 NZ LYS A 249 -6.071 33.302 11.114 1.00 43.44 N ATOM 572 HA LYS A 249 -5.291 31.979 16.407 1.00 0.00 H ATOM 573 HB2 LYS A 249 -5.610 30.479 14.456 1.00 0.00 H ATOM 574 HB3 LYS A 249 -7.348 30.403 14.830 1.00 0.00 H ATOM 575 HG2 LYS A 249 -7.370 32.933 14.515 1.00 0.00 H ATOM 576 HG3 LYS A 249 -5.747 32.749 13.809 1.00 0.00 H ATOM 577 HD2 LYS A 249 -6.717 31.023 12.246 1.00 0.00 H ATOM 578 HD3 LYS A 249 -8.328 31.450 12.868 1.00 0.00 H ATOM 579 HE2 LYS A 249 -7.807 33.841 12.184 1.00 0.00 H ATOM 580 HE3 LYS A 249 -8.069 32.673 10.868 1.00 0.00 H ATOM 581 HZ1 LYS A 249 -5.431 33.586 11.883 1.00 0.00 H ATOM 582 HZ2 LYS A 249 -5.681 32.471 10.626 1.00 0.00 H ATOM 583 HZ3 LYS A 249 -6.173 34.086 10.439 1.00 0.00 H ATOM 584 H LYS A 249 -5.890 29.173 16.478 1.00 0.00 H ATOM 585 N PRO A 250 -7.198 33.149 17.584 1.00 31.66 N ATOM 586 CA PRO A 250 -8.329 33.815 18.232 1.00 32.07 C ATOM 587 C PRO A 250 -9.416 34.150 17.214 1.00 34.15 C ATOM 588 O PRO A 250 -9.162 34.215 16.014 1.00 32.05 O ATOM 589 CB PRO A 250 -7.699 35.076 18.818 1.00 30.88 C ATOM 590 CG PRO A 250 -6.288 34.664 19.079 1.00 28.50 C ATOM 591 CD PRO A 250 -5.943 33.874 17.842 1.00 30.51 C ATOM 592 HA PRO A 250 -8.821 33.201 18.986 1.00 0.00 H ATOM 593 HD3 PRO A 250 -5.686 34.531 17.011 1.00 0.00 H ATOM 594 HD2 PRO A 250 -5.118 33.186 18.028 1.00 0.00 H ATOM 595 HG3 PRO A 250 -6.217 34.046 19.974 1.00 0.00 H ATOM 596 HG2 PRO A 250 -5.638 35.532 19.186 1.00 0.00 H ATOM 597 HB2 PRO A 250 -7.740 35.901 18.106 1.00 0.00 H ATOM 598 HB3 PRO A 250 -8.198 35.369 19.742 1.00 0.00 H ATOM 599 N LYS A 251 -10.633 34.347 17.697 1.00 38.07 N ATOM 600 CA LYS A 251 -11.725 34.706 16.814 1.00 42.34 C ATOM 601 C LYS A 251 -11.907 36.218 16.962 1.00 42.09 C ATOM 602 O LYS A 251 -11.902 36.741 18.077 1.00 43.50 O ATOM 603 CB LYS A 251 -13.003 33.966 17.220 1.00 47.68 C ATOM 604 CG LYS A 251 -14.215 34.288 16.359 1.00 54.20 C ATOM 605 CD LYS A 251 -13.967 33.954 14.894 1.00 57.26 C ATOM 606 CE LYS A 251 -15.192 34.263 14.042 1.00 58.08 C ATOM 607 NZ LYS A 251 -14.960 33.962 12.599 1.00 58.10 N ATOM 608 HA LYS A 251 -11.512 34.432 15.781 1.00 0.00 H ATOM 609 HB2 LYS A 251 -12.813 32.895 17.155 1.00 0.00 H ATOM 610 HB3 LYS A 251 -13.237 34.230 18.251 1.00 0.00 H ATOM 611 HG2 LYS A 251 -15.066 33.708 16.715 1.00 0.00 H ATOM 612 HG3 LYS A 251 -14.439 35.351 16.447 1.00 0.00 H ATOM 613 HD2 LYS A 251 -13.125 34.544 14.533 1.00 0.00 H ATOM 614 HD3 LYS A 251 -13.731 32.893 14.806 1.00 0.00 H ATOM 615 HE2 LYS A 251 -15.436 35.320 14.146 1.00 0.00 H ATOM 616 HE3 LYS A 251 -16.029 33.661 14.397 1.00 0.00 H ATOM 617 HZ1 LYS A 251 -14.167 34.537 12.249 1.00 0.00 H ATOM 618 HZ2 LYS A 251 -14.733 32.953 12.489 1.00 0.00 H ATOM 619 HZ3 LYS A 251 -15.819 34.187 12.057 1.00 0.00 H ATOM 620 H LYS A 251 -10.807 34.243 18.717 1.00 0.00 H ATOM 621 N GLY A 252 -12.039 36.921 15.843 1.00 40.44 N ATOM 622 CA GLY A 252 -12.212 38.360 15.912 1.00 37.29 C ATOM 623 C GLY A 252 -10.899 39.122 15.936 1.00 35.13 C ATOM 624 O GLY A 252 -9.859 38.590 15.565 1.00 34.37 O ATOM 625 HA3 GLY A 252 -12.768 38.599 16.819 1.00 0.00 H ATOM 626 HA2 GLY A 252 -12.784 38.682 15.042 1.00 0.00 H ATOM 627 H GLY A 252 -12.018 36.442 14.920 1.00 0.00 H ATOM 628 N LYS A 253 -10.953 40.371 16.386 1.00 32.12 N ATOM 629 CA LYS A 253 -9.773 41.240 16.446 1.00 30.54 C ATOM 630 C LYS A 253 -8.854 40.817 17.592 1.00 28.41 C ATOM 631 O LYS A 253 -9.308 40.325 18.623 1.00 26.61 O ATOM 632 CB LYS A 253 -10.200 42.696 16.663 1.00 31.80 C ATOM 633 CG LYS A 253 -11.089 43.270 15.571 1.00 35.59 C ATOM 634 CD LYS A 253 -10.341 43.401 14.259 1.00 37.90 C ATOM 635 CE LYS A 253 -11.213 44.048 13.203 1.00 38.95 C ATOM 636 NZ LYS A 253 -10.482 44.239 11.924 1.00 40.01 N ATOM 637 HA LYS A 253 -9.237 41.150 15.501 1.00 0.00 H ATOM 638 HB2 LYS A 253 -10.742 42.753 17.607 1.00 0.00 H ATOM 639 HB3 LYS A 253 -9.300 43.308 16.724 1.00 0.00 H ATOM 640 HG2 LYS A 253 -11.945 42.610 15.427 1.00 0.00 H ATOM 641 HG3 LYS A 253 -11.439 44.255 15.880 1.00 0.00 H ATOM 642 HD2 LYS A 253 -9.453 44.014 14.414 1.00 0.00 H ATOM 643 HD3 LYS A 253 -10.042 42.410 13.918 1.00 0.00 H ATOM 644 HE2 LYS A 253 -11.547 45.020 13.567 1.00 0.00 H ATOM 645 HE3 LYS A 253 -12.080 43.412 13.023 1.00 0.00 H ATOM 646 HZ1 LYS A 253 -9.657 44.851 12.086 1.00 0.00 H ATOM 647 HZ2 LYS A 253 -10.166 43.315 11.566 1.00 0.00 H ATOM 648 HZ3 LYS A 253 -11.114 44.684 11.228 1.00 0.00 H ATOM 649 H LYS A 253 -11.868 40.747 16.708 1.00 0.00 H ATOM 650 N TRP A 254 -7.557 41.024 17.401 1.00 24.26 N ATOM 651 CA TRP A 254 -6.573 40.697 18.427 1.00 21.66 C ATOM 652 C TRP A 254 -5.551 41.834 18.475 1.00 20.10 C ATOM 653 O TRP A 254 -5.067 42.286 17.442 1.00 17.55 O ATOM 654 CB TRP A 254 -5.851 39.382 18.109 1.00 20.44 C ATOM 655 CG TRP A 254 -4.817 39.030 19.144 1.00 20.76 C ATOM 656 CD1 TRP A 254 -5.029 38.387 20.330 1.00 20.43 C ATOM 657 CD2 TRP A 254 -3.423 39.370 19.115 1.00 20.53 C ATOM 658 NE1 TRP A 254 -3.855 38.306 21.044 1.00 19.82 N ATOM 659 CE2 TRP A 254 -2.854 38.903 20.323 1.00 20.69 C ATOM 660 CE3 TRP A 254 -2.599 40.027 18.186 1.00 22.03 C ATOM 661 CZ2 TRP A 254 -1.496 39.069 20.627 1.00 20.42 C ATOM 662 CZ3 TRP A 254 -1.248 40.193 18.488 1.00 19.30 C ATOM 663 CH2 TRP A 254 -0.711 39.714 19.700 1.00 22.34 C ATOM 664 HA TRP A 254 -7.079 40.577 19.385 1.00 0.00 H ATOM 665 HB2 TRP A 254 -6.588 38.580 18.063 1.00 0.00 H ATOM 666 HB3 TRP A 254 -5.359 39.478 17.141 1.00 0.00 H ATOM 667 HE1 TRP A 254 -3.745 37.864 21.979 1.00 0.00 H ATOM 668 HD1 TRP A 254 -5.990 37.994 20.663 1.00 0.00 H ATOM 669 HZ2 TRP A 254 -1.077 38.701 21.564 1.00 0.00 H ATOM 670 HH2 TRP A 254 0.349 39.858 19.907 1.00 0.00 H ATOM 671 HZ3 TRP A 254 -0.597 40.701 17.776 1.00 0.00 H ATOM 672 HE3 TRP A 254 -3.008 40.400 17.247 1.00 0.00 H ATOM 673 H TRP A 254 -7.235 41.429 16.499 1.00 0.00 H ATOM 674 N TYR A 255 -5.233 42.291 19.680 1.00 18.90 N ATOM 675 CA TYR A 255 -4.259 43.362 19.857 1.00 19.45 C ATOM 676 C TYR A 255 -3.189 42.855 20.813 1.00 19.73 C ATOM 677 O TYR A 255 -3.492 42.217 21.819 1.00 20.96 O ATOM 678 CB TYR A 255 -4.945 44.614 20.405 1.00 19.17 C ATOM 679 CG TYR A 255 -6.095 45.065 19.531 1.00 21.18 C ATOM 680 CD1 TYR A 255 -7.417 44.809 19.895 1.00 22.32 C ATOM 681 CD2 TYR A 255 -5.860 45.698 18.311 1.00 20.95 C ATOM 682 CE1 TYR A 255 -8.482 45.174 19.059 1.00 22.92 C ATOM 683 CE2 TYR A 255 -6.911 46.064 17.469 1.00 22.69 C ATOM 684 CZ TYR A 255 -8.219 45.798 17.850 1.00 23.62 C ATOM 685 OH TYR A 255 -9.263 46.158 17.023 1.00 24.39 O ATOM 686 HA TYR A 255 -3.804 43.636 18.905 1.00 0.00 H ATOM 687 HB3 TYR A 255 -4.212 45.419 20.464 1.00 0.00 H ATOM 688 HB2 TYR A 255 -5.326 44.397 21.403 1.00 0.00 H ATOM 689 HD2 TYR A 255 -4.835 45.911 18.009 1.00 0.00 H ATOM 690 HE2 TYR A 255 -6.706 46.556 16.518 1.00 0.00 H ATOM 691 HE1 TYR A 255 -9.510 44.968 19.358 1.00 0.00 H ATOM 692 HD1 TYR A 255 -7.626 44.317 20.845 1.00 0.00 H ATOM 693 HH TYR A 255 -9.167 45.696 16.152 1.00 0.00 H ATOM 694 H TYR A 255 -5.689 41.876 20.517 1.00 0.00 H ATOM 695 N CYS A 256 -1.936 43.138 20.486 1.00 19.61 N ATOM 696 CA CYS A 256 -0.819 42.685 21.293 1.00 20.57 C ATOM 697 C CYS A 256 -0.893 43.319 22.677 1.00 21.36 C ATOM 698 O CYS A 256 -1.623 44.288 22.896 1.00 21.95 O ATOM 699 CB CYS A 256 0.499 43.046 20.617 1.00 19.92 C ATOM 700 SG CYS A 256 0.941 44.783 20.705 1.00 18.29 S ATOM 701 HA CYS A 256 -0.871 41.601 21.396 1.00 0.00 H ATOM 702 HB2 CYS A 256 0.428 42.767 19.566 1.00 0.00 H ATOM 703 HB3 CYS A 256 1.293 42.470 21.092 1.00 0.00 H ATOM 704 HG CYS A 256 2.146 44.983 20.062 1.00 0.00 H ATOM 705 H CYS A 256 -1.749 43.698 19.630 1.00 0.00 H ATOM 706 N PRO A 257 -0.129 42.771 23.635 1.00 22.56 N ATOM 707 CA PRO A 257 -0.105 43.280 25.009 1.00 23.17 C ATOM 708 C PRO A 257 0.122 44.787 25.099 1.00 24.88 C ATOM 709 O PRO A 257 -0.537 45.481 25.873 1.00 26.31 O ATOM 710 CB PRO A 257 1.032 42.485 25.646 1.00 24.02 C ATOM 711 CG PRO A 257 0.914 41.148 24.950 1.00 24.68 C ATOM 712 CD PRO A 257 0.710 41.563 23.504 1.00 22.90 C ATOM 713 HA PRO A 257 -1.063 43.150 25.513 1.00 0.00 H ATOM 714 HD3 PRO A 257 1.660 41.793 23.022 1.00 0.00 H ATOM 715 HD2 PRO A 257 0.196 40.785 22.939 1.00 0.00 H ATOM 716 HG3 PRO A 257 0.062 40.580 25.324 1.00 0.00 H ATOM 717 HG2 PRO A 257 1.823 40.558 25.069 1.00 0.00 H ATOM 718 HB2 PRO A 257 1.998 42.950 25.450 1.00 0.00 H ATOM 719 HB3 PRO A 257 0.891 42.385 26.722 1.00 0.00 H ATOM 720 N LYS A 258 1.058 45.282 24.299 1.00 25.90 N ATOM 721 CA LYS A 258 1.401 46.705 24.288 1.00 26.10 C ATOM 722 C LYS A 258 0.204 47.544 23.818 1.00 24.66 C ATOM 723 O LYS A 258 -0.198 48.495 24.486 1.00 23.51 O ATOM 724 CB LYS A 258 2.600 46.937 23.364 1.00 28.60 C ATOM 725 CG LYS A 258 2.975 48.393 23.149 1.00 35.85 C ATOM 726 CD LYS A 258 3.452 49.055 24.429 1.00 38.51 C ATOM 727 CE LYS A 258 3.893 50.492 24.173 1.00 39.80 C ATOM 728 NZ LYS A 258 4.363 51.157 25.425 1.00 39.95 N ATOM 729 HA LYS A 258 1.660 47.013 25.301 1.00 0.00 H ATOM 730 HB2 LYS A 258 3.462 46.426 23.793 1.00 0.00 H ATOM 731 HB3 LYS A 258 2.367 46.501 22.393 1.00 0.00 H ATOM 732 HG2 LYS A 258 3.772 48.445 22.408 1.00 0.00 H ATOM 733 HG3 LYS A 258 2.102 48.930 22.779 1.00 0.00 H ATOM 734 HD2 LYS A 258 2.638 49.056 25.154 1.00 0.00 H ATOM 735 HD3 LYS A 258 4.294 48.490 24.830 1.00 0.00 H ATOM 736 HE2 LYS A 258 3.051 51.054 23.769 1.00 0.00 H ATOM 737 HE3 LYS A 258 4.707 50.488 23.448 1.00 0.00 H ATOM 738 HZ1 LYS A 258 3.590 51.170 26.120 1.00 0.00 H ATOM 739 HZ2 LYS A 258 5.171 50.630 25.813 1.00 0.00 H ATOM 740 HZ3 LYS A 258 4.654 52.132 25.210 1.00 0.00 H ATOM 741 H LYS A 258 1.565 44.638 23.659 1.00 0.00 H ATOM 742 N CYS A 259 -0.374 47.177 22.682 1.00 23.04 N ATOM 743 CA CYS A 259 -1.490 47.938 22.122 1.00 23.17 C ATOM 744 C CYS A 259 -2.784 47.787 22.927 1.00 24.57 C ATOM 745 O CYS A 259 -3.559 48.734 22.997 1.00 24.02 O ATOM 746 CB CYS A 259 -1.727 47.541 20.665 1.00 19.91 C ATOM 747 SG CYS A 259 -0.419 48.095 19.548 1.00 19.82 S ATOM 748 HA CYS A 259 -1.207 48.989 22.175 1.00 0.00 H ATOM 749 HB2 CYS A 259 -2.670 47.978 20.337 1.00 0.00 H ATOM 750 HB3 CYS A 259 -1.792 46.454 20.609 1.00 0.00 H ATOM 751 HG CYS A 259 -0.715 47.694 18.261 1.00 0.00 H ATOM 752 H CYS A 259 -0.028 46.334 22.181 1.00 0.00 H ATOM 753 N ARG A 260 -3.031 46.629 23.533 1.00 25.79 N ATOM 754 CA ARG A 260 -4.281 46.461 24.291 1.00 28.52 C ATOM 755 C ARG A 260 -4.157 47.075 25.681 1.00 28.11 C ATOM 756 O ARG A 260 -5.125 47.123 26.428 1.00 28.36 O ATOM 757 CB ARG A 260 -4.689 44.988 24.382 1.00 30.81 C ATOM 758 CG ARG A 260 -3.731 44.077 25.112 1.00 38.62 C ATOM 759 CD ARG A 260 -4.094 42.636 24.789 1.00 41.03 C ATOM 760 NE ARG A 260 -3.310 41.663 25.538 1.00 42.31 N ATOM 761 CZ ARG A 260 -3.443 40.347 25.407 1.00 41.67 C ATOM 762 NH1 ARG A 260 -4.327 39.851 24.550 1.00 41.19 N ATOM 763 NH2 ARG A 260 -2.710 39.526 26.147 1.00 39.91 N ATOM 764 HA ARG A 260 -5.068 46.988 23.751 1.00 0.00 H ATOM 765 HB2 ARG A 260 -5.650 44.939 24.893 1.00 0.00 H ATOM 766 HB3 ARG A 260 -4.800 44.610 23.366 1.00 0.00 H ATOM 767 HG2 ARG A 260 -2.710 44.281 24.788 1.00 0.00 H ATOM 768 HG3 ARG A 260 -3.810 44.244 26.186 1.00 0.00 H ATOM 769 HD2 ARG A 260 -3.930 42.468 23.725 1.00 0.00 H ATOM 770 HD3 ARG A 260 -5.148 42.484 25.021 1.00 0.00 H ATOM 771 HE ARG A 260 -2.605 42.019 26.215 1.00 0.00 H ATOM 772 HH12 ARG A 260 -4.431 38.821 24.448 1.00 0.00 H ATOM 773 HH11 ARG A 260 -4.916 40.492 23.981 1.00 0.00 H ATOM 774 HH22 ARG A 260 -2.816 38.497 26.042 1.00 0.00 H ATOM 775 HH21 ARG A 260 -2.029 39.911 26.832 1.00 0.00 H ATOM 776 H ARG A 260 -2.346 45.849 23.472 1.00 0.00 H ATOM 777 N GLY A 261 -2.963 47.542 26.023 1.00 28.41 N ATOM 778 CA GLY A 261 -2.785 48.189 27.308 1.00 28.42 C ATOM 779 C GLY A 261 -2.293 47.361 28.475 1.00 31.02 C ATOM 780 O GLY A 261 -2.680 47.621 29.615 1.00 29.10 O ATOM 781 HA3 GLY A 261 -3.750 48.606 27.594 1.00 0.00 H ATOM 782 HA2 GLY A 261 -2.069 48.998 27.164 1.00 0.00 H ATOM 783 H GLY A 261 -2.158 47.444 25.372 1.00 0.00 H ATOM 784 N ASP A 262 -1.447 46.371 28.217 1.00 34.45 N ATOM 785 CA ASP A 262 -0.920 45.553 29.312 1.00 37.98 C ATOM 786 C ASP A 262 0.497 46.016 29.632 1.00 40.20 C ATOM 787 O ASP A 262 1.155 46.671 28.817 1.00 38.33 O ATOM 788 CB ASP A 262 -0.913 44.067 28.943 1.00 40.69 C ATOM 789 CG ASP A 262 -2.309 43.484 28.857 1.00 46.38 C ATOM 790 OD1 ASP A 262 -3.124 43.762 29.761 1.00 49.89 O ATOM 791 OD2 ASP A 262 -2.589 42.741 27.893 1.00 50.22 O ATOM 792 HA ASP A 262 -1.563 45.674 30.184 1.00 0.00 H ATOM 793 HB2 ASP A 262 -0.424 43.949 27.976 1.00 0.00 H ATOM 794 HB3 ASP A 262 -0.352 43.521 29.701 1.00 0.00 H ATOM 795 H ASP A 262 -1.158 46.176 27.237 1.00 0.00 H ATOM 796 N ASN A 263 0.957 45.670 30.829 1.00 44.24 N ATOM 797 CA ASN A 263 2.292 46.046 31.288 1.00 48.10 C ATOM 798 C ASN A 263 3.187 44.805 31.277 1.00 47.28 C ATOM 799 O ASN A 263 3.910 44.558 30.310 1.00 46.11 O ATOM 800 CB ASN A 263 2.204 46.630 32.701 1.00 52.84 C ATOM 801 CG ASN A 263 3.553 47.056 33.243 1.00 61.15 C ATOM 802 OD1 ASN A 263 4.316 47.745 32.569 1.00 64.99 O ATOM 803 ND2 ASN A 263 3.848 46.654 34.474 1.00 64.63 N ATOM 804 HA ASN A 263 2.717 46.801 30.627 1.00 0.00 H ATOM 805 HB2 ASN A 263 1.546 47.499 32.679 1.00 0.00 H ATOM 806 HB3 ASN A 263 1.784 45.875 33.365 1.00 0.00 H ATOM 807 HD22 ASN A 263 3.171 46.072 35.007 1.00 0.00 H ATOM 808 HD21 ASN A 263 4.756 46.921 34.905 1.00 0.00 H ATOM 809 H ASN A 263 0.347 45.113 31.460 1.00 0.00 H TER 810 ASN A 263 HETATM 811 ZN ZN A 1 8.275 35.798 20.405 1.00 22.49 ZN HETATM 812 ZN ZN A 2 0.272 45.921 18.733 1.00 18.95 ZN HETATM 813 O HOH 3 -0.413 45.258 12.179 1.00 19.44 O HETATM 814 O HOH 4 -3.368 53.438 15.758 1.00 26.76 O HETATM 815 O HOH 5 12.105 35.661 10.149 1.00 23.76 O HETATM 816 O HOH 6 -1.303 53.166 18.040 1.00 27.41 O HETATM 817 O HOH 7 -8.299 40.477 12.584 1.00 25.29 O HETATM 818 O HOH 8 -2.977 37.206 23.642 1.00 26.60 O HETATM 819 O HOH 9 5.345 31.020 16.890 1.00 22.67 O HETATM 820 O HOH 10 1.655 47.383 11.928 1.00 31.93 O HETATM 821 O HOH 11 8.482 29.815 22.094 1.00 25.71 O HETATM 822 O HOH 12 10.933 33.433 21.165 1.00 46.97 O HETATM 823 O HOH 13 -5.118 39.571 14.860 1.00 30.92 O HETATM 824 O HOH 14 0.329 49.081 27.193 1.00 30.54 O HETATM 825 O HOH 15 3.698 44.065 22.873 1.00 33.97 O HETATM 826 O HOH 16 -5.458 30.131 22.586 1.00 31.05 O HETATM 827 O HOH 17 -6.639 41.347 22.174 1.00 31.79 O HETATM 828 O HOH 18 11.307 42.795 11.306 1.00 32.97 O HETATM 829 O HOH 19 1.066 26.739 17.871 1.00 39.91 O HETATM 830 O HOH 20 15.909 34.016 16.319 1.00 33.30 O HETATM 831 O HOH 21 6.122 43.312 9.980 1.00 38.15 O HETATM 832 O HOH 22 12.209 31.174 9.713 1.00 50.68 O HETATM 833 O HOH 23 2.838 38.229 26.689 1.00 40.17 O HETATM 834 O HOH 24 10.241 43.119 16.702 1.00 42.74 O HETATM 835 O HOH 25 -8.803 46.897 14.395 1.00 43.65 O HETATM 836 O HOH 26 3.121 50.029 28.477 1.00 44.08 O HETATM 837 O HOH 27 -5.124 45.823 11.057 1.00 38.79 O HETATM 838 O HOH 28 18.110 37.320 12.771 1.00 45.23 O HETATM 839 O HOH 29 2.816 32.147 28.843 1.00 45.36 O HETATM 840 O HOH 30 -9.435 35.271 11.320 1.00 46.47 O HETATM 841 O HOH 31 7.011 32.726 6.963 1.00 25.22 O HETATM 842 O HOH 32 -2.262 39.224 7.681 1.00 41.84 O HETATM 843 O HOH 33 3.153 26.374 12.001 1.00 50.48 O HETATM 844 O HOH 34 5.866 26.707 10.491 1.00 30.13 O HETATM 845 N ALA A 35 -9.038 36.663 13.642 1.00 0.24 N HETATM 846 CA ALA A 35 -7.696 37.280 13.861 1.00 0.06 C HETATM 847 CB ALA A 35 -7.046 36.681 15.103 1.00 -0.00 C HETATM 848 H5 ALA A 35 -6.059 37.140 15.258 1.00 0.03 H HETATM 849 H6 ALA A 35 -6.929 35.596 14.968 1.00 0.03 H HETATM 850 H7 ALA A 35 -7.682 36.875 15.979 1.00 0.03 H HETATM 851 C ALA A 35 -6.798 37.064 12.644 1.00 0.23 C HETATM 852 O ALA A 35 -7.157 36.333 11.726 1.00 -0.39 O HETATM 853 N ALA A 35 -5.639 37.716 12.635 1.00 -0.26 N HETATM 854 CA ALA A 35 -4.689 37.571 11.525 1.00 0.13 C HETATM 855 CB ALA A 35 -4.135 38.930 11.077 1.00 -0.01 C HETATM 856 CG ALA A 35 -5.151 39.884 10.476 1.00 -0.02 C HETATM 857 CD ALA A 35 -4.456 41.065 9.808 1.00 0.06 C HETATM 858 NE ALA A 35 -3.566 41.772 10.726 1.00 -0.27 N HETATM 859 CZ ALA A 35 -2.238 41.788 10.631 1.00 0.29 C HETATM 860 NH2 ALA A 35 -1.519 42.456 11.526 1.00 -0.28 N HETATM 861 H19 ALA A 35 -1.989 42.964 12.289 1.00 0.26 H HETATM 862 H20 ALA A 35 -0.491 42.466 11.457 1.00 0.26 H HETATM 863 NH1 ALA A 35 -1.626 41.135 9.651 1.00 -0.28 N HETATM 864 H17 ALA A 35 -0.598 41.152 9.584 1.00 0.26 H HETATM 865 H18 ALA A 35 -2.179 40.611 8.957 1.00 0.26 H HETATM 866 H16 ALA A 35 -3.997 42.295 11.502 1.00 0.26 H HETATM 867 H14 ALA A 35 -5.221 41.767 9.445 1.00 0.07 H HETATM 868 H15 ALA A 35 -3.865 40.694 8.957 1.00 0.07 H HETATM 869 H12 ALA A 35 -5.811 40.258 11.273 1.00 0.03 H HETATM 870 H13 ALA A 35 -5.750 39.347 9.726 1.00 0.03 H HETATM 871 H10 ALA A 35 -3.355 38.746 10.323 1.00 0.03 H HETATM 872 H11 ALA A 35 -3.688 39.420 11.955 1.00 0.03 H HETATM 873 C ALA A 35 -3.529 36.714 12.016 1.00 0.20 C HETATM 874 O ALA A 35 -2.798 37.104 12.925 1.00 -0.39 O HETATM 875 N ALA A 35 -3.362 35.546 11.416 1.00 -0.26 N HETATM 876 CA ALA A 35 -2.281 34.666 11.814 1.00 0.16 C HETATM 877 CB ALA A 35 -2.788 33.507 12.693 1.00 0.09 C HETATM 878 CG2 ALA A 35 -3.606 34.031 13.858 1.00 -0.03 C HETATM 879 H25 ALA A 35 -3.956 33.186 14.470 1.00 0.03 H HETATM 880 H26 ALA A 35 -4.472 34.590 13.476 1.00 0.03 H HETATM 881 H27 ALA A 35 -2.983 34.696 14.474 1.00 0.03 H HETATM 882 OG1 ALA A 35 -3.601 32.636 11.903 1.00 -0.39 O HETATM 883 H24 ALA A 35 -3.092 32.306 11.172 1.00 0.21 H HETATM 884 H23 ALA A 35 -1.925 32.947 13.082 1.00 0.06 H HETATM 885 C ALA A 35 -1.660 34.074 10.558 1.00 0.21 C HETATM 886 O ALA A 35 -2.256 34.101 9.478 1.00 -0.39 O HETATM 887 N ALA A 35 -0.456 33.538 10.703 1.00 -0.26 N HETATM 888 CA ALA A 35 0.220 32.923 9.580 1.00 0.13 C HETATM 889 CB ALA A 35 1.035 33.932 8.764 1.00 -0.01 C HETATM 890 CG ALA A 35 2.272 34.446 9.497 1.00 -0.04 C HETATM 891 CD ALA A 35 3.094 35.437 8.683 1.00 -0.01 C HETATM 892 CE ALA A 35 4.113 36.192 9.547 1.00 -0.03 C HETATM 893 NZ ALA A 35 5.318 36.720 8.777 1.00 0.24 N HETATM 894 CM1 ALA A 35 4.903 37.641 7.677 1.00 -0.04 C HETATM 895 H38 ALA A 35 5.795 38.002 7.144 1.00 0.08 H HETATM 896 H39 ALA A 35 4.358 38.497 8.101 1.00 0.08 H HETATM 897 H40 ALA A 35 4.250 37.102 6.975 1.00 0.08 H HETATM 898 CM2 ALA A 35 6.186 35.711 8.087 1.00 -0.04 C HETATM 899 H41 ALA A 35 6.548 34.976 8.821 1.00 0.08 H HETATM 900 H42 ALA A 35 7.044 36.221 7.624 1.00 0.08 H HETATM 901 H43 ALA A 35 5.603 35.196 7.310 1.00 0.08 H HETATM 902 CM3 ALA A 35 6.192 37.494 9.706 1.00 -0.04 C HETATM 903 H44 ALA A 35 5.589 38.248 10.234 1.00 0.08 H HETATM 904 H45 ALA A 35 6.985 37.995 9.132 1.00 0.08 H HETATM 905 H46 ALA A 35 6.646 36.810 10.438 1.00 0.08 H HETATM 906 H36 ALA A 35 4.476 35.508 10.329 1.00 0.08 H HETATM 907 H37 ALA A 35 3.602 37.046 10.015 1.00 0.08 H HETATM 908 H34 ALA A 35 2.413 36.166 8.220 1.00 0.03 H HETATM 909 H35 ALA A 35 3.634 34.888 7.897 1.00 0.03 H HETATM 910 H32 ALA A 35 2.911 33.586 9.746 1.00 0.03 H HETATM 911 H33 ALA A 35 1.947 34.942 10.423 1.00 0.03 H HETATM 912 H30 ALA A 35 0.390 34.790 8.525 1.00 0.03 H HETATM 913 H31 ALA A 35 1.359 33.446 7.832 1.00 0.03 H HETATM 914 C ALA A 35 1.128 31.819 10.095 1.00 0.20 C HETATM 915 O ALA A 35 1.568 31.837 11.247 1.00 -0.39 O HETATM 916 N ALA A 35 1.387 30.852 9.228 1.00 -0.26 N HETATM 917 CA ALA A 35 2.258 29.736 9.546 1.00 0.13 C HETATM 918 CB ALA A 35 1.727 28.460 8.896 1.00 0.00 C HETATM 919 CG ALA A 35 0.320 28.078 9.302 1.00 0.04 C HETATM 920 CD ALA A 35 0.299 27.238 10.555 1.00 0.17 C HETATM 921 NE2 ALA A 35 -0.303 26.057 10.468 1.00 -0.30 N HETATM 922 H53 ALA A 35 -0.347 25.458 11.268 1.00 0.18 H HETATM 923 H54 ALA A 35 -0.712 25.767 9.603 1.00 0.18 H HETATM 924 OE1 ALA A 35 0.821 27.640 11.587 1.00 -0.40 O HETATM 925 H51 ALA A 35 -0.142 27.506 8.484 1.00 0.05 H HETATM 926 H52 ALA A 35 -0.259 28.996 9.481 1.00 0.05 H HETATM 927 H49 ALA A 35 2.398 27.632 9.169 1.00 0.03 H HETATM 928 H50 ALA A 35 1.742 28.600 7.805 1.00 0.03 H HETATM 929 C ALA A 35 3.607 30.083 8.940 1.00 0.20 C HETATM 930 O ALA A 35 3.682 30.447 7.770 1.00 -0.39 O HETATM 931 N ALA A 35 4.668 29.986 9.730 1.00 -0.26 N HETATM 932 CA ALA A 35 6.001 30.288 9.219 1.00 0.16 C HETATM 933 CB ALA A 35 7.074 30.073 10.300 1.00 0.09 C HETATM 934 CG2 ALA A 35 8.465 30.355 9.738 1.00 -0.03 C HETATM 935 H59 ALA A 35 9.217 30.196 10.525 1.00 0.03 H HETATM 936 H60 ALA A 35 8.515 31.397 9.388 1.00 0.03 H HETATM 937 H61 ALA A 35 8.665 29.675 8.896 1.00 0.03 H HETATM 938 OG1 ALA A 35 6.819 30.954 11.400 1.00 -0.39 O HETATM 939 H58 ALA A 35 5.953 30.779 11.750 1.00 0.21 H HETATM 940 H57 ALA A 35 7.031 29.031 10.649 1.00 0.06 H HETATM 941 C ALA A 35 6.260 29.354 8.034 1.00 0.21 C HETATM 942 O ALA A 35 5.975 28.157 8.103 1.00 -0.39 O HETATM 943 N ALA A 35 6.788 29.910 6.948 1.00 -0.26 N HETATM 944 CA ALA A 35 7.058 29.125 5.745 1.00 0.13 C HETATM 945 CB ALA A 35 5.946 29.342 4.725 1.00 -0.02 C HETATM 946 H64 ALA A 35 6.155 28.749 3.823 1.00 0.03 H HETATM 947 H65 ALA A 35 5.895 30.408 4.459 1.00 0.03 H HETATM 948 H66 ALA A 35 4.985 29.026 5.157 1.00 0.03 H HETATM 949 C ALA A 35 8.402 29.536 5.150 1.00 0.20 C HETATM 950 O ALA A 35 8.732 30.719 5.106 1.00 -0.39 O HETATM 951 N ALA A 35 9.157 28.540 4.690 1.00 -0.26 N HETATM 952 CA ALA A 35 10.478 28.735 4.070 1.00 0.14 C HETATM 953 CB ALA A 35 10.416 29.845 3.018 1.00 -0.01 C HETATM 954 CG ALA A 35 9.378 29.600 1.936 1.00 -0.02 C HETATM 955 CD ALA A 35 9.235 30.809 1.027 1.00 0.06 C HETATM 956 NE ALA A 35 8.863 32.008 1.774 1.00 -0.27 N HETATM 957 CZ ALA A 35 8.649 33.199 1.223 1.00 0.29 C HETATM 958 NH2 ALA A 35 8.319 34.234 1.985 1.00 -0.28 N HETATM 959 H78 ALA A 35 8.227 34.115 3.004 1.00 0.26 H HETATM 960 H79 ALA A 35 8.155 35.157 1.558 1.00 0.26 H HETATM 961 NH1 ALA A 35 8.766 33.360 -0.090 1.00 -0.28 N HETATM 962 H76 ALA A 35 8.599 34.285 -0.512 1.00 0.26 H HETATM 963 H77 ALA A 35 9.024 32.560 -0.686 1.00 0.26 H HETATM 964 H75 ALA A 35 8.760 31.925 2.796 1.00 0.26 H HETATM 965 H73 ALA A 35 8.457 30.601 0.277 1.00 0.07 H HETATM 966 H74 ALA A 35 10.194 30.989 0.520 1.00 0.07 H HETATM 967 H71 ALA A 35 8.408 29.391 2.410 1.00 0.03 H HETATM 968 H72 ALA A 35 9.686 28.733 1.333 1.00 0.03 H HETATM 969 H69 ALA A 35 11.403 29.927 2.540 1.00 0.03 H HETATM 970 H70 ALA A 35 10.174 30.791 3.524 1.00 0.03 H HETATM 971 C ALA A 35 11.499 29.090 5.151 1.00 0.26 C HETATM 972 O ALA A 35 12.487 28.340 5.288 1.00 -0.37 O HETATM 973 O1 ALA A 35 11.339 30.163 5.920 1.00 -0.29 O HETATM 974 H80 ALA A 35 10.538 30.611 5.675 1.00 0.25 H HETATM 975 H68 ALA A 35 10.785 27.799 3.580 1.00 0.08 H HETATM 976 H67 ALA A 35 8.807 27.607 4.770 1.00 0.19 H HETATM 977 H63 ALA A 35 7.096 28.059 6.013 1.00 0.08 H HETATM 978 H62 ALA A 35 7.005 30.886 6.954 1.00 0.19 H HETATM 979 H56 ALA A 35 6.037 31.335 8.882 1.00 0.08 H HETATM 980 H55 ALA A 35 4.554 29.704 10.682 1.00 0.19 H HETATM 981 H48 ALA A 35 2.339 29.601 10.635 1.00 0.08 H HETATM 982 H47 ALA A 35 0.967 30.892 8.321 1.00 0.19 H HETATM 983 H29 ALA A 35 -0.539 32.480 8.919 1.00 0.08 H HETATM 984 H28 ALA A 35 -0.010 33.559 11.598 1.00 0.19 H HETATM 985 H22 ALA A 35 -1.528 35.243 12.370 1.00 0.08 H HETATM 986 H21 ALA A 35 -3.985 35.269 10.684 1.00 0.19 H HETATM 987 H9 ALA A 35 -5.188 37.082 10.675 1.00 0.08 H HETATM 988 H8 ALA A 35 -5.410 38.318 13.400 1.00 0.19 H HETATM 989 H4 ALA A 35 -7.826 38.361 14.015 1.00 0.11 H HETATM 990 H1 ALA A 35 -9.615 36.816 14.454 1.00 0.20 H HETATM 991 H2 ALA A 35 -8.931 35.673 13.487 1.00 0.20 H HETATM 992 H3 ALA A 35 -9.474 37.084 12.836 1.00 0.20 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 72 71 76 811 CONECT 102 101 106 811 CONECT 257 256 261 812 CONECT 326 325 330 812 CONECT 430 429 432 811 CONECT 476 475 480 811 CONECT 700 699 704 812 CONECT 747 746 751 812 CONECT 811 72 102 430 476 CONECT 812 257 326 700 747 CONECT 845 846 990 991 992 CONECT 846 845 847 851 989 CONECT 847 846 848 849 850 CONECT 848 847 CONECT 849 847 CONECT 850 847 CONECT 851 846 852 853 CONECT 852 851 CONECT 853 851 854 988 CONECT 854 853 855 873 987 CONECT 855 854 856 871 872 CONECT 856 855 857 869 870 CONECT 857 856 858 867 868 CONECT 858 857 859 866 CONECT 859 858 860 863 CONECT 860 859 861 862 CONECT 861 860 CONECT 862 860 CONECT 863 859 864 865 CONECT 864 863 CONECT 865 863 CONECT 866 858 CONECT 867 857 CONECT 868 857 CONECT 869 856 CONECT 870 856 CONECT 871 855 CONECT 872 855 CONECT 873 854 874 875 CONECT 874 873 CONECT 875 873 876 986 CONECT 876 875 877 885 985 CONECT 877 876 878 882 884 CONECT 878 877 879 880 881 CONECT 879 878 CONECT 880 878 CONECT 881 878 CONECT 882 877 883 CONECT 883 882 CONECT 884 877 CONECT 885 876 886 887 CONECT 886 885 CONECT 887 885 888 984 CONECT 888 887 889 914 983 CONECT 889 888 890 912 913 CONECT 890 889 891 910 911 CONECT 891 890 892 908 909 CONECT 892 891 893 906 907 CONECT 893 892 894 898 902 CONECT 894 893 895 896 897 CONECT 895 894 CONECT 896 894 CONECT 897 894 CONECT 898 893 899 900 901 CONECT 899 898 CONECT 900 898 CONECT 901 898 CONECT 902 893 903 904 905 CONECT 903 902 CONECT 904 902 CONECT 905 902 CONECT 906 892 CONECT 907 892 CONECT 908 891 CONECT 909 891 CONECT 910 890 CONECT 911 890 CONECT 912 889 CONECT 913 889 CONECT 914 888 915 916 CONECT 915 914 CONECT 916 914 917 982 CONECT 917 916 918 929 981 CONECT 918 917 919 927 928 CONECT 919 918 920 925 926 CONECT 920 919 921 924 CONECT 921 920 922 923 CONECT 922 921 CONECT 923 921 CONECT 924 920 CONECT 925 919 CONECT 926 919 CONECT 927 918 CONECT 928 918 CONECT 929 917 930 931 CONECT 930 929 CONECT 931 929 932 980 CONECT 932 931 933 941 979 CONECT 933 932 934 938 940 CONECT 934 933 935 936 937 CONECT 935 934 CONECT 936 934 CONECT 937 934 CONECT 938 933 939 CONECT 939 938 CONECT 940 933 CONECT 941 932 942 943 CONECT 942 941 CONECT 943 941 944 978 CONECT 944 943 945 949 977 CONECT 945 944 946 947 948 CONECT 946 945 CONECT 947 945 CONECT 948 945 CONECT 949 944 950 951 CONECT 950 949 CONECT 951 949 952 976 CONECT 952 951 953 971 975 CONECT 953 952 954 969 970 CONECT 954 953 955 967 968 CONECT 955 954 956 965 966 CONECT 956 955 957 964 CONECT 957 956 958 961 CONECT 958 957 959 960 CONECT 959 958 CONECT 960 958 CONECT 961 957 962 963 CONECT 962 961 CONECT 963 961 CONECT 964 956 CONECT 965 955 CONECT 966 955 CONECT 967 954 CONECT 968 954 CONECT 969 953 CONECT 970 953 CONECT 971 952 972 973 CONECT 972 971 CONECT 973 971 974 CONECT 974 973 CONECT 975 952 CONECT 976 951 CONECT 977 944 CONECT 978 943 CONECT 979 932 CONECT 980 931 CONECT 981 917 CONECT 982 916 CONECT 983 888 CONECT 984 887 CONECT 985 876 CONECT 986 875 CONECT 987 854 CONECT 988 853 CONECT 989 846 CONECT 990 845 CONECT 991 845 CONECT 992 845 MASTER 0 0 0 0 0 0 0 0 991 1 162 4 END
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12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
2g6q
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
mouse Inhibitor of growth protein 2
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=1.5uM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
(2006) Nature Vol. 442: pp. 100-103
Ligand Properties
Formula
C
4
0
H
8
0
N
1
6
O
1
2
Molecular Weight
977.163
Exact Mass
976.614
No. of atoms
148
No. of bonds
147
Polar Surface Area
484.21
LOGP Value
-4.60 (
Computed with XLOGP3
)
-5.48 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 43
No. of Nitrogen and Oxygen Atoms: 28
No. of Rings: 0
Canonical SMILES
NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC[NH+]=C(N)N)C)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C
InChI String
InChI=1S/C40H76N16O12/c1-20(41)31(60)50-25(13-10-17-47-39(43)44)34(63)55-30(23(4)58)37(66)52-24(12-8-9-19-56(5,6)7)33(62)51-26(15-16-28(42)59)35(64)54-29(22(3)57)36(65)49-21(2)32(61)53-27(38(67)68)14-11-18-48-40(45)46/h20-27,29-30,57-58H,8-19,41H2,1-7H3,(H17-,42,43,44,45,46,47,48,49,50,51,52,53,54,55,59,60,61,62,63,64,65,66,67,68)/p+4/t20-,21-,22+,23+,24-,25-,26-,27-,29-,30-/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):
Q9ESK4
Entrez Gene ID
NCBI Entrez Gene ID:
69260
ASD
Information of known allosteric effects of PDB entries
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