Browse entries in the PDBbind-CN Database
HEADER 1IMX_COMPLEX COMPND 1IMX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 32 GLU THR LEU CYS GLY ALA GLU LEU VAL ASP ALA LEU GLN SEQRES 2 A 32 PHE VAL CYS GLY ASP ARG GLY PHE TYR PHE ASN LYS PRO SEQRES 3 A 32 THR GLY TYR GLY SER SER SEQRES 1 A 24 THR GLY ILE VAL ASP GLU CYS CYS PHE ARG SER CYS ASP SEQRES 2 A 24 LEU ARG ARG LEU GLU MET TYR CYS ALA PRO LEU HET CPQ A 104 135 SSBOND 1 CYS A 6 CYS A 48 SSBOND 2 CYS A 47 CYS A 52 SSBOND 3 CYS A 18 CYS A 61 ATOM 1 N GLU A 3 21.345 23.186 19.281 1.00 40.58 N ATOM 2 CA GLU A 3 21.763 23.360 20.702 1.00 39.28 C ATOM 3 C GLU A 3 22.290 22.034 21.238 1.00 36.12 C ATOM 4 O GLU A 3 21.547 21.053 21.341 1.00 34.69 O ATOM 5 CB GLU A 3 20.574 23.829 21.544 1.00 43.29 C ATOM 6 CG GLU A 3 20.929 24.248 22.961 1.00 47.70 C ATOM 7 CD GLU A 3 21.855 25.450 23.005 1.00 51.18 C ATOM 8 OE1 GLU A 3 23.016 25.333 22.555 1.00 53.19 O ATOM 9 OE2 GLU A 3 21.417 26.516 23.491 1.00 53.34 O ATOM 10 HA GLU A 3 22.550 24.112 20.758 1.00 0.00 H ATOM 11 HB2 GLU A 3 20.116 24.681 21.042 1.00 0.00 H ATOM 12 HB3 GLU A 3 19.854 23.013 21.601 1.00 0.00 H ATOM 13 HG2 GLU A 3 20.010 24.497 23.491 1.00 0.00 H ATOM 14 HG3 GLU A 3 21.420 23.412 23.459 1.00 0.00 H ATOM 15 HN3 GLU A 3 20.597 22.466 19.227 1.00 0.00 H ATOM 16 HN2 GLU A 3 22.163 22.881 18.715 1.00 0.00 H ATOM 17 HN1 GLU A 3 20.985 24.090 18.914 1.00 0.00 H ATOM 18 N THR A 4 23.577 22.006 21.570 1.00 32.31 N ATOM 19 CA THR A 4 24.198 20.790 22.081 1.00 28.03 C ATOM 20 C THR A 4 24.819 21.025 23.459 1.00 25.42 C ATOM 21 O THR A 4 24.815 22.142 23.979 1.00 24.26 O ATOM 22 CB THR A 4 25.302 20.275 21.124 1.00 27.05 C ATOM 23 OG1 THR A 4 26.390 21.207 21.103 1.00 30.04 O ATOM 24 CG2 THR A 4 24.759 20.119 19.705 1.00 30.38 C ATOM 25 HA THR A 4 23.408 20.043 22.158 1.00 0.00 H ATOM 26 HB THR A 4 25.642 19.304 21.483 1.00 0.00 H ATOM 27 HG1 THR A 4 27.094 20.876 20.491 1.00 0.00 H ATOM 28 HG23 THR A 4 23.930 19.411 19.710 1.00 0.00 H ATOM 29 HG21 THR A 4 24.410 21.086 19.342 1.00 0.00 H ATOM 30 HG22 THR A 4 25.550 19.749 19.053 1.00 0.00 H ATOM 31 H THR A 4 24.151 22.867 21.463 1.00 0.00 H ATOM 32 N LEU A 5 25.352 19.960 24.043 1.00 23.00 N ATOM 33 CA LEU A 5 25.973 20.038 25.363 1.00 20.75 C ATOM 34 C LEU A 5 27.440 19.652 25.278 1.00 21.04 C ATOM 35 O LEU A 5 27.760 18.511 24.968 1.00 19.87 O ATOM 36 CB LEU A 5 25.267 19.090 26.330 1.00 22.80 C ATOM 37 CG LEU A 5 23.833 19.428 26.732 1.00 23.29 C ATOM 38 CD1 LEU A 5 23.208 18.236 27.457 1.00 23.30 C ATOM 39 CD2 LEU A 5 23.837 20.660 27.606 1.00 23.89 C ATOM 40 HA LEU A 5 25.887 21.063 25.723 1.00 0.00 H ATOM 41 HB2 LEU A 5 25.252 18.103 25.867 1.00 0.00 H ATOM 42 HB3 LEU A 5 25.862 19.053 27.243 1.00 0.00 H ATOM 43 HG LEU A 5 23.235 19.636 25.845 1.00 0.00 H ATOM 44 HD21 LEU A 5 24.432 20.468 28.499 1.00 0.00 H ATOM 45 HD22 LEU A 5 24.268 21.495 27.053 1.00 0.00 H ATOM 46 HD23 LEU A 5 22.814 20.903 27.894 1.00 0.00 H ATOM 47 HD11 LEU A 5 23.204 17.371 26.794 1.00 0.00 H ATOM 48 HD12 LEU A 5 23.791 18.009 28.350 1.00 0.00 H ATOM 49 HD13 LEU A 5 22.185 18.481 27.742 1.00 0.00 H ATOM 50 H LEU A 5 25.327 19.046 23.548 1.00 0.00 H ATOM 51 N CYS A 6 28.325 20.596 25.571 1.00 22.34 N ATOM 52 CA CYS A 6 29.754 20.318 25.518 1.00 23.49 C ATOM 53 C CYS A 6 30.466 20.794 26.775 1.00 21.36 C ATOM 54 O CYS A 6 29.958 21.639 27.503 1.00 21.75 O ATOM 55 CB CYS A 6 30.390 21.014 24.318 1.00 25.95 C ATOM 56 SG CYS A 6 29.722 20.565 22.681 1.00 32.41 S ATOM 57 HA CYS A 6 29.862 19.237 25.432 1.00 0.00 H ATOM 58 HB2 CYS A 6 31.454 20.776 24.320 1.00 0.00 H ATOM 59 HB3 CYS A 6 30.259 22.088 24.448 1.00 0.00 H ATOM 60 H CYS A 6 27.995 21.544 25.841 1.00 0.00 H ATOM 61 N GLY A 7 31.653 20.245 27.012 1.00 22.02 N ATOM 62 CA GLY A 7 32.445 20.648 28.160 1.00 21.33 C ATOM 63 C GLY A 7 31.727 20.660 29.494 1.00 19.79 C ATOM 64 O GLY A 7 31.070 19.688 29.858 1.00 19.16 O ATOM 65 HA3 GLY A 7 32.816 21.656 27.972 1.00 0.00 H ATOM 66 HA2 GLY A 7 33.288 19.961 28.241 1.00 0.00 H ATOM 67 H GLY A 7 32.019 19.517 26.366 1.00 0.00 H ATOM 68 N ALA A 8 31.859 21.763 30.227 1.00 18.95 N ATOM 69 CA ALA A 8 31.240 21.895 31.539 1.00 19.05 C ATOM 70 C ALA A 8 29.720 21.775 31.502 1.00 19.49 C ATOM 71 O ALA A 8 29.117 21.255 32.440 1.00 17.58 O ATOM 72 CB ALA A 8 31.636 23.226 32.172 1.00 21.91 C ATOM 73 HA ALA A 8 31.609 21.065 32.142 1.00 0.00 H ATOM 74 HB1 ALA A 8 32.720 23.267 32.281 1.00 0.00 H ATOM 75 HB2 ALA A 8 31.302 24.044 31.534 1.00 0.00 H ATOM 76 HB3 ALA A 8 31.168 23.314 33.152 1.00 0.00 H ATOM 77 H ALA A 8 32.421 22.554 29.852 1.00 0.00 H ATOM 78 N GLU A 9 29.103 22.272 30.432 1.00 19.90 N ATOM 79 CA GLU A 9 27.648 22.195 30.309 1.00 22.32 C ATOM 80 C GLU A 9 27.196 20.741 30.267 1.00 20.10 C ATOM 81 O GLU A 9 26.156 20.387 30.827 1.00 18.44 O ATOM 82 CB GLU A 9 27.170 22.921 29.044 1.00 23.26 C ATOM 83 CG GLU A 9 27.153 24.436 29.162 1.00 33.59 C ATOM 84 CD GLU A 9 26.747 25.128 27.865 1.00 40.51 C ATOM 85 OE1 GLU A 9 25.691 24.772 27.288 1.00 41.76 O ATOM 86 OE2 GLU A 9 27.486 26.037 27.427 1.00 46.41 O ATOM 87 HA GLU A 9 27.209 22.682 31.180 1.00 0.00 H ATOM 88 HB2 GLU A 9 27.833 22.650 28.223 1.00 0.00 H ATOM 89 HB3 GLU A 9 26.158 22.584 28.818 1.00 0.00 H ATOM 90 HG2 GLU A 9 26.446 24.716 29.942 1.00 0.00 H ATOM 91 HG3 GLU A 9 28.151 24.775 29.440 1.00 0.00 H ATOM 92 H GLU A 9 29.661 22.719 29.677 1.00 0.00 H ATOM 93 N LEU A 10 27.988 19.906 29.601 1.00 18.27 N ATOM 94 CA LEU A 10 27.688 18.489 29.464 1.00 19.45 C ATOM 95 C LEU A 10 27.833 17.797 30.805 1.00 18.61 C ATOM 96 O LEU A 10 27.012 16.967 31.162 1.00 18.14 O ATOM 97 CB LEU A 10 28.625 17.834 28.439 1.00 17.40 C ATOM 98 CG LEU A 10 28.493 16.318 28.247 1.00 17.55 C ATOM 99 CD1 LEU A 10 27.070 15.981 27.806 1.00 19.10 C ATOM 100 CD2 LEU A 10 29.503 15.836 27.210 1.00 20.59 C ATOM 101 HA LEU A 10 26.661 18.387 29.114 1.00 0.00 H ATOM 102 HB2 LEU A 10 28.439 18.306 27.474 1.00 0.00 H ATOM 103 HB3 LEU A 10 29.649 18.039 28.751 1.00 0.00 H ATOM 104 HG LEU A 10 28.698 15.812 29.191 1.00 0.00 H ATOM 105 HD21 LEU A 10 29.314 16.337 26.261 1.00 0.00 H ATOM 106 HD22 LEU A 10 30.512 16.069 27.551 1.00 0.00 H ATOM 107 HD23 LEU A 10 29.402 14.758 27.080 1.00 0.00 H ATOM 108 HD11 LEU A 10 26.366 16.313 28.569 1.00 0.00 H ATOM 109 HD12 LEU A 10 26.853 16.487 26.865 1.00 0.00 H ATOM 110 HD13 LEU A 10 26.979 14.903 27.670 1.00 0.00 H ATOM 111 H LEU A 10 28.854 20.280 29.162 1.00 0.00 H ATOM 112 N VAL A 11 28.881 18.145 31.544 1.00 18.70 N ATOM 113 CA VAL A 11 29.112 17.550 32.852 1.00 16.93 C ATOM 114 C VAL A 11 28.022 17.975 33.830 1.00 16.76 C ATOM 115 O VAL A 11 27.551 17.152 34.623 1.00 15.91 O ATOM 116 CB VAL A 11 30.497 17.947 33.409 1.00 18.06 C ATOM 117 CG1 VAL A 11 30.688 17.361 34.802 1.00 18.45 C ATOM 118 CG2 VAL A 11 31.590 17.425 32.478 1.00 19.40 C ATOM 119 HA VAL A 11 29.086 16.467 32.734 1.00 0.00 H ATOM 120 HB VAL A 11 30.559 19.034 33.470 1.00 0.00 H ATOM 121 HG11 VAL A 11 29.912 17.743 35.465 1.00 0.00 H ATOM 122 HG12 VAL A 11 30.621 16.274 34.750 1.00 0.00 H ATOM 123 HG13 VAL A 11 31.668 17.648 35.184 1.00 0.00 H ATOM 124 HG21 VAL A 11 31.522 16.339 32.413 1.00 0.00 H ATOM 125 HG22 VAL A 11 31.459 17.859 31.487 1.00 0.00 H ATOM 126 HG23 VAL A 11 32.566 17.706 32.873 1.00 0.00 H ATOM 127 H VAL A 11 29.548 18.855 31.181 1.00 0.00 H ATOM 128 N ASP A 12 27.617 19.246 33.773 1.00 17.21 N ATOM 129 CA ASP A 12 26.545 19.750 34.644 1.00 18.82 C ATOM 130 C ASP A 12 25.275 18.943 34.378 1.00 17.00 C ATOM 131 O ASP A 12 24.578 18.538 35.304 1.00 16.81 O ATOM 132 CB ASP A 12 26.199 21.225 34.361 1.00 20.21 C ATOM 133 CG ASP A 12 27.135 22.216 35.041 1.00 28.80 C ATOM 134 OD1 ASP A 12 27.539 21.989 36.197 1.00 30.36 O ATOM 135 OD2 ASP A 12 27.433 23.256 34.416 1.00 32.22 O ATOM 136 HA ASP A 12 26.898 19.657 35.671 1.00 0.00 H ATOM 137 HB2 ASP A 12 26.247 21.389 33.285 1.00 0.00 H ATOM 138 HB3 ASP A 12 25.184 21.414 34.711 1.00 0.00 H ATOM 139 H ASP A 12 28.070 19.894 33.097 1.00 0.00 H ATOM 140 N ALA A 13 24.965 18.729 33.104 1.00 17.79 N ATOM 141 CA ALA A 13 23.758 17.986 32.739 1.00 16.89 C ATOM 142 C ALA A 13 23.801 16.566 33.268 1.00 14.97 C ATOM 143 O ALA A 13 22.814 16.064 33.792 1.00 17.49 O ATOM 144 CB ALA A 13 23.572 17.971 31.210 1.00 14.93 C ATOM 145 HA ALA A 13 22.909 18.495 33.196 1.00 0.00 H ATOM 146 HB1 ALA A 13 23.481 18.994 30.846 1.00 0.00 H ATOM 147 HB2 ALA A 13 24.435 17.494 30.745 1.00 0.00 H ATOM 148 HB3 ALA A 13 22.669 17.414 30.961 1.00 0.00 H ATOM 149 H ALA A 13 25.588 19.094 32.356 1.00 0.00 H ATOM 150 N LEU A 14 24.949 15.913 33.134 1.00 15.67 N ATOM 151 CA LEU A 14 25.086 14.548 33.618 1.00 18.93 C ATOM 152 C LEU A 14 24.970 14.472 35.133 1.00 18.34 C ATOM 153 O LEU A 14 24.328 13.566 35.662 1.00 20.26 O ATOM 154 CB LEU A 14 26.422 13.961 33.171 1.00 18.87 C ATOM 155 CG LEU A 14 26.467 13.635 31.678 1.00 21.41 C ATOM 156 CD1 LEU A 14 27.904 13.344 31.265 1.00 21.95 C ATOM 157 CD2 LEU A 14 25.559 12.447 31.384 1.00 23.31 C ATOM 158 HA LEU A 14 24.270 13.965 33.190 1.00 0.00 H ATOM 159 HB2 LEU A 14 27.209 14.682 33.392 1.00 0.00 H ATOM 160 HB3 LEU A 14 26.603 13.044 33.732 1.00 0.00 H ATOM 161 HG LEU A 14 26.109 14.488 31.101 1.00 0.00 H ATOM 162 HD21 LEU A 14 25.899 11.582 31.954 1.00 0.00 H ATOM 163 HD22 LEU A 14 24.536 12.693 31.670 1.00 0.00 H ATOM 164 HD23 LEU A 14 25.595 12.219 30.319 1.00 0.00 H ATOM 165 HD11 LEU A 14 28.523 14.219 31.465 1.00 0.00 H ATOM 166 HD12 LEU A 14 28.279 12.494 31.835 1.00 0.00 H ATOM 167 HD13 LEU A 14 27.935 13.112 30.200 1.00 0.00 H ATOM 168 H LEU A 14 25.758 16.382 32.679 1.00 0.00 H ATOM 169 N GLN A 15 25.599 15.408 35.835 1.00 18.83 N ATOM 170 CA GLN A 15 25.530 15.394 37.296 1.00 20.82 C ATOM 171 C GLN A 15 24.092 15.594 37.756 1.00 20.67 C ATOM 172 O GLN A 15 23.660 15.000 38.737 1.00 21.67 O ATOM 173 CB GLN A 15 26.433 16.479 37.902 1.00 23.04 C ATOM 174 CG GLN A 15 27.904 16.332 37.526 1.00 27.53 C ATOM 175 CD GLN A 15 28.806 17.317 38.255 1.00 32.52 C ATOM 176 OE1 GLN A 15 29.329 17.021 39.327 1.00 37.34 O ATOM 177 NE2 GLN A 15 28.984 18.495 37.677 1.00 34.41 N ATOM 178 HA GLN A 15 25.884 14.423 37.642 1.00 0.00 H ATOM 179 HB2 GLN A 15 26.084 17.451 37.554 1.00 0.00 H ATOM 180 HB3 GLN A 15 26.348 16.431 38.988 1.00 0.00 H ATOM 181 HG2 GLN A 15 28.226 15.320 37.770 1.00 0.00 H ATOM 182 HG3 GLN A 15 28.006 16.495 36.453 1.00 0.00 H ATOM 183 HE22 GLN A 15 28.522 18.704 36.769 1.00 0.00 H ATOM 184 HE21 GLN A 15 29.586 19.211 38.131 1.00 0.00 H ATOM 185 H GLN A 15 26.140 16.150 35.346 1.00 0.00 H ATOM 186 N PHE A 16 23.345 16.425 37.042 1.00 21.19 N ATOM 187 CA PHE A 16 21.957 16.675 37.412 1.00 20.83 C ATOM 188 C PHE A 16 21.060 15.477 37.109 1.00 21.49 C ATOM 189 O PHE A 16 20.275 15.039 37.960 1.00 21.46 O ATOM 190 CB PHE A 16 21.413 17.895 36.672 1.00 21.79 C ATOM 191 CG PHE A 16 20.010 18.257 37.071 1.00 23.48 C ATOM 192 CD1 PHE A 16 19.769 18.915 38.272 1.00 26.61 C ATOM 193 CD2 PHE A 16 18.927 17.902 36.270 1.00 24.91 C ATOM 194 CE1 PHE A 16 18.464 19.217 38.678 1.00 27.63 C ATOM 195 CE2 PHE A 16 17.617 18.195 36.660 1.00 25.43 C ATOM 196 CZ PHE A 16 17.385 18.856 37.869 1.00 27.34 C ATOM 197 HA PHE A 16 21.948 16.855 38.487 1.00 0.00 H ATOM 198 HB2 PHE A 16 22.063 18.745 36.882 1.00 0.00 H ATOM 199 HB3 PHE A 16 21.425 17.685 35.603 1.00 0.00 H ATOM 200 HD2 PHE A 16 19.104 17.388 35.325 1.00 0.00 H ATOM 201 HE2 PHE A 16 16.780 17.909 36.023 1.00 0.00 H ATOM 202 HZ PHE A 16 16.366 19.089 38.179 1.00 0.00 H ATOM 203 HE1 PHE A 16 18.291 19.732 39.623 1.00 0.00 H ATOM 204 HD1 PHE A 16 20.608 19.200 38.906 1.00 0.00 H ATOM 205 H PHE A 16 23.752 16.902 36.212 1.00 0.00 H ATOM 206 N VAL A 17 21.175 14.948 35.894 1.00 20.63 N ATOM 207 CA VAL A 17 20.361 13.811 35.478 1.00 22.47 C ATOM 208 C VAL A 17 20.721 12.504 36.183 1.00 23.97 C ATOM 209 O VAL A 17 19.843 11.718 36.548 1.00 24.72 O ATOM 210 CB VAL A 17 20.462 13.592 33.943 1.00 23.54 C ATOM 211 CG1 VAL A 17 19.797 12.278 33.543 1.00 23.66 C ATOM 212 CG2 VAL A 17 19.809 14.749 33.220 1.00 22.83 C ATOM 213 HA VAL A 17 19.341 14.069 35.765 1.00 0.00 H ATOM 214 HB VAL A 17 21.514 13.541 33.663 1.00 0.00 H ATOM 215 HG11 VAL A 17 20.293 11.452 34.052 1.00 0.00 H ATOM 216 HG12 VAL A 17 18.745 12.303 33.828 1.00 0.00 H ATOM 217 HG13 VAL A 17 19.879 12.144 32.464 1.00 0.00 H ATOM 218 HG21 VAL A 17 18.760 14.811 33.509 1.00 0.00 H ATOM 219 HG22 VAL A 17 20.316 15.676 33.488 1.00 0.00 H ATOM 220 HG23 VAL A 17 19.882 14.591 32.144 1.00 0.00 H ATOM 221 H VAL A 17 21.861 15.354 35.226 1.00 0.00 H ATOM 222 N CYS A 18 22.008 12.269 36.393 1.00 23.54 N ATOM 223 CA CYS A 18 22.420 11.024 37.020 1.00 26.98 C ATOM 224 C CYS A 18 22.367 11.045 38.544 1.00 28.88 C ATOM 225 O CYS A 18 22.364 9.994 39.186 1.00 28.42 O ATOM 226 CB CYS A 18 23.819 10.655 36.546 1.00 24.14 C ATOM 227 SG CYS A 18 23.954 10.474 34.742 1.00 25.19 S ATOM 228 HA CYS A 18 21.697 10.269 36.711 1.00 0.00 H ATOM 229 HB2 CYS A 18 24.102 9.710 37.009 1.00 0.00 H ATOM 230 HB3 CYS A 18 24.509 11.436 36.867 1.00 0.00 H ATOM 231 H CYS A 18 22.720 12.972 36.110 1.00 0.00 H ATOM 232 N GLY A 19 22.318 12.240 39.118 1.00 32.48 N ATOM 233 CA GLY A 19 22.264 12.358 40.563 1.00 36.05 C ATOM 234 C GLY A 19 23.499 11.779 41.219 1.00 39.06 C ATOM 235 O GLY A 19 24.613 12.222 40.945 1.00 40.69 O ATOM 236 HA3 GLY A 19 21.387 11.825 40.929 1.00 0.00 H ATOM 237 HA2 GLY A 19 22.184 13.412 40.829 1.00 0.00 H ATOM 238 H GLY A 19 22.318 13.097 38.529 1.00 0.00 H ATOM 239 N ASP A 20 23.308 10.778 42.074 1.00 40.39 N ATOM 240 CA ASP A 20 24.420 10.149 42.779 1.00 41.55 C ATOM 241 C ASP A 20 24.964 8.897 42.099 1.00 39.89 C ATOM 242 O ASP A 20 25.958 8.326 42.546 1.00 39.78 O ATOM 243 CB ASP A 20 23.998 9.806 44.206 1.00 46.52 C ATOM 244 CG ASP A 20 23.478 11.010 44.958 1.00 50.03 C ATOM 245 OD1 ASP A 20 24.218 12.012 45.051 1.00 54.04 O ATOM 246 OD2 ASP A 20 22.333 10.955 45.456 1.00 51.23 O ATOM 247 HA ASP A 20 25.230 10.879 42.773 1.00 0.00 H ATOM 248 HB2 ASP A 20 23.213 9.051 44.167 1.00 0.00 H ATOM 249 HB3 ASP A 20 24.860 9.405 44.739 1.00 0.00 H ATOM 250 H ASP A 20 22.341 10.435 42.244 1.00 0.00 H ATOM 251 N ARG A 21 24.320 8.474 41.018 1.00 37.36 N ATOM 252 CA ARG A 21 24.755 7.286 40.295 1.00 36.71 C ATOM 253 C ARG A 21 26.133 7.394 39.653 1.00 36.07 C ATOM 254 O ARG A 21 26.879 6.417 39.611 1.00 38.35 O ATOM 255 CB ARG A 21 23.742 6.932 39.206 1.00 37.93 C ATOM 256 CG ARG A 21 22.478 6.264 39.713 1.00 38.93 C ATOM 257 CD ARG A 21 21.509 6.039 38.564 1.00 40.09 C ATOM 258 NE ARG A 21 20.983 7.301 38.052 1.00 40.40 N ATOM 259 CZ ARG A 21 20.263 7.419 36.940 1.00 40.98 C ATOM 260 NH1 ARG A 21 19.982 6.350 36.209 1.00 37.76 N ATOM 261 NH2 ARG A 21 19.809 8.610 36.566 1.00 41.13 N ATOM 262 HA ARG A 21 24.823 6.507 41.054 1.00 0.00 H ATOM 263 HB2 ARG A 21 23.459 7.851 38.693 1.00 0.00 H ATOM 264 HB3 ARG A 21 24.224 6.256 38.499 1.00 0.00 H ATOM 265 HG2 ARG A 21 22.733 5.305 40.163 1.00 0.00 H ATOM 266 HG3 ARG A 21 22.008 6.902 40.462 1.00 0.00 H ATOM 267 HD2 ARG A 21 20.679 5.426 38.915 1.00 0.00 H ATOM 268 HD3 ARG A 21 22.028 5.519 37.759 1.00 0.00 H ATOM 269 HE ARG A 21 21.185 8.166 38.593 1.00 0.00 H ATOM 270 HH12 ARG A 21 19.419 6.448 35.340 1.00 0.00 H ATOM 271 HH11 ARG A 21 20.325 5.414 36.504 1.00 0.00 H ATOM 272 HH22 ARG A 21 19.246 8.702 35.696 1.00 0.00 H ATOM 273 HH21 ARG A 21 20.017 9.450 37.143 1.00 0.00 H ATOM 274 H ARG A 21 23.489 9.001 40.681 1.00 0.00 H ATOM 275 N GLY A 22 26.478 8.577 39.163 1.00 33.95 N ATOM 276 CA GLY A 22 27.755 8.727 38.488 1.00 29.91 C ATOM 277 C GLY A 22 27.475 8.526 37.010 1.00 27.04 C ATOM 278 O GLY A 22 26.378 8.104 36.650 1.00 25.69 O ATOM 279 HA3 GLY A 22 28.462 7.978 38.845 1.00 0.00 H ATOM 280 HA2 GLY A 22 28.162 9.723 38.664 1.00 0.00 H ATOM 281 H GLY A 22 25.839 9.391 39.261 1.00 0.00 H ATOM 282 N PHE A 23 28.451 8.808 36.154 1.00 22.68 N ATOM 283 CA PHE A 23 28.249 8.684 34.717 1.00 23.59 C ATOM 284 C PHE A 23 29.534 8.346 33.986 1.00 23.23 C ATOM 285 O PHE A 23 30.624 8.474 34.537 1.00 24.90 O ATOM 286 CB PHE A 23 27.731 10.011 34.163 1.00 24.18 C ATOM 287 CG PHE A 23 28.592 11.189 34.536 1.00 24.77 C ATOM 288 CD1 PHE A 23 28.418 11.833 35.757 1.00 27.93 C ATOM 289 CD2 PHE A 23 29.615 11.612 33.696 1.00 24.98 C ATOM 290 CE1 PHE A 23 29.256 12.888 36.142 1.00 28.52 C ATOM 291 CE2 PHE A 23 30.459 12.659 34.064 1.00 27.48 C ATOM 292 CZ PHE A 23 30.280 13.300 35.292 1.00 29.68 C ATOM 293 HA PHE A 23 27.534 7.877 34.560 1.00 0.00 H ATOM 294 HB2 PHE A 23 27.692 9.941 33.076 1.00 0.00 H ATOM 295 HB3 PHE A 23 26.726 10.180 34.551 1.00 0.00 H ATOM 296 HD2 PHE A 23 29.760 11.118 32.735 1.00 0.00 H ATOM 297 HE2 PHE A 23 31.258 12.977 33.394 1.00 0.00 H ATOM 298 HZ PHE A 23 30.938 14.118 35.584 1.00 0.00 H ATOM 299 HE1 PHE A 23 29.107 13.384 37.101 1.00 0.00 H ATOM 300 HD1 PHE A 23 27.618 11.512 36.424 1.00 0.00 H ATOM 301 H PHE A 23 29.374 9.122 36.516 1.00 0.00 H ATOM 302 N TYR A 24 29.402 7.913 32.736 1.00 23.62 N ATOM 303 CA TYR A 24 30.574 7.625 31.930 1.00 26.49 C ATOM 304 C TYR A 24 30.454 8.325 30.591 1.00 26.55 C ATOM 305 O TYR A 24 29.370 8.763 30.200 1.00 27.51 O ATOM 306 CB TYR A 24 30.780 6.118 31.710 1.00 32.44 C ATOM 307 CG TYR A 24 29.587 5.229 31.951 1.00 33.96 C ATOM 308 CD1 TYR A 24 29.450 4.525 33.148 1.00 39.32 C ATOM 309 CD2 TYR A 24 28.619 5.047 30.966 1.00 37.96 C ATOM 310 CE1 TYR A 24 28.380 3.653 33.355 1.00 39.45 C ATOM 311 CE2 TYR A 24 27.545 4.181 31.163 1.00 39.66 C ATOM 312 CZ TYR A 24 27.434 3.488 32.360 1.00 41.60 C ATOM 313 OH TYR A 24 26.380 2.624 32.560 1.00 44.95 O ATOM 314 HA TYR A 24 31.443 7.995 32.474 1.00 0.00 H ATOM 315 HB3 TYR A 24 31.576 5.792 32.380 1.00 0.00 H ATOM 316 HB2 TYR A 24 31.095 5.975 30.676 1.00 0.00 H ATOM 317 HD2 TYR A 24 28.703 5.591 30.025 1.00 0.00 H ATOM 318 HE2 TYR A 24 26.797 4.049 30.382 1.00 0.00 H ATOM 319 HE1 TYR A 24 28.291 3.106 34.294 1.00 0.00 H ATOM 320 HD1 TYR A 24 30.192 4.658 33.935 1.00 0.00 H ATOM 321 HH TYR A 24 25.528 3.123 32.492 1.00 0.00 H ATOM 322 H TYR A 24 28.453 7.780 32.333 1.00 0.00 H ATOM 323 N PHE A 25 31.575 8.454 29.896 1.00 24.85 N ATOM 324 CA PHE A 25 31.568 9.092 28.595 1.00 26.17 C ATOM 325 C PHE A 25 31.387 8.050 27.508 1.00 28.04 C ATOM 326 O PHE A 25 30.926 8.356 26.413 1.00 25.14 O ATOM 327 CB PHE A 25 32.859 9.876 28.389 1.00 26.44 C ATOM 328 CG PHE A 25 32.945 11.092 29.251 1.00 28.31 C ATOM 329 CD1 PHE A 25 33.276 10.985 30.596 1.00 29.24 C ATOM 330 CD2 PHE A 25 32.606 12.335 28.740 1.00 29.24 C ATOM 331 CE1 PHE A 25 33.262 12.105 31.423 1.00 30.62 C ATOM 332 CE2 PHE A 25 32.588 13.461 29.558 1.00 32.10 C ATOM 333 CZ PHE A 25 32.915 13.345 30.900 1.00 31.07 C ATOM 334 HA PHE A 25 30.733 9.791 28.543 1.00 0.00 H ATOM 335 HB2 PHE A 25 33.702 9.225 28.620 1.00 0.00 H ATOM 336 HB3 PHE A 25 32.916 10.185 27.345 1.00 0.00 H ATOM 337 HD2 PHE A 25 32.350 12.432 27.685 1.00 0.00 H ATOM 338 HE2 PHE A 25 32.317 14.432 29.144 1.00 0.00 H ATOM 339 HZ PHE A 25 32.900 14.224 31.544 1.00 0.00 H ATOM 340 HE1 PHE A 25 33.522 12.010 32.477 1.00 0.00 H ATOM 341 HD1 PHE A 25 33.550 10.014 31.008 1.00 0.00 H ATOM 342 H PHE A 25 32.468 8.094 30.288 1.00 0.00 H ATOM 343 N ASN A 26 31.746 6.814 27.833 1.00 29.92 N ATOM 344 CA ASN A 26 31.617 5.702 26.903 1.00 32.13 C ATOM 345 C ASN A 26 31.026 4.521 27.666 1.00 32.29 C ATOM 346 O ASN A 26 31.501 4.168 28.743 1.00 29.79 O ATOM 347 CB ASN A 26 32.985 5.330 26.317 1.00 34.82 C ATOM 348 CG ASN A 26 33.622 6.477 25.543 1.00 36.75 C ATOM 349 OD1 ASN A 26 34.271 7.351 26.120 1.00 40.47 O ATOM 350 ND2 ASN A 26 33.420 6.487 24.232 1.00 37.72 N ATOM 351 HA ASN A 26 30.967 5.979 26.073 1.00 0.00 H ATOM 352 HB2 ASN A 26 33.650 5.048 27.133 1.00 0.00 H ATOM 353 HB3 ASN A 26 32.858 4.482 25.644 1.00 0.00 H ATOM 354 HD22 ASN A 26 32.866 5.729 23.785 1.00 0.00 H ATOM 355 HD21 ASN A 26 33.816 7.253 23.651 1.00 0.00 H ATOM 356 H ASN A 26 32.132 6.635 28.782 1.00 0.00 H ATOM 357 N LYS A 27 29.981 3.918 27.112 1.00 34.64 N ATOM 358 CA LYS A 27 29.329 2.787 27.764 1.00 38.05 C ATOM 359 C LYS A 27 30.245 1.569 27.794 1.00 39.00 C ATOM 360 O LYS A 27 30.727 1.126 26.754 1.00 38.61 O ATOM 361 CB LYS A 27 28.032 2.442 27.026 1.00 40.32 C ATOM 362 CG LYS A 27 27.064 3.609 26.921 1.00 41.22 C ATOM 363 CD LYS A 27 25.874 3.277 26.041 1.00 43.57 C ATOM 364 CE LYS A 27 24.941 4.471 25.928 1.00 43.55 C ATOM 365 NZ LYS A 27 23.815 4.228 24.984 1.00 46.75 N ATOM 366 HA LYS A 27 29.102 3.069 28.792 1.00 0.00 H ATOM 367 HB2 LYS A 27 28.285 2.112 26.018 1.00 0.00 H ATOM 368 HB3 LYS A 27 27.537 1.630 27.559 1.00 0.00 H ATOM 369 HG2 LYS A 27 26.706 3.861 27.919 1.00 0.00 H ATOM 370 HG3 LYS A 27 27.588 4.466 26.497 1.00 0.00 H ATOM 371 HD2 LYS A 27 26.229 3.004 25.047 1.00 0.00 H ATOM 372 HD3 LYS A 27 25.331 2.438 26.475 1.00 0.00 H ATOM 373 HE2 LYS A 27 25.513 5.330 25.577 1.00 0.00 H ATOM 374 HE3 LYS A 27 24.530 4.688 26.914 1.00 0.00 H ATOM 375 HZ1 LYS A 27 24.195 4.027 24.037 1.00 0.00 H ATOM 376 HZ2 LYS A 27 23.257 3.415 25.314 1.00 0.00 H ATOM 377 HZ3 LYS A 27 23.209 5.073 24.944 1.00 0.00 H ATOM 378 H LYS A 27 29.621 4.258 26.197 1.00 0.00 H ATOM 379 N PRO A 28 30.503 1.014 28.991 1.00 40.77 N ATOM 380 CA PRO A 28 31.374 -0.165 29.090 1.00 41.46 C ATOM 381 C PRO A 28 30.842 -1.295 28.209 1.00 41.41 C ATOM 382 O PRO A 28 29.631 -1.425 28.022 1.00 41.34 O ATOM 383 CB PRO A 28 31.332 -0.504 30.580 1.00 42.12 C ATOM 384 CG PRO A 28 29.973 -0.008 31.004 1.00 43.88 C ATOM 385 CD PRO A 28 29.887 1.323 30.293 1.00 41.35 C ATOM 386 HA PRO A 28 32.393 0.002 28.742 1.00 0.00 H ATOM 387 HD3 PRO A 28 28.852 1.644 30.176 1.00 0.00 H ATOM 388 HD2 PRO A 28 30.447 2.093 30.824 1.00 0.00 H ATOM 389 HG3 PRO A 28 29.916 0.116 32.085 1.00 0.00 H ATOM 390 HG2 PRO A 28 29.184 -0.684 30.675 1.00 0.00 H ATOM 391 HB2 PRO A 28 31.425 -1.578 30.740 1.00 0.00 H ATOM 392 HB3 PRO A 28 32.124 0.013 31.122 1.00 0.00 H ATOM 393 N THR A 29 31.743 -2.105 27.667 1.00 41.02 N ATOM 394 CA THR A 29 31.339 -3.199 26.791 1.00 42.00 C ATOM 395 C THR A 29 31.029 -4.505 27.525 1.00 40.17 C ATOM 396 O THR A 29 30.170 -5.278 27.095 1.00 38.89 O ATOM 397 CB THR A 29 32.421 -3.479 25.726 1.00 43.18 C ATOM 398 OG1 THR A 29 33.636 -3.882 26.370 1.00 45.44 O ATOM 399 CG2 THR A 29 32.684 -2.229 24.898 1.00 44.24 C ATOM 400 HA THR A 29 30.414 -2.859 26.325 1.00 0.00 H ATOM 401 HB THR A 29 32.068 -4.274 25.069 1.00 0.00 H ATOM 402 HG1 THR A 29 34.328 -4.061 25.685 1.00 0.00 H ATOM 403 HG23 THR A 29 31.762 -1.920 24.407 1.00 0.00 H ATOM 404 HG21 THR A 29 33.035 -1.430 25.551 1.00 0.00 H ATOM 405 HG22 THR A 29 33.443 -2.446 24.146 1.00 0.00 H ATOM 406 H THR A 29 32.752 -1.957 27.870 1.00 0.00 H ATOM 407 N GLY A 30 31.724 -4.747 28.631 1.00 38.89 N ATOM 408 CA GLY A 30 31.502 -5.971 29.384 1.00 37.18 C ATOM 409 C GLY A 30 32.040 -7.188 28.649 1.00 35.73 C ATOM 410 O GLY A 30 32.323 -7.125 27.452 1.00 35.86 O ATOM 411 HA3 GLY A 30 30.431 -6.099 29.543 1.00 0.00 H ATOM 412 HA2 GLY A 30 32.004 -5.889 30.348 1.00 0.00 H ATOM 413 H GLY A 30 32.430 -4.058 28.960 1.00 0.00 H ATOM 414 N TYR A 31 32.182 -8.301 29.359 1.00 31.62 N ATOM 415 CA TYR A 31 32.697 -9.520 28.747 1.00 30.08 C ATOM 416 C TYR A 31 31.655 -10.226 27.891 1.00 31.39 C ATOM 417 O TYR A 31 30.453 -10.080 28.108 1.00 29.43 O ATOM 418 CB TYR A 31 33.196 -10.490 29.820 1.00 26.76 C ATOM 419 CG TYR A 31 34.354 -9.972 30.634 1.00 26.37 C ATOM 420 CD1 TYR A 31 34.152 -9.403 31.884 1.00 26.05 C ATOM 421 CD2 TYR A 31 35.656 -10.043 30.148 1.00 27.14 C ATOM 422 CE1 TYR A 31 35.218 -8.913 32.632 1.00 28.48 C ATOM 423 CE2 TYR A 31 36.727 -9.561 30.886 1.00 29.24 C ATOM 424 CZ TYR A 31 36.501 -8.996 32.125 1.00 28.34 C ATOM 425 OH TYR A 31 37.563 -8.513 32.849 1.00 32.75 O ATOM 426 HA TYR A 31 33.521 -9.217 28.100 1.00 0.00 H ATOM 427 HB3 TYR A 31 33.509 -11.411 29.329 1.00 0.00 H ATOM 428 HB2 TYR A 31 32.370 -10.704 30.498 1.00 0.00 H ATOM 429 HD2 TYR A 31 35.838 -10.486 29.169 1.00 0.00 H ATOM 430 HE2 TYR A 31 37.740 -9.628 30.490 1.00 0.00 H ATOM 431 HE1 TYR A 31 35.042 -8.467 33.611 1.00 0.00 H ATOM 432 HD1 TYR A 31 33.141 -9.339 32.286 1.00 0.00 H ATOM 433 HH TYR A 31 37.235 -8.144 33.707 1.00 0.00 H ATOM 434 H TYR A 31 31.922 -8.303 30.366 1.00 0.00 H ATOM 435 N GLY A 32 32.133 -10.991 26.914 1.00 33.05 N ATOM 436 CA GLY A 32 31.244 -11.739 26.045 1.00 37.43 C ATOM 437 C GLY A 32 30.232 -10.918 25.272 1.00 40.27 C ATOM 438 O GLY A 32 29.151 -11.408 24.950 1.00 40.33 O ATOM 439 HA3 GLY A 32 30.696 -12.452 26.661 1.00 0.00 H ATOM 440 HA2 GLY A 32 31.857 -12.279 25.324 1.00 0.00 H ATOM 441 H GLY A 32 33.161 -11.054 26.770 1.00 0.00 H ATOM 442 N SER A 33 30.576 -9.673 24.965 1.00 43.22 N ATOM 443 CA SER A 33 29.670 -8.811 24.221 1.00 46.19 C ATOM 444 C SER A 33 29.694 -9.185 22.743 1.00 48.28 C ATOM 445 O SER A 33 30.669 -9.762 22.252 1.00 48.24 O ATOM 446 CB SER A 33 30.070 -7.345 24.391 1.00 46.55 C ATOM 447 OG SER A 33 29.165 -6.496 23.709 1.00 49.41 O ATOM 448 HA SER A 33 28.661 -8.947 24.610 1.00 0.00 H ATOM 449 HB2 SER A 33 31.072 -7.198 23.987 1.00 0.00 H ATOM 450 HB3 SER A 33 30.066 -7.094 25.452 1.00 0.00 H ATOM 451 HG SER A 33 29.442 -5.554 23.832 1.00 0.00 H ATOM 452 H SER A 33 31.505 -9.309 25.260 1.00 0.00 H ATOM 453 N SER A 34 28.612 -8.861 22.041 1.00 50.05 N ATOM 454 CA SER A 34 28.500 -9.155 20.619 1.00 51.50 C ATOM 455 C SER A 34 28.018 -7.915 19.876 1.00 52.40 C ATOM 456 O SER A 34 26.906 -7.439 20.107 1.00 52.95 O ATOM 457 CB SER A 34 27.515 -10.304 20.388 1.00 52.60 C ATOM 458 OG SER A 34 27.928 -11.485 21.055 1.00 53.91 O ATOM 459 HA SER A 34 29.480 -9.449 20.244 1.00 0.00 H ATOM 460 HB2 SER A 34 27.450 -10.505 19.319 1.00 0.00 H ATOM 461 HB3 SER A 34 26.534 -10.010 20.762 1.00 0.00 H ATOM 462 HG SER A 34 27.271 -12.206 20.885 1.00 0.00 H ATOM 463 H SER A 34 27.823 -8.384 22.521 1.00 0.00 H TER 464 SER A 34 ATOM 465 N THR A 41 31.264 4.809 19.593 1.00 44.38 N ATOM 466 CA THR A 41 31.362 6.210 19.986 1.00 43.56 C ATOM 467 C THR A 41 31.023 6.425 21.459 1.00 40.79 C ATOM 468 O THR A 41 31.002 5.482 22.255 1.00 41.76 O ATOM 469 CB THR A 41 30.419 7.087 19.148 1.00 45.36 C ATOM 470 OG1 THR A 41 29.089 6.557 19.214 1.00 47.98 O ATOM 471 CG2 THR A 41 30.881 7.135 17.702 1.00 46.93 C ATOM 472 HA THR A 41 32.400 6.496 19.814 1.00 0.00 H ATOM 473 HB THR A 41 30.430 8.100 19.550 1.00 0.00 H ATOM 474 HG1 THR A 41 28.482 7.123 18.674 1.00 0.00 H ATOM 475 HG23 THR A 41 31.893 7.539 17.658 1.00 0.00 H ATOM 476 HG21 THR A 41 30.872 6.128 17.285 1.00 0.00 H ATOM 477 HG22 THR A 41 30.209 7.773 17.128 1.00 0.00 H ATOM 478 HN3 THR A 41 30.293 4.473 19.753 1.00 0.00 H ATOM 479 HN2 THR A 41 31.926 4.244 20.162 1.00 0.00 H ATOM 480 HN1 THR A 41 31.503 4.715 18.585 1.00 0.00 H ATOM 481 N GLY A 42 30.760 7.677 21.813 1.00 36.62 N ATOM 482 CA GLY A 42 30.427 8.001 23.186 1.00 31.50 C ATOM 483 C GLY A 42 29.500 9.194 23.275 1.00 26.80 C ATOM 484 O GLY A 42 28.964 9.650 22.269 1.00 24.51 O ATOM 485 HA3 GLY A 42 31.345 8.227 23.728 1.00 0.00 H ATOM 486 HA2 GLY A 42 29.939 7.140 23.643 1.00 0.00 H ATOM 487 H GLY A 42 30.793 8.432 21.099 1.00 0.00 H ATOM 488 N ILE A 43 29.322 9.714 24.482 1.00 24.75 N ATOM 489 CA ILE A 43 28.430 10.848 24.688 1.00 23.99 C ATOM 490 C ILE A 43 28.864 12.125 23.981 1.00 23.68 C ATOM 491 O ILE A 43 28.018 12.926 23.581 1.00 22.52 O ATOM 492 CB ILE A 43 28.240 11.142 26.196 1.00 23.42 C ATOM 493 CG1 ILE A 43 27.074 12.115 26.388 1.00 25.45 C ATOM 494 CG2 ILE A 43 29.521 11.731 26.784 1.00 25.31 C ATOM 495 CD1 ILE A 43 26.673 12.310 27.833 1.00 27.38 C ATOM 496 HA ILE A 43 27.485 10.542 24.238 1.00 0.00 H ATOM 497 HB ILE A 43 28.016 10.210 26.716 1.00 0.00 H ATOM 498 HG12 ILE A 43 27.362 13.083 25.978 1.00 0.00 H ATOM 499 HG13 ILE A 43 26.213 11.732 25.841 1.00 0.00 H ATOM 500 HD11 ILE A 43 26.369 11.353 28.257 1.00 0.00 H ATOM 501 HD12 ILE A 43 27.520 12.705 28.394 1.00 0.00 H ATOM 502 HD13 ILE A 43 25.841 13.013 27.886 1.00 0.00 H ATOM 503 HG21 ILE A 43 30.337 11.020 26.659 1.00 0.00 H ATOM 504 HG22 ILE A 43 29.763 12.659 26.267 1.00 0.00 H ATOM 505 HG23 ILE A 43 29.373 11.933 27.845 1.00 0.00 H ATOM 506 H ILE A 43 29.827 9.306 25.294 1.00 0.00 H ATOM 507 N VAL A 44 30.168 12.331 23.815 1.00 22.27 N ATOM 508 CA VAL A 44 30.615 13.537 23.137 1.00 22.92 C ATOM 509 C VAL A 44 30.137 13.501 21.684 1.00 22.53 C ATOM 510 O VAL A 44 29.667 14.503 21.160 1.00 21.49 O ATOM 511 CB VAL A 44 32.152 13.686 23.173 1.00 25.71 C ATOM 512 CG1 VAL A 44 32.571 14.922 22.382 1.00 26.68 C ATOM 513 CG2 VAL A 44 32.630 13.801 24.620 1.00 27.10 C ATOM 514 HA VAL A 44 30.190 14.395 23.658 1.00 0.00 H ATOM 515 HB VAL A 44 32.607 12.805 22.720 1.00 0.00 H ATOM 516 HG11 VAL A 44 32.243 14.818 21.348 1.00 0.00 H ATOM 517 HG12 VAL A 44 32.112 15.807 22.823 1.00 0.00 H ATOM 518 HG13 VAL A 44 33.656 15.020 22.412 1.00 0.00 H ATOM 519 HG21 VAL A 44 32.173 14.675 25.084 1.00 0.00 H ATOM 520 HG22 VAL A 44 32.342 12.904 25.169 1.00 0.00 H ATOM 521 HG23 VAL A 44 33.715 13.906 24.636 1.00 0.00 H ATOM 522 H VAL A 44 30.859 11.638 24.166 1.00 0.00 H ATOM 523 N ASP A 45 30.243 12.332 21.058 1.00 23.57 N ATOM 524 CA ASP A 45 29.822 12.141 19.670 1.00 25.68 C ATOM 525 C ASP A 45 28.315 12.341 19.528 1.00 25.35 C ATOM 526 O ASP A 45 27.834 12.990 18.599 1.00 25.08 O ATOM 527 CB ASP A 45 30.153 10.717 19.211 1.00 28.33 C ATOM 528 CG ASP A 45 31.617 10.359 19.399 1.00 33.31 C ATOM 529 OD1 ASP A 45 32.421 10.655 18.493 1.00 33.73 O ATOM 530 OD2 ASP A 45 31.964 9.787 20.458 1.00 33.81 O ATOM 531 HA ASP A 45 30.352 12.873 19.060 1.00 0.00 H ATOM 532 HB2 ASP A 45 29.547 10.017 19.786 1.00 0.00 H ATOM 533 HB3 ASP A 45 29.906 10.626 18.153 1.00 0.00 H ATOM 534 H ASP A 45 30.641 11.522 21.576 1.00 0.00 H ATOM 535 N GLU A 46 27.577 11.775 20.472 1.00 25.17 N ATOM 536 CA GLU A 46 26.124 11.817 20.450 1.00 25.18 C ATOM 537 C GLU A 46 25.461 13.097 20.946 1.00 25.24 C ATOM 538 O GLU A 46 24.452 13.525 20.380 1.00 22.77 O ATOM 539 CB GLU A 46 25.607 10.607 21.238 1.00 27.92 C ATOM 540 CG GLU A 46 24.101 10.473 21.364 1.00 32.79 C ATOM 541 CD GLU A 46 23.689 9.078 21.804 1.00 33.57 C ATOM 542 OE1 GLU A 46 24.427 8.467 22.604 1.00 34.85 O ATOM 543 OE2 GLU A 46 22.626 8.591 21.360 1.00 38.92 O ATOM 544 HA GLU A 46 25.844 11.790 19.397 1.00 0.00 H ATOM 545 HB2 GLU A 46 25.980 9.708 20.747 1.00 0.00 H ATOM 546 HB3 GLU A 46 26.020 10.667 22.245 1.00 0.00 H ATOM 547 HG2 GLU A 46 23.743 11.194 22.099 1.00 0.00 H ATOM 548 HG3 GLU A 46 23.646 10.686 20.397 1.00 0.00 H ATOM 549 H GLU A 46 28.054 11.284 21.255 1.00 0.00 H ATOM 550 N CYS A 47 26.043 13.720 21.972 1.00 23.11 N ATOM 551 CA CYS A 47 25.460 14.911 22.581 1.00 22.91 C ATOM 552 C CYS A 47 26.165 16.251 22.458 1.00 22.44 C ATOM 553 O CYS A 47 25.554 17.285 22.732 1.00 22.24 O ATOM 554 CB CYS A 47 25.219 14.640 24.065 1.00 24.62 C ATOM 555 SG CYS A 47 24.166 13.200 24.416 1.00 27.16 S ATOM 556 HA CYS A 47 24.562 15.053 21.979 1.00 0.00 H ATOM 557 HB2 CYS A 47 24.745 15.521 24.498 1.00 0.00 H ATOM 558 HB3 CYS A 47 26.186 14.478 24.542 1.00 0.00 H ATOM 559 H CYS A 47 26.938 13.346 22.348 1.00 0.00 H ATOM 560 N CYS A 48 27.441 16.259 22.084 1.00 20.75 N ATOM 561 CA CYS A 48 28.152 17.528 21.940 1.00 21.81 C ATOM 562 C CYS A 48 28.352 17.853 20.460 1.00 23.14 C ATOM 563 O CYS A 48 28.018 18.941 20.012 1.00 24.19 O ATOM 564 CB CYS A 48 29.495 17.488 22.682 1.00 24.97 C ATOM 565 SG CYS A 48 30.650 18.822 22.208 1.00 26.62 S ATOM 566 HA CYS A 48 27.550 18.318 22.388 1.00 0.00 H ATOM 567 HB2 CYS A 48 29.973 16.531 22.474 1.00 0.00 H ATOM 568 HB3 CYS A 48 29.298 17.569 23.751 1.00 0.00 H ATOM 569 H CYS A 48 27.933 15.363 21.894 1.00 0.00 H ATOM 570 N PHE A 49 28.879 16.895 19.706 1.00 24.09 N ATOM 571 CA PHE A 49 29.087 17.072 18.271 1.00 28.23 C ATOM 572 C PHE A 49 27.729 17.066 17.585 1.00 28.34 C ATOM 573 O PHE A 49 27.534 17.698 16.546 1.00 29.11 O ATOM 574 CB PHE A 49 29.953 15.934 17.732 1.00 26.33 C ATOM 575 CG PHE A 49 31.351 15.924 18.290 1.00 29.79 C ATOM 576 CD1 PHE A 49 32.075 14.739 18.361 1.00 29.68 C ATOM 577 CD2 PHE A 49 31.945 17.101 18.740 1.00 29.60 C ATOM 578 CE1 PHE A 49 33.371 14.721 18.873 1.00 31.69 C ATOM 579 CE2 PHE A 49 33.245 17.095 19.255 1.00 31.17 C ATOM 580 CZ PHE A 49 33.957 15.903 19.322 1.00 29.97 C ATOM 581 HA PHE A 49 29.595 18.016 18.077 1.00 0.00 H ATOM 582 HB2 PHE A 49 29.474 14.988 17.984 1.00 0.00 H ATOM 583 HB3 PHE A 49 30.015 16.031 16.648 1.00 0.00 H ATOM 584 HD2 PHE A 49 31.390 18.038 18.690 1.00 0.00 H ATOM 585 HE2 PHE A 49 33.699 18.023 19.603 1.00 0.00 H ATOM 586 HZ PHE A 49 34.970 15.893 19.724 1.00 0.00 H ATOM 587 HE1 PHE A 49 33.925 13.784 18.922 1.00 0.00 H ATOM 588 HD1 PHE A 49 31.622 13.811 18.011 1.00 0.00 H ATOM 589 H PHE A 49 29.151 15.994 20.149 1.00 0.00 H ATOM 590 N ARG A 50 26.791 16.340 18.183 1.00 30.00 N ATOM 591 CA ARG A 50 25.433 16.246 17.669 1.00 30.05 C ATOM 592 C ARG A 50 24.488 16.564 18.821 1.00 29.81 C ATOM 593 O ARG A 50 24.905 16.609 19.980 1.00 27.39 O ATOM 594 CB ARG A 50 25.160 14.835 17.152 1.00 30.92 C ATOM 595 CG ARG A 50 26.121 14.387 16.053 1.00 35.02 C ATOM 596 CD ARG A 50 25.747 13.021 15.519 1.00 37.07 C ATOM 597 NE ARG A 50 26.569 12.638 14.374 1.00 39.96 N ATOM 598 CZ ARG A 50 27.849 12.283 14.448 1.00 41.40 C ATOM 599 NH1 ARG A 50 28.471 12.253 15.622 1.00 39.89 N ATOM 600 NH2 ARG A 50 28.508 11.962 13.341 1.00 39.75 N ATOM 601 HA ARG A 50 25.289 16.943 16.843 1.00 0.00 H ATOM 602 HB2 ARG A 50 25.244 14.140 17.987 1.00 0.00 H ATOM 603 HB3 ARG A 50 24.145 14.804 16.756 1.00 0.00 H ATOM 604 HG2 ARG A 50 26.089 15.109 15.237 1.00 0.00 H ATOM 605 HG3 ARG A 50 27.131 14.345 16.460 1.00 0.00 H ATOM 606 HD2 ARG A 50 24.701 13.037 15.212 1.00 0.00 H ATOM 607 HD3 ARG A 50 25.881 12.284 16.311 1.00 0.00 H ATOM 608 HE ARG A 50 26.122 12.643 13.435 1.00 0.00 H ATOM 609 HH12 ARG A 50 29.472 11.975 15.673 1.00 0.00 H ATOM 610 HH11 ARG A 50 27.957 12.508 16.489 1.00 0.00 H ATOM 611 HH22 ARG A 50 29.509 11.684 13.394 1.00 0.00 H ATOM 612 HH21 ARG A 50 28.023 11.989 12.421 1.00 0.00 H ATOM 613 H ARG A 50 27.036 15.820 19.050 1.00 0.00 H ATOM 614 N SER A 51 23.222 16.797 18.505 1.00 29.87 N ATOM 615 CA SER A 51 22.242 17.096 19.541 1.00 31.37 C ATOM 616 C SER A 51 21.575 15.797 19.960 1.00 29.64 C ATOM 617 O SER A 51 21.213 14.976 19.120 1.00 30.88 O ATOM 618 CB SER A 51 21.192 18.080 19.015 1.00 32.94 C ATOM 619 OG SER A 51 20.610 17.597 17.816 1.00 37.55 O ATOM 620 HA SER A 51 22.738 17.555 20.396 1.00 0.00 H ATOM 621 HB2 SER A 51 21.668 19.041 18.821 1.00 0.00 H ATOM 622 HB3 SER A 51 20.412 18.207 19.766 1.00 0.00 H ATOM 623 HG SER A 51 21.315 17.484 17.131 1.00 0.00 H ATOM 624 H SER A 51 22.925 16.766 17.509 1.00 0.00 H ATOM 625 N CYS A 52 21.422 15.596 21.263 1.00 28.52 N ATOM 626 CA CYS A 52 20.791 14.381 21.744 1.00 26.31 C ATOM 627 C CYS A 52 19.670 14.760 22.708 1.00 26.88 C ATOM 628 O CYS A 52 19.685 15.844 23.280 1.00 26.07 O ATOM 629 CB CYS A 52 21.832 13.473 22.426 1.00 26.56 C ATOM 630 SG CYS A 52 22.278 13.907 24.144 1.00 28.95 S ATOM 631 HA CYS A 52 20.368 13.823 20.909 1.00 0.00 H ATOM 632 HB2 CYS A 52 22.743 13.503 21.828 1.00 0.00 H ATOM 633 HB3 CYS A 52 21.436 12.458 22.431 1.00 0.00 H ATOM 634 H CYS A 52 21.755 16.311 21.941 1.00 0.00 H ATOM 635 N ASP A 53 18.683 13.886 22.869 1.00 28.02 N ATOM 636 CA ASP A 53 17.586 14.188 23.778 1.00 27.91 C ATOM 637 C ASP A 53 17.844 13.595 25.159 1.00 25.38 C ATOM 638 O ASP A 53 18.759 12.787 25.337 1.00 24.78 O ATOM 639 CB ASP A 53 16.254 13.679 23.215 1.00 33.12 C ATOM 640 CG ASP A 53 16.282 12.206 22.878 1.00 37.43 C ATOM 641 OD1 ASP A 53 16.730 11.405 23.722 1.00 40.45 O ATOM 642 OD2 ASP A 53 15.841 11.845 21.765 1.00 43.58 O ATOM 643 HA ASP A 53 17.523 15.272 23.878 1.00 0.00 H ATOM 644 HB2 ASP A 53 15.474 13.852 23.957 1.00 0.00 H ATOM 645 HB3 ASP A 53 16.022 14.239 22.309 1.00 0.00 H ATOM 646 H ASP A 53 18.694 12.987 22.346 1.00 0.00 H ATOM 647 N LEU A 54 17.031 13.999 26.130 1.00 23.51 N ATOM 648 CA LEU A 54 17.172 13.548 27.516 1.00 21.61 C ATOM 649 C LEU A 54 17.299 12.032 27.684 1.00 24.44 C ATOM 650 O LEU A 54 18.137 11.554 28.450 1.00 23.83 O ATOM 651 CB LEU A 54 15.990 14.063 28.351 1.00 24.06 C ATOM 652 CG LEU A 54 16.009 13.745 29.851 1.00 23.03 C ATOM 653 CD1 LEU A 54 17.280 14.311 30.477 1.00 23.05 C ATOM 654 CD2 LEU A 54 14.766 14.337 30.519 1.00 21.62 C ATOM 655 HA LEU A 54 18.115 13.966 27.869 1.00 0.00 H ATOM 656 HB2 LEU A 54 15.959 15.147 28.244 1.00 0.00 H ATOM 657 HB3 LEU A 54 15.080 13.632 27.934 1.00 0.00 H ATOM 658 HG LEU A 54 16.000 12.665 29.998 1.00 0.00 H ATOM 659 HD21 LEU A 54 14.759 15.418 30.378 1.00 0.00 H ATOM 660 HD22 LEU A 54 13.872 13.905 30.069 1.00 0.00 H ATOM 661 HD23 LEU A 54 14.784 14.108 31.585 1.00 0.00 H ATOM 662 HD11 LEU A 54 18.150 13.861 29.999 1.00 0.00 H ATOM 663 HD12 LEU A 54 17.304 15.391 30.334 1.00 0.00 H ATOM 664 HD13 LEU A 54 17.291 14.084 31.543 1.00 0.00 H ATOM 665 H LEU A 54 16.264 14.662 25.896 1.00 0.00 H ATOM 666 N ARG A 55 16.453 11.282 26.983 1.00 25.32 N ATOM 667 CA ARG A 55 16.472 9.824 27.056 1.00 29.27 C ATOM 668 C ARG A 55 17.863 9.270 26.741 1.00 29.08 C ATOM 669 O ARG A 55 18.388 8.439 27.481 1.00 30.02 O ATOM 670 CB ARG A 55 15.428 9.252 26.084 1.00 32.36 C ATOM 671 CG ARG A 55 15.889 8.069 25.255 1.00 38.90 C ATOM 672 CD ARG A 55 14.976 7.878 24.047 1.00 45.72 C ATOM 673 NE ARG A 55 15.564 6.999 23.039 1.00 47.82 N ATOM 674 CZ ARG A 55 15.107 6.877 21.797 1.00 50.67 C ATOM 675 NH1 ARG A 55 14.051 7.577 21.403 1.00 51.86 N ATOM 676 NH2 ARG A 55 15.713 6.063 20.942 1.00 52.69 N ATOM 677 HA ARG A 55 16.224 9.521 28.073 1.00 0.00 H ATOM 678 HB2 ARG A 55 14.562 8.937 26.667 1.00 0.00 H ATOM 679 HB3 ARG A 55 15.134 10.048 25.400 1.00 0.00 H ATOM 680 HG2 ARG A 55 16.908 8.246 24.911 1.00 0.00 H ATOM 681 HG3 ARG A 55 15.866 7.169 25.869 1.00 0.00 H ATOM 682 HD2 ARG A 55 14.785 8.851 23.595 1.00 0.00 H ATOM 683 HD3 ARG A 55 14.035 7.444 24.384 1.00 0.00 H ATOM 684 HE ARG A 55 16.393 6.433 23.311 1.00 0.00 H ATOM 685 HH12 ARG A 55 13.696 7.479 20.430 1.00 0.00 H ATOM 686 HH11 ARG A 55 13.578 8.223 22.067 1.00 0.00 H ATOM 687 HH22 ARG A 55 15.354 5.969 19.970 1.00 0.00 H ATOM 688 HH21 ARG A 55 16.547 5.519 21.243 1.00 0.00 H ATOM 689 H ARG A 55 15.758 11.748 26.365 1.00 0.00 H ATOM 690 N ARG A 56 18.459 9.741 25.650 1.00 28.87 N ATOM 691 CA ARG A 56 19.784 9.280 25.247 1.00 28.25 C ATOM 692 C ARG A 56 20.836 9.710 26.261 1.00 26.10 C ATOM 693 O ARG A 56 21.733 8.943 26.605 1.00 24.59 O ATOM 694 CB ARG A 56 20.131 9.824 23.864 1.00 32.15 C ATOM 695 CG ARG A 56 19.160 9.383 22.777 1.00 36.63 C ATOM 696 CD ARG A 56 19.130 7.868 22.640 1.00 41.12 C ATOM 697 NE ARG A 56 20.433 7.335 22.246 1.00 45.83 N ATOM 698 CZ ARG A 56 20.682 6.048 22.019 1.00 47.14 C ATOM 699 NH1 ARG A 56 19.715 5.143 22.145 1.00 48.10 N ATOM 700 NH2 ARG A 56 21.903 5.663 21.668 1.00 47.14 N ATOM 701 HA ARG A 56 19.772 8.191 25.206 1.00 0.00 H ATOM 702 HB2 ARG A 56 20.126 10.913 23.910 1.00 0.00 H ATOM 703 HB3 ARG A 56 21.129 9.477 23.597 1.00 0.00 H ATOM 704 HG2 ARG A 56 18.160 9.736 23.030 1.00 0.00 H ATOM 705 HG3 ARG A 56 19.469 9.819 21.827 1.00 0.00 H ATOM 706 HD2 ARG A 56 18.393 7.596 21.884 1.00 0.00 H ATOM 707 HD3 ARG A 56 18.844 7.432 23.597 1.00 0.00 H ATOM 708 HE ARG A 56 21.219 8.008 22.136 1.00 0.00 H ATOM 709 HH12 ARG A 56 19.916 4.138 21.966 1.00 0.00 H ATOM 710 HH11 ARG A 56 18.758 5.440 22.422 1.00 0.00 H ATOM 711 HH22 ARG A 56 22.100 4.657 21.490 1.00 0.00 H ATOM 712 HH21 ARG A 56 22.662 6.367 21.571 1.00 0.00 H ATOM 713 H ARG A 56 17.970 10.454 25.071 1.00 0.00 H ATOM 714 N LEU A 57 20.722 10.937 26.749 1.00 23.77 N ATOM 715 CA LEU A 57 21.666 11.438 27.737 1.00 24.25 C ATOM 716 C LEU A 57 21.681 10.571 28.999 1.00 23.07 C ATOM 717 O LEU A 57 22.743 10.211 29.503 1.00 22.21 O ATOM 718 CB LEU A 57 21.313 12.878 28.114 1.00 23.53 C ATOM 719 CG LEU A 57 22.196 13.524 29.182 1.00 26.78 C ATOM 720 CD1 LEU A 57 23.607 13.680 28.642 1.00 27.05 C ATOM 721 CD2 LEU A 57 21.616 14.880 29.573 1.00 29.06 C ATOM 722 HA LEU A 57 22.659 11.403 27.289 1.00 0.00 H ATOM 723 HB2 LEU A 57 21.381 13.486 27.212 1.00 0.00 H ATOM 724 HB3 LEU A 57 20.286 12.886 28.480 1.00 0.00 H ATOM 725 HG LEU A 57 22.228 12.891 30.069 1.00 0.00 H ATOM 726 HD21 LEU A 57 21.578 15.524 28.695 1.00 0.00 H ATOM 727 HD22 LEU A 57 20.609 14.743 29.968 1.00 0.00 H ATOM 728 HD23 LEU A 57 22.247 15.338 30.334 1.00 0.00 H ATOM 729 HD11 LEU A 57 24.006 12.699 28.383 1.00 0.00 H ATOM 730 HD12 LEU A 57 23.587 14.312 27.754 1.00 0.00 H ATOM 731 HD13 LEU A 57 24.237 14.141 29.403 1.00 0.00 H ATOM 732 H LEU A 57 19.948 11.550 26.422 1.00 0.00 H ATOM 733 N GLU A 58 20.502 10.221 29.505 1.00 22.38 N ATOM 734 CA GLU A 58 20.416 9.418 30.720 1.00 23.58 C ATOM 735 C GLU A 58 20.997 8.011 30.577 1.00 24.58 C ATOM 736 O GLU A 58 21.277 7.344 31.571 1.00 25.79 O ATOM 737 CB GLU A 58 18.962 9.339 31.208 1.00 28.54 C ATOM 738 CG GLU A 58 18.846 8.882 32.659 1.00 33.93 C ATOM 739 CD GLU A 58 17.432 8.981 33.202 1.00 39.15 C ATOM 740 OE1 GLU A 58 17.255 8.853 34.436 1.00 40.04 O ATOM 741 OE2 GLU A 58 16.501 9.186 32.393 1.00 38.91 O ATOM 742 HA GLU A 58 21.033 9.930 31.459 1.00 0.00 H ATOM 743 HB2 GLU A 58 18.510 10.327 31.117 1.00 0.00 H ATOM 744 HB3 GLU A 58 18.421 8.634 30.577 1.00 0.00 H ATOM 745 HG2 GLU A 58 19.171 7.844 32.723 1.00 0.00 H ATOM 746 HG3 GLU A 58 19.498 9.504 33.272 1.00 0.00 H ATOM 747 H GLU A 58 19.629 10.524 29.028 1.00 0.00 H ATOM 748 N MET A 59 21.186 7.555 29.344 1.00 23.90 N ATOM 749 CA MET A 59 21.754 6.234 29.129 1.00 25.40 C ATOM 750 C MET A 59 23.227 6.189 29.535 1.00 23.91 C ATOM 751 O MET A 59 23.813 5.113 29.646 1.00 25.17 O ATOM 752 CB MET A 59 21.588 5.821 27.666 1.00 28.73 C ATOM 753 CG MET A 59 20.160 5.402 27.336 1.00 32.85 C ATOM 754 SD MET A 59 19.907 5.058 25.600 1.00 38.83 S ATOM 755 CE MET A 59 18.099 5.131 25.506 1.00 39.18 C ATOM 756 HA MET A 59 21.215 5.527 29.760 1.00 0.00 H ATOM 757 HB2 MET A 59 21.861 6.664 27.031 1.00 0.00 H ATOM 758 HB3 MET A 59 22.255 4.983 27.461 1.00 0.00 H ATOM 759 HG2 MET A 59 19.486 6.206 27.631 1.00 0.00 H ATOM 760 HG3 MET A 59 19.923 4.503 27.905 1.00 0.00 H ATOM 761 HE1 MET A 59 17.671 4.379 26.169 1.00 0.00 H ATOM 762 HE2 MET A 59 17.760 6.121 25.811 1.00 0.00 H ATOM 763 HE3 MET A 59 17.782 4.937 24.482 1.00 0.00 H ATOM 764 H MET A 59 20.926 8.146 28.528 1.00 0.00 H ATOM 765 N TYR A 60 23.826 7.355 29.768 1.00 22.36 N ATOM 766 CA TYR A 60 25.226 7.391 30.179 1.00 23.11 C ATOM 767 C TYR A 60 25.409 7.413 31.696 1.00 23.97 C ATOM 768 O TYR A 60 26.525 7.531 32.199 1.00 23.36 O ATOM 769 CB TYR A 60 25.947 8.570 29.527 1.00 21.55 C ATOM 770 CG TYR A 60 26.129 8.384 28.038 1.00 23.06 C ATOM 771 CD1 TYR A 60 25.159 8.817 27.134 1.00 24.60 C ATOM 772 CD2 TYR A 60 27.248 7.726 27.536 1.00 24.45 C ATOM 773 CE1 TYR A 60 25.302 8.594 25.759 1.00 27.25 C ATOM 774 CE2 TYR A 60 27.399 7.496 26.171 1.00 25.83 C ATOM 775 CZ TYR A 60 26.425 7.930 25.290 1.00 27.77 C ATOM 776 OH TYR A 60 26.571 7.688 23.943 1.00 29.49 O ATOM 777 HA TYR A 60 25.675 6.461 29.831 1.00 0.00 H ATOM 778 HB3 TYR A 60 26.928 8.679 29.989 1.00 0.00 H ATOM 779 HB2 TYR A 60 25.364 9.475 29.698 1.00 0.00 H ATOM 780 HD2 TYR A 60 28.021 7.384 28.224 1.00 0.00 H ATOM 781 HE2 TYR A 60 28.281 6.976 25.798 1.00 0.00 H ATOM 782 HE1 TYR A 60 24.537 8.939 25.064 1.00 0.00 H ATOM 783 HD1 TYR A 60 24.275 9.337 27.504 1.00 0.00 H ATOM 784 HH TYR A 60 25.794 8.060 23.456 1.00 0.00 H ATOM 785 H TYR A 60 23.295 8.242 29.657 1.00 0.00 H ATOM 786 N CYS A 61 24.308 7.297 32.429 1.00 23.86 N ATOM 787 CA CYS A 61 24.391 7.255 33.883 1.00 24.88 C ATOM 788 C CYS A 61 24.783 5.845 34.311 1.00 27.62 C ATOM 789 O CYS A 61 24.285 4.867 33.760 1.00 28.37 O ATOM 790 CB CYS A 61 23.044 7.577 34.517 1.00 24.80 C ATOM 791 SG CYS A 61 22.412 9.251 34.251 1.00 27.71 S ATOM 792 HA CYS A 61 25.127 7.991 34.207 1.00 0.00 H ATOM 793 HB2 CYS A 61 23.138 7.424 35.592 1.00 0.00 H ATOM 794 HB3 CYS A 61 22.312 6.877 34.114 1.00 0.00 H ATOM 795 H CYS A 61 23.381 7.236 31.962 1.00 0.00 H ATOM 796 N ALA A 62 25.666 5.743 35.296 1.00 30.04 N ATOM 797 CA ALA A 62 26.092 4.445 35.800 1.00 34.38 C ATOM 798 C ALA A 62 24.925 3.816 36.562 1.00 38.69 C ATOM 799 O ALA A 62 23.958 4.498 36.904 1.00 37.54 O ATOM 800 CB ALA A 62 27.295 4.613 36.720 1.00 34.56 C ATOM 801 HA ALA A 62 26.384 3.799 34.972 1.00 0.00 H ATOM 802 HB1 ALA A 62 28.114 5.070 36.165 1.00 0.00 H ATOM 803 HB2 ALA A 62 27.022 5.253 37.559 1.00 0.00 H ATOM 804 HB3 ALA A 62 27.606 3.637 37.092 1.00 0.00 H ATOM 805 H ALA A 62 26.062 6.608 35.717 1.00 0.00 H ATOM 806 N PRO A 63 24.996 2.504 36.830 1.00 42.56 N ATOM 807 CA PRO A 63 23.912 1.834 37.557 1.00 46.12 C ATOM 808 C PRO A 63 23.867 2.163 39.053 1.00 49.22 C ATOM 809 O PRO A 63 24.842 2.663 39.624 1.00 48.94 O ATOM 810 CB PRO A 63 24.189 0.356 37.293 1.00 46.03 C ATOM 811 CG PRO A 63 25.691 0.314 37.226 1.00 45.18 C ATOM 812 CD PRO A 63 26.011 1.532 36.381 1.00 44.25 C ATOM 813 HA PRO A 63 22.929 2.161 37.217 1.00 0.00 H ATOM 814 HD3 PRO A 63 27.020 1.895 36.578 1.00 0.00 H ATOM 815 HD2 PRO A 63 25.906 1.314 35.318 1.00 0.00 H ATOM 816 HG3 PRO A 63 26.040 -0.601 36.748 1.00 0.00 H ATOM 817 HG2 PRO A 63 26.133 0.395 38.219 1.00 0.00 H ATOM 818 HB2 PRO A 63 23.813 -0.267 38.105 1.00 0.00 H ATOM 819 HB3 PRO A 63 23.743 0.033 36.352 1.00 0.00 H ATOM 820 N LEU A 64 22.726 1.881 39.678 1.00 52.00 N ATOM 821 CA LEU A 64 22.545 2.129 41.105 1.00 54.03 C ATOM 822 C LEU A 64 23.271 1.054 41.913 1.00 55.37 C ATOM 823 O LEU A 64 22.604 0.370 42.718 1.00 56.59 O ATOM 824 CB LEU A 64 21.056 2.117 41.472 1.00 54.86 C ATOM 825 CG LEU A 64 20.109 3.091 40.763 1.00 55.90 C ATOM 826 CD1 LEU A 64 19.928 2.679 39.310 1.00 56.40 C ATOM 827 CD2 LEU A 64 18.766 3.096 41.472 1.00 56.33 C ATOM 828 HA LEU A 64 22.959 3.110 41.338 1.00 0.00 H ATOM 829 HB2 LEU A 64 20.686 1.111 41.275 1.00 0.00 H ATOM 830 HB3 LEU A 64 20.988 2.325 42.540 1.00 0.00 H ATOM 831 HG LEU A 64 20.537 4.093 40.792 1.00 0.00 H ATOM 832 HD21 LEU A 64 18.341 2.093 41.449 1.00 0.00 H ATOM 833 HD22 LEU A 64 18.904 3.410 42.507 1.00 0.00 H ATOM 834 HD23 LEU A 64 18.093 3.789 40.967 1.00 0.00 H ATOM 835 HD11 LEU A 64 20.895 2.690 38.807 1.00 0.00 H ATOM 836 HD12 LEU A 64 19.506 1.675 39.268 1.00 0.00 H ATOM 837 HD13 LEU A 64 19.253 3.379 38.817 1.00 0.00 H ATOM 838 H LEU A 64 21.940 1.472 39.133 1.00 0.00 H TER 839 LEU A 64 HETATM 840 O HOH 1 19.233 24.775 26.258 1.00 26.52 O HETATM 841 O HOH 2 23.844 21.902 31.091 1.00 25.18 O HETATM 842 O HOH 3 21.586 23.586 27.578 1.00 27.61 O HETATM 843 O HOH 4 24.598 19.907 37.713 1.00 33.98 O HETATM 844 O HOH 5 30.826 19.432 40.704 1.00 25.98 O HETATM 845 O HOH 6 16.726 17.213 41.032 1.00 30.65 O HETATM 846 O HOH 7 32.484 10.355 24.615 1.00 28.25 O HETATM 847 O HOH 8 18.823 11.545 20.775 1.00 33.86 O HETATM 848 O HOH 9 27.375 23.380 25.609 1.00 25.50 O HETATM 849 O HOH 10 29.527 4.350 24.360 1.00 39.07 O HETATM 850 O HOH 11 24.421 23.879 32.911 1.00 33.11 O HETATM 851 O HOH 12 17.381 11.511 36.958 1.00 26.00 O HETATM 852 O HOH 13 22.491 16.933 15.358 1.00 38.40 O HETATM 853 O HOH 14 22.741 17.594 22.815 1.00 25.10 O HETATM 854 O HOH 15 22.842 12.388 18.573 1.00 34.15 O HETATM 855 O HOH 16 20.774 13.960 16.544 1.00 61.49 O HETATM 856 O HOH 17 33.690 3.285 34.850 1.00 63.42 O HETATM 857 O HOH 18 29.885 25.101 35.288 1.00 44.79 O HETATM 858 O HOH 19 26.148 12.070 38.967 1.00 42.71 O HETATM 859 O HOH 20 22.883 5.713 43.419 1.00 46.03 O HETATM 860 O HOH 21 20.909 10.476 19.896 1.00 37.89 O HETATM 861 O HOH 22 27.367 20.489 38.261 1.00 39.77 O HETATM 862 O HOH 23 21.507 4.554 32.572 1.00 43.65 O HETATM 863 O HOH 24 35.491 5.055 34.262 1.00 63.47 O HETATM 864 O HOH 25 28.231 14.158 40.122 1.00 45.08 O HETATM 865 O HOH 26 20.578 26.000 50.412 1.00 41.51 O HETATM 866 O HOH 27 22.836 23.748 25.121 1.00 39.96 O HETATM 867 O HOH 28 16.824 11.652 40.012 1.00 43.26 O HETATM 868 O HOH 29 13.819 12.315 25.864 1.00 37.09 O HETATM 869 O HOH 30 18.243 13.480 41.293 1.00 52.12 O HETATM 870 O HOH 31 16.156 9.550 20.797 1.00 72.09 O HETATM 871 O HOH 32 33.802 2.892 20.519 1.00 49.11 O HETATM 872 O HOH 33 20.636 9.378 42.445 1.00 44.01 O HETATM 873 O HOH 34 17.054 6.358 28.995 1.00 32.29 O HETATM 874 O HOH 35 17.805 27.198 25.358 1.00 45.50 O HETATM 875 O HOH 36 22.895 7.011 24.644 1.00 32.58 O HETATM 876 O HOH 37 33.353 19.907 46.297 1.00 52.88 O HETATM 877 O HOH 38 19.542 18.349 42.699 1.00 70.96 O HETATM 878 O HOH 39 26.316 17.514 13.920 1.00 51.26 O HETATM 879 O HOH 40 19.479 20.986 17.061 1.00 47.48 O HETATM 880 O HOH 41 30.104 4.930 45.721 1.00 54.57 O HETATM 881 O HOH 42 18.640 26.687 48.506 1.00 42.18 O HETATM 882 O HOH 43 23.874 24.715 29.142 1.00 52.80 O HETATM 883 O HOH 44 28.777 25.529 32.466 1.00 64.12 O HETATM 884 O HOH 45 19.754 15.805 40.466 1.00 32.06 O HETATM 885 O HOH 46 17.825 2.217 21.778 1.00 58.22 O HETATM 886 O HOH 47 14.889 9.381 18.370 1.00 43.11 O HETATM 887 C1 CPQ A 48 18.400 21.185 25.754 1.00 -0.04 C HETATM 888 C2 CPQ A 48 18.122 20.048 26.833 1.00 -0.03 C HETATM 889 C11 CPQ A 48 16.490 20.251 27.418 1.00 -0.06 C HETATM 890 H15 CPQ A 48 16.270 19.476 28.167 1.00 0.02 H HETATM 891 H16 CPQ A 48 15.785 20.159 26.578 1.00 0.02 H HETATM 892 H17 CPQ A 48 16.386 21.245 27.877 1.00 0.02 H HETATM 893 C15 CPQ A 48 18.378 18.589 26.159 1.00 -0.03 C HETATM 894 C14 CPQ A 48 19.790 18.526 25.580 1.00 -0.02 C HETATM 895 C13 CPQ A 48 20.028 19.667 24.540 1.00 0.06 C HETATM 896 C12 CPQ A 48 19.778 21.074 25.200 1.00 -0.03 C HETATM 897 H18 CPQ A 48 20.503 21.220 26.015 1.00 0.03 H HETATM 898 H19 CPQ A 48 19.920 21.855 24.439 1.00 0.03 H HETATM 899 O2 CPQ A 48 21.384 19.554 24.009 1.00 -0.39 O HETATM 900 H38 CPQ A 48 21.488 18.709 23.587 1.00 0.21 H HETATM 901 H20 CPQ A 48 19.316 19.544 23.710 1.00 0.06 H HETATM 902 H21 CPQ A 48 20.518 18.629 26.398 1.00 0.03 H HETATM 903 H22 CPQ A 48 19.931 17.554 25.084 1.00 0.03 H HETATM 904 C16 CPQ A 48 18.113 17.451 27.215 1.00 -0.05 C HETATM 905 C17 CPQ A 48 18.969 17.607 28.469 1.00 -0.05 C HETATM 906 C18 CPQ A 48 18.803 19.061 29.193 1.00 -0.03 C HETATM 907 C6 CPQ A 48 19.699 19.217 30.471 1.00 -0.03 C HETATM 908 C5 CPQ A 48 19.518 20.682 31.157 1.00 0.00 C HETATM 909 C4 CPQ A 48 19.781 21.816 30.049 1.00 0.06 C HETATM 910 C3 CPQ A 48 18.937 21.681 28.880 1.00 -0.02 C HETATM 911 C19 CPQ A 48 19.111 20.211 28.177 1.00 -0.03 C HETATM 912 H29 CPQ A 48 20.157 20.113 27.850 1.00 0.03 H HETATM 913 H3 CPQ A 48 19.209 22.459 28.152 1.00 0.03 H HETATM 914 H4 CPQ A 48 17.887 21.811 29.181 1.00 0.03 H HETATM 915 O4 CPQ A 48 21.198 21.685 29.535 1.00 -0.39 O HETATM 916 H39 CPQ A 48 21.359 22.353 28.879 1.00 0.21 H HETATM 917 H5 CPQ A 48 19.626 22.805 30.506 1.00 0.06 H HETATM 918 C9 CPQ A 48 20.473 20.420 32.327 1.00 -0.03 C HETATM 919 C8 CPQ A 48 20.040 18.881 32.823 1.00 -0.05 C HETATM 920 C7 CPQ A 48 19.525 18.176 31.593 1.00 -0.05 C HETATM 921 H7 CPQ A 48 20.116 17.272 31.384 1.00 0.03 H HETATM 922 H8 CPQ A 48 18.466 17.903 31.713 1.00 0.03 H HETATM 923 H9 CPQ A 48 20.914 18.351 33.230 1.00 0.03 H HETATM 924 H10 CPQ A 48 19.254 18.934 33.590 1.00 0.03 H HETATM 925 C20 CPQ A 48 20.366 21.329 33.521 1.00 -0.04 C HETATM 926 C21 CPQ A 48 20.712 22.953 33.141 1.00 -0.06 C HETATM 927 H31 CPQ A 48 20.619 23.570 34.047 1.00 0.02 H HETATM 928 H32 CPQ A 48 20.003 23.311 32.380 1.00 0.02 H HETATM 929 H33 CPQ A 48 21.738 23.028 32.751 1.00 0.02 H HETATM 930 C22 CPQ A 48 21.468 20.812 34.639 1.00 -0.03 C HETATM 931 C23 CPQ A 48 21.578 21.517 35.992 1.00 0.04 C HETATM 932 C57 CPQ A 48 22.259 22.908 36.239 1.00 0.18 C HETATM 933 N59 CPQ A 48 22.409 23.597 37.394 1.00 -0.27 N HETATM 934 C74 CPQ A 48 23.141 24.973 37.251 1.00 0.04 C HETATM 935 C75 CPQ A 48 22.955 26.121 38.447 1.00 -0.01 C HETATM 936 C76 CPQ A 48 23.766 27.417 38.011 1.00 0.03 C HETATM 937 N77 CPQ A 48 24.229 27.978 39.314 1.00 -0.28 N HETATM 938 C78 CPQ A 48 24.071 29.322 39.739 1.00 0.21 C HETATM 939 C80 CPQ A 48 24.665 29.654 41.114 1.00 0.17 C HETATM 940 O86 CPQ A 48 25.276 28.443 41.697 1.00 -0.37 O HETATM 941 H48 CPQ A 48 25.642 28.653 42.548 1.00 0.21 H HETATM 942 C81 CPQ A 48 23.460 30.334 42.015 1.00 0.13 C HETATM 943 O87 CPQ A 48 22.219 29.500 42.175 1.00 -0.38 O HETATM 944 H50 CPQ A 48 21.588 29.972 42.705 1.00 0.21 H HETATM 945 C82 CPQ A 48 24.022 30.734 43.486 1.00 0.11 C HETATM 946 O88 CPQ A 48 24.494 29.482 44.133 1.00 -0.39 O HETATM 947 H52 CPQ A 48 25.183 29.095 43.606 1.00 0.21 H HETATM 948 C83 CPQ A 48 22.892 31.410 44.389 1.00 0.11 C HETATM 949 O89 CPQ A 48 22.440 32.656 43.717 1.00 -0.39 O HETATM 950 H54 CPQ A 48 21.766 33.071 44.242 1.00 0.21 H HETATM 951 C84 CPQ A 48 23.414 31.818 45.851 1.00 0.07 C HETATM 952 O85 CPQ A 48 22.381 32.447 46.700 1.00 -0.39 O HETATM 953 H57 CPQ A 48 22.756 32.662 47.546 1.00 0.21 H HETATM 954 H55 CPQ A 48 24.247 32.527 45.736 1.00 0.06 H HETATM 955 H56 CPQ A 48 23.773 30.910 46.357 1.00 0.06 H HETATM 956 H53 CPQ A 48 22.050 30.709 44.490 1.00 0.06 H HETATM 957 H51 CPQ A 48 24.861 31.438 43.378 1.00 0.06 H HETATM 958 H49 CPQ A 48 23.162 31.259 41.500 1.00 0.07 H HETATM 959 H47 CPQ A 48 25.462 30.402 40.992 1.00 0.09 H HETATM 960 O79 CPQ A 48 23.506 30.211 39.065 1.00 -0.39 O HETATM 961 H46 CPQ A 48 24.691 27.352 39.942 1.00 0.19 H HETATM 962 H44 CPQ A 48 23.117 28.130 37.482 1.00 0.05 H HETATM 963 H45 CPQ A 48 24.619 27.152 37.369 1.00 0.05 H HETATM 964 H42 CPQ A 48 23.349 25.736 39.399 1.00 0.03 H HETATM 965 H43 CPQ A 48 21.890 26.369 38.565 1.00 0.03 H HETATM 966 H40 CPQ A 48 22.791 25.427 36.312 1.00 0.05 H HETATM 967 H41 CPQ A 48 24.217 24.758 37.176 1.00 0.05 H HETATM 968 C68 CPQ A 48 22.005 23.276 38.743 1.00 0.04 C HETATM 969 C69 CPQ A 48 20.452 23.448 39.014 1.00 -0.01 C HETATM 970 C70 CPQ A 48 20.043 23.145 40.433 1.00 0.03 C HETATM 971 N71 CPQ A 48 21.223 22.774 41.226 1.00 -0.28 N HETATM 972 C72 CPQ A 48 21.224 22.453 42.497 1.00 0.21 C HETATM 973 C90 CPQ A 48 22.609 22.529 43.195 1.00 0.17 C HETATM 974 O96 CPQ A 48 22.620 21.831 44.454 1.00 -0.37 O HETATM 975 H66 CPQ A 48 23.482 21.902 44.846 1.00 0.21 H HETATM 976 C91 CPQ A 48 23.040 24.098 43.264 1.00 0.13 C HETATM 977 O97 CPQ A 48 21.845 24.989 43.263 1.00 -0.38 O HETATM 978 H68 CPQ A 48 22.127 25.895 43.304 1.00 0.21 H HETATM 979 C92 CPQ A 48 23.931 24.497 44.593 1.00 0.11 C HETATM 980 O98 CPQ A 48 23.701 25.938 44.801 1.00 -0.39 O HETATM 981 H70 CPQ A 48 22.775 26.092 44.944 1.00 0.21 H HETATM 982 C93 CPQ A 48 25.477 24.179 44.284 1.00 0.11 C HETATM 983 O99 CPQ A 48 25.557 22.723 44.119 1.00 -0.39 O HETATM 984 H72 CPQ A 48 26.455 22.475 43.933 1.00 0.21 H HETATM 985 C94 CPQ A 48 26.546 24.480 45.425 1.00 0.07 C HETATM 986 O95 CPQ A 48 27.883 24.110 44.906 1.00 -0.39 O HETATM 987 H75 CPQ A 48 27.890 23.186 44.683 1.00 0.21 H HETATM 988 H73 CPQ A 48 26.315 23.884 46.320 1.00 0.06 H HETATM 989 H74 CPQ A 48 26.528 25.549 45.681 1.00 0.06 H HETATM 990 H71 CPQ A 48 25.770 24.710 43.366 1.00 0.06 H HETATM 991 H69 CPQ A 48 23.603 23.926 45.474 1.00 0.06 H HETATM 992 H67 CPQ A 48 23.643 24.312 42.369 1.00 0.07 H HETATM 993 H65 CPQ A 48 23.340 22.018 42.551 1.00 0.09 H HETATM 994 O73 CPQ A 48 20.184 22.088 43.105 1.00 -0.39 O HETATM 995 H64 CPQ A 48 22.104 22.766 40.754 1.00 0.19 H HETATM 996 H62 CPQ A 48 19.325 22.311 40.435 1.00 0.05 H HETATM 997 H63 CPQ A 48 19.572 24.036 40.875 1.00 0.05 H HETATM 998 H60 CPQ A 48 19.906 22.768 38.343 1.00 0.03 H HETATM 999 H61 CPQ A 48 20.174 24.488 38.788 1.00 0.03 H HETATM 1000 H58 CPQ A 48 22.551 23.936 39.433 1.00 0.05 H HETATM 1001 H59 CPQ A 48 22.277 22.229 38.945 1.00 0.05 H HETATM 1002 O58 CPQ A 48 22.694 23.391 35.265 1.00 -0.40 O HETATM 1003 H36 CPQ A 48 22.112 20.811 36.646 1.00 0.05 H HETATM 1004 H37 CPQ A 48 20.543 21.633 36.345 1.00 0.05 H HETATM 1005 H34 CPQ A 48 22.458 20.882 34.164 1.00 0.03 H HETATM 1006 H35 CPQ A 48 21.235 19.758 34.849 1.00 0.03 H HETATM 1007 H30 CPQ A 48 19.349 21.265 33.935 1.00 0.03 H HETATM 1008 H11 CPQ A 48 21.511 20.446 31.962 1.00 0.03 H HETATM 1009 C10 CPQ A 48 17.867 20.975 31.668 1.00 -0.06 C HETATM 1010 H12 CPQ A 48 17.236 21.155 30.785 1.00 0.02 H HETATM 1011 H13 CPQ A 48 17.838 21.857 32.325 1.00 0.02 H HETATM 1012 H14 CPQ A 48 17.491 20.097 32.214 1.00 0.02 H HETATM 1013 H6 CPQ A 48 20.738 19.134 30.120 1.00 0.03 H HETATM 1014 H28 CPQ A 48 17.754 19.156 29.509 1.00 0.03 H HETATM 1015 H26 CPQ A 48 20.025 17.476 28.189 1.00 0.03 H HETATM 1016 H27 CPQ A 48 18.680 16.825 29.187 1.00 0.03 H HETATM 1017 H24 CPQ A 48 18.340 16.480 26.752 1.00 0.03 H HETATM 1018 H25 CPQ A 48 17.053 17.480 27.506 1.00 0.03 H HETATM 1019 H23 CPQ A 48 17.665 18.457 25.332 1.00 0.03 H HETATM 1020 H1 CPQ A 48 18.283 22.169 26.231 1.00 0.03 H HETATM 1021 H2 CPQ A 48 17.674 21.087 24.933 1.00 0.03 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 56 55 565 CONECT 227 226 791 CONECT 465 466 478 479 480 CONECT 478 465 CONECT 479 465 CONECT 480 465 CONECT 555 554 630 CONECT 565 56 564 CONECT 630 555 629 CONECT 791 227 790 CONECT 887 888 896 1020 1021 CONECT 888 887 889 893 911 CONECT 889 888 890 891 892 CONECT 890 889 CONECT 891 889 CONECT 892 889 CONECT 893 888 894 904 1019 CONECT 894 893 895 902 903 CONECT 895 894 896 899 901 CONECT 896 887 895 897 898 CONECT 897 896 CONECT 898 896 CONECT 899 895 900 CONECT 900 899 CONECT 901 895 CONECT 902 894 CONECT 903 894 CONECT 904 893 905 1017 1018 CONECT 905 904 906 1015 1016 CONECT 906 905 907 911 1014 CONECT 907 906 908 920 1013 CONECT 908 907 909 918 1009 CONECT 909 908 910 915 917 CONECT 910 909 911 913 914 CONECT 911 888 906 910 912 CONECT 912 911 CONECT 913 910 CONECT 914 910 CONECT 915 909 916 CONECT 916 915 CONECT 917 909 CONECT 918 908 919 925 1008 CONECT 919 918 920 923 924 CONECT 920 907 919 921 922 CONECT 921 920 CONECT 922 920 CONECT 923 919 CONECT 924 919 CONECT 925 918 926 930 1007 CONECT 926 925 927 928 929 CONECT 927 926 CONECT 928 926 CONECT 929 926 CONECT 930 925 931 1005 1006 CONECT 931 930 932 1003 1004 CONECT 932 931 933 1002 CONECT 933 932 934 968 CONECT 934 933 935 966 967 CONECT 935 934 936 964 965 CONECT 936 935 937 962 963 CONECT 937 936 938 961 CONECT 938 937 939 960 CONECT 939 938 940 942 959 CONECT 940 939 941 CONECT 941 940 CONECT 942 939 943 945 958 CONECT 943 942 944 CONECT 944 943 CONECT 945 942 946 948 957 CONECT 946 945 947 CONECT 947 946 CONECT 948 945 949 951 956 CONECT 949 948 950 CONECT 950 949 CONECT 951 948 952 954 955 CONECT 952 951 953 CONECT 953 952 CONECT 954 951 CONECT 955 951 CONECT 956 948 CONECT 957 945 CONECT 958 942 CONECT 959 939 CONECT 960 938 CONECT 961 937 CONECT 962 936 CONECT 963 936 CONECT 964 935 CONECT 965 935 CONECT 966 934 CONECT 967 934 CONECT 968 933 969 1000 1001 CONECT 969 968 970 998 999 CONECT 970 969 971 996 997 CONECT 971 970 972 995 CONECT 972 971 973 994 CONECT 973 972 974 976 993 CONECT 974 973 975 CONECT 975 974 CONECT 976 973 977 979 992 CONECT 977 976 978 CONECT 978 977 CONECT 979 976 980 982 991 CONECT 980 979 981 CONECT 981 980 CONECT 982 979 983 985 990 CONECT 983 982 984 CONECT 984 983 CONECT 985 982 986 988 989 CONECT 986 985 987 CONECT 987 986 CONECT 988 985 CONECT 989 985 CONECT 990 982 CONECT 991 979 CONECT 992 976 CONECT 993 973 CONECT 994 972 CONECT 995 971 CONECT 996 970 CONECT 997 970 CONECT 998 969 CONECT 999 969 CONECT 1000 968 CONECT 1001 968 CONECT 1002 932 CONECT 1003 931 CONECT 1004 931 CONECT 1005 930 CONECT 1006 930 CONECT 1007 925 CONECT 1008 918 CONECT 1009 908 1010 1011 1012 CONECT 1010 1009 CONECT 1011 1009 CONECT 1012 1009 CONECT 1013 907 CONECT 1014 906 CONECT 1015 905 CONECT 1016 905 CONECT 1017 904 CONECT 1018 904 CONECT 1019 893 CONECT 1020 887 CONECT 1021 887 MASTER 0 0 0 0 0 0 0 0 1019 2 149 5 END
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Structure:
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Related entries of code: 1imx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1wqj
RCSB PDB
PDBbind
70aa, >1WQJ_2|Chain... at 100%
2dsp
RCSB PDB
PDBbind
70aa, >2DSP_2|Chain... at 100%
2dsq
RCSB PDB
PDBbind
70aa, >2DSQ_2|Chains... at 100%
2dsr
RCSB PDB
PDBbind
70aa, >2DSR_3|Chain... at 100%
5u8q
RCSB PDB
PDBbind
70aa, >5U8Q_2|Chain... at 100%
6ff3
RCSB PDB
PDBbind
70aa, >6FF3_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1imx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
insulin-like growth factor 1a
Ligand Name
CPQ
EC.Number
E.C.-.-.-.-
Resolution
1.82(Å)
Affinity (Kd/Ki/IC50)
Kd=300uM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v40 pp. 11022-9, 2001
Ligand Properties
Formula
C
4
2
H
7
5
N
3
O
1
5
Molecular Weight
862.056
Exact Mass
861.520
No. of atoms
135
No. of bonds
138
Polar Surface Area
321.27
LOGP Value
-2.12 (
Computed with XLOGP3
)
-2.11 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 37
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 4
Canonical SMILES
OC[C@H]([C@H]([C@@H]([C@H](C(=O)NCCCN(C(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)O)C)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O
InChI String
InChI=1S/C42H75N3O15/c1-22(26-9-10-27-25-8-7-23-18-24(48)12-13-41(23,2)28(25)19-31(51)42(26,27)3)6-11-32(52)45(16-4-14-43-39(59)37(57)35(55)33(53)29(49)20-46)17-5-15-44-40(60)38(58)36(56)34(54)30(50)21-47/h22-31,33-38,46-51,53-58H,4-21H2,1-3H3,(H,43,59)(H,44,60)/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31+,33-,34-,35+,36+,37-,38-,41+,42-/m1/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):
P05019
Entrez Gene ID
NCBI Entrez Gene ID:
3479
ASD
Information of known allosteric effects of PDB entries
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