Browse entries in the PDBbind-CN Database
HEADER 6R1X_COMPLEX COMPND 6R1X_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 104 SER ILE PHE ARG CYS ARG GLN CYS GLY GLN THR ILE SER SEQRES 2 A 104 ARG ARG ASP TRP LEU LEU PRO MET GLY GLY ASP HIS GLU SEQRES 3 A 104 HIS VAL VAL PHE ASN PRO ALA GLY MET ILE PHE ARG VAL SEQRES 4 A 104 TRP CYS PHE SER LEU ALA GLN GLY LEU ARG LEU ILE GLY SEQRES 5 A 104 ALA PRO SER GLY GLU PHE SER TRP PHE LYS GLY TYR ASP SEQRES 6 A 104 TRP THR ILE ALA LEU CYS GLY GLN CYS GLY SER HIS LEU SEQRES 7 A 104 GLY TRP HIS TYR GLU GLY GLY SER GLN PRO GLN THR PHE SEQRES 8 A 104 PHE GLY LEU ILE LYS ASP ARG LEU ALA GLU GLY PRO ALA HET ZN A 1 1 HET JPQ A 169 26 ATOM 1 N SER A 20 12.261 13.606 18.385 1.00 39.40 N ATOM 2 CA SER A 20 13.669 13.681 17.924 1.00 38.41 C ATOM 3 C SER A 20 13.740 14.564 16.684 1.00 34.40 C ATOM 4 O SER A 20 12.946 14.366 15.736 1.00 34.73 O ATOM 5 CB SER A 20 14.089 12.278 17.584 1.00 42.53 C ATOM 6 OG SER A 20 15.444 12.203 17.340 1.00 45.53 O ATOM 7 HG SER A 20 15.687 11.269 17.120 1.00 0.00 H ATOM 8 HN3 SER A 20 11.672 13.200 17.631 1.00 0.00 H ATOM 9 HN2 SER A 20 11.921 14.562 18.615 1.00 0.00 H ATOM 10 HN1 SER A 20 12.206 13.004 19.232 1.00 0.00 H ATOM 11 N ILE A 21 14.643 15.549 16.698 1.00 29.35 N ATOM 12 CA ILE A 21 14.690 16.532 15.638 1.00 28.60 C ATOM 13 C ILE A 21 16.109 16.658 15.132 1.00 25.11 C ATOM 14 O ILE A 21 17.047 16.296 15.811 1.00 25.43 O ATOM 15 CB ILE A 21 14.134 17.906 16.046 1.00 30.48 C ATOM 16 CG1 ILE A 21 15.019 18.616 17.038 1.00 31.47 C ATOM 17 CG2 ILE A 21 12.697 17.802 16.611 1.00 31.69 C ATOM 18 CD1 ILE A 21 14.783 20.126 17.023 1.00 33.90 C ATOM 19 H ILE A 21 15.322 15.610 17.483 1.00 0.00 H ATOM 20 N PHE A 22 16.239 17.222 13.946 1.00 22.95 N ATOM 21 CA PHE A 22 17.510 17.466 13.324 1.00 22.04 C ATOM 22 C PHE A 22 17.776 18.943 13.280 1.00 21.89 C ATOM 23 O PHE A 22 16.920 19.718 12.848 1.00 20.67 O ATOM 24 CB PHE A 22 17.554 16.899 11.910 1.00 22.10 C ATOM 25 CG PHE A 22 17.441 15.408 11.876 1.00 22.94 C ATOM 26 CD1 PHE A 22 18.513 14.618 12.275 1.00 24.85 C ATOM 27 CD2 PHE A 22 16.249 14.788 11.546 1.00 24.21 C ATOM 28 CE1 PHE A 22 18.421 13.236 12.282 1.00 24.85 C ATOM 29 CE2 PHE A 22 16.147 13.397 11.576 1.00 24.92 C ATOM 30 CZ PHE A 22 17.220 12.627 11.975 1.00 25.15 C ATOM 31 H PHE A 22 15.377 17.504 13.436 1.00 0.00 H ATOM 32 N ARG A 23 18.953 19.322 13.765 1.00 22.13 N ATOM 33 CA ARG A 23 19.454 20.685 13.709 1.00 21.78 C ATOM 34 C ARG A 23 20.700 20.755 12.830 1.00 22.10 C ATOM 35 O ARG A 23 21.397 19.768 12.601 1.00 22.32 O ATOM 36 CB ARG A 23 19.829 21.170 15.131 1.00 22.49 C ATOM 37 CG ARG A 23 18.620 21.401 16.038 1.00 22.82 C ATOM 38 CD ARG A 23 18.983 21.846 17.460 1.00 24.29 C ATOM 39 NE ARG A 23 17.752 22.045 18.225 1.00 25.17 N ATOM 40 CZ ARG A 23 16.878 23.028 18.069 1.00 27.29 C ATOM 41 NH1 ARG A 23 17.115 24.052 17.244 1.00 29.13 N ATOM 42 NH2 ARG A 23 15.763 23.014 18.776 1.00 29.39 N ATOM 43 HE ARG A 23 17.542 21.345 18.965 1.00 0.00 H ATOM 44 HH12 ARG A 23 16.411 24.810 17.141 1.00 0.00 H ATOM 45 HH11 ARG A 23 18.004 24.091 16.705 1.00 0.00 H ATOM 46 HH22 ARG A 23 15.067 23.779 18.665 1.00 0.00 H ATOM 47 HH21 ARG A 23 15.581 22.238 19.444 1.00 0.00 H ATOM 48 H ARG A 23 19.553 18.599 14.212 1.00 0.00 H ATOM 49 N CYS A 24 20.990 21.939 12.311 1.00 22.07 N ATOM 50 CA CYS A 24 22.225 22.185 11.611 1.00 21.67 C ATOM 51 C CYS A 24 23.376 21.967 12.591 1.00 22.06 C ATOM 52 O CYS A 24 23.399 22.539 13.672 1.00 22.72 O ATOM 53 CB CYS A 24 22.282 23.577 11.046 1.00 21.56 C ATOM 54 SG CYS A 24 23.888 24.035 10.329 1.00 22.97 S ATOM 55 H CYS A 24 20.305 22.715 12.412 1.00 0.00 H ATOM 56 N ARG A 25 24.293 21.131 12.184 1.00 22.72 N ATOM 57 CA ARG A 25 25.432 20.797 13.013 1.00 25.78 C ATOM 58 C ARG A 25 26.351 22.000 13.325 1.00 25.36 C ATOM 59 O ARG A 25 27.023 22.014 14.347 1.00 25.60 O ATOM 60 CB ARG A 25 26.198 19.736 12.242 1.00 27.71 C ATOM 61 CG ARG A 25 27.376 19.245 12.888 1.00 29.74 C ATOM 62 CD ARG A 25 28.044 18.311 11.921 1.00 29.09 C ATOM 63 NE ARG A 25 29.298 18.056 12.560 1.00 29.04 N ATOM 64 CZ ARG A 25 30.148 17.113 12.200 1.00 29.52 C ATOM 65 NH1 ARG A 25 29.839 16.237 11.223 1.00 28.52 N ATOM 66 NH2 ARG A 25 31.274 17.032 12.894 1.00 30.09 N ATOM 67 HE ARG A 25 29.559 18.658 13.367 1.00 0.00 H ATOM 68 HH12 ARG A 25 30.520 15.500 10.951 1.00 0.00 H ATOM 69 HH11 ARG A 25 28.919 16.299 10.741 1.00 0.00 H ATOM 70 HH22 ARG A 25 31.981 16.308 12.655 1.00 0.00 H ATOM 71 HH21 ARG A 25 31.451 17.693 13.678 1.00 0.00 H ATOM 72 H ARG A 25 24.203 20.696 11.244 1.00 0.00 H ATOM 73 N GLN A 26 26.371 22.980 12.445 1.00 27.07 N ATOM 74 CA GLN A 26 27.285 24.133 12.556 1.00 28.22 C ATOM 75 C GLN A 26 26.720 25.219 13.442 1.00 28.83 C ATOM 76 O GLN A 26 27.479 25.928 14.111 1.00 30.19 O ATOM 77 CB GLN A 26 27.614 24.673 11.165 1.00 31.33 C ATOM 78 CG GLN A 26 28.482 23.714 10.357 1.00 34.23 C ATOM 79 CD GLN A 26 29.689 23.235 11.168 1.00 37.65 C ATOM 80 OE1 GLN A 26 30.396 24.065 11.741 1.00 43.13 O ATOM 81 NE2 GLN A 26 29.881 21.902 11.288 1.00 39.47 N ATOM 82 HE22 GLN A 26 29.257 21.239 10.784 1.00 0.00 H ATOM 83 HE21 GLN A 26 30.652 21.539 11.884 1.00 0.00 H ATOM 84 H GLN A 26 25.715 22.939 11.639 1.00 0.00 H ATOM 85 N CYS A 27 25.417 25.394 13.471 1.00 24.98 N ATOM 86 CA CYS A 27 24.859 26.486 14.258 1.00 25.16 C ATOM 87 C CYS A 27 23.655 26.182 15.125 1.00 24.90 C ATOM 88 O CYS A 27 23.223 27.042 15.911 1.00 26.12 O ATOM 89 CB CYS A 27 24.566 27.640 13.299 1.00 24.27 C ATOM 90 SG CYS A 27 23.152 27.230 12.280 1.00 22.19 S ATOM 91 H CYS A 27 24.790 24.759 12.937 1.00 0.00 H ATOM 92 N GLY A 28 23.049 25.014 14.962 1.00 23.63 N ATOM 93 CA GLY A 28 21.909 24.648 15.741 1.00 22.81 C ATOM 94 C GLY A 28 20.549 24.981 15.194 1.00 22.50 C ATOM 95 O GLY A 28 19.559 24.645 15.806 1.00 23.27 O ATOM 96 H GLY A 28 23.412 24.349 14.250 1.00 0.00 H ATOM 97 N GLN A 29 20.481 25.621 14.024 1.00 22.63 N ATOM 98 CA GLN A 29 19.212 25.943 13.388 1.00 22.29 C ATOM 99 C GLN A 29 18.333 24.683 13.275 1.00 22.43 C ATOM 100 O GLN A 29 18.798 23.636 12.879 1.00 20.15 O ATOM 101 CB GLN A 29 19.474 26.470 11.968 1.00 23.18 C ATOM 102 CG GLN A 29 18.222 26.682 11.147 1.00 23.52 C ATOM 103 CD GLN A 29 17.636 28.058 11.282 1.00 25.59 C ATOM 104 OE1 GLN A 29 17.507 28.583 12.383 1.00 25.90 O ATOM 105 NE2 GLN A 29 17.391 28.710 10.125 1.00 27.68 N ATOM 106 HE22 GLN A 29 17.515 28.220 9.216 1.00 0.00 H ATOM 107 HE21 GLN A 29 17.078 29.702 10.143 1.00 0.00 H ATOM 108 H GLN A 29 21.365 25.899 13.551 1.00 0.00 H ATOM 109 N THR A 30 17.076 24.830 13.613 1.00 23.23 N ATOM 110 CA THR A 30 16.155 23.678 13.532 1.00 23.63 C ATOM 111 C THR A 30 15.814 23.430 12.052 1.00 23.89 C ATOM 112 O THR A 30 15.487 24.355 11.321 1.00 22.80 O ATOM 113 CB THR A 30 14.893 23.870 14.397 1.00 25.20 C ATOM 114 OG1 THR A 30 14.165 22.648 14.428 1.00 26.54 O ATOM 115 CG2 THR A 30 14.003 24.998 13.864 1.00 25.31 C ATOM 116 HG1 THR A 30 13.353 22.763 14.982 1.00 0.00 H ATOM 117 H THR A 30 16.728 25.755 13.937 1.00 0.00 H ATOM 118 N ILE A 31 15.961 22.174 11.629 1.00 21.27 N ATOM 119 CA ILE A 31 15.825 21.840 10.207 1.00 21.44 C ATOM 120 C ILE A 31 14.727 20.840 9.923 1.00 22.18 C ATOM 121 O ILE A 31 13.924 21.057 9.029 1.00 21.29 O ATOM 122 CB ILE A 31 17.135 21.323 9.581 1.00 20.26 C ATOM 123 CG1 ILE A 31 18.266 22.343 9.772 1.00 19.56 C ATOM 124 CG2 ILE A 31 16.959 20.980 8.125 1.00 20.45 C ATOM 125 CD1 ILE A 31 18.084 23.660 9.044 1.00 20.13 C ATOM 126 H ILE A 31 16.175 21.422 12.315 1.00 0.00 H ATOM 127 N SER A 32 14.720 19.714 10.602 1.00 21.95 N ATOM 128 CA SER A 32 13.728 18.690 10.273 1.00 23.18 C ATOM 129 C SER A 32 13.496 17.782 11.459 1.00 23.53 C ATOM 130 O SER A 32 13.962 18.067 12.559 1.00 23.30 O ATOM 131 CB SER A 32 14.146 17.894 9.033 1.00 23.06 C ATOM 132 OG SER A 32 13.035 17.230 8.458 1.00 24.40 O ATOM 133 HG SER A 32 12.354 17.898 8.193 1.00 0.00 H ATOM 134 H SER A 32 15.411 19.553 11.363 1.00 0.00 H ATOM 135 N ARG A 33 12.737 16.711 11.259 1.00 26.22 N ATOM 136 CA ARG A 33 12.377 15.795 12.346 1.00 28.10 C ATOM 137 C ARG A 33 12.516 14.391 11.832 1.00 26.99 C ATOM 138 O ARG A 33 12.244 14.100 10.655 1.00 25.11 O ATOM 139 CB ARG A 33 10.905 15.982 12.796 1.00 33.17 C ATOM 140 CG ARG A 33 10.441 17.421 12.952 1.00 38.28 C ATOM 141 CD ARG A 33 9.071 17.535 13.631 1.00 41.35 C ATOM 142 NE ARG A 33 8.891 16.725 14.847 1.00 47.47 N ATOM 143 CZ ARG A 33 8.950 17.159 16.120 1.00 50.05 C ATOM 144 NH1 ARG A 33 9.221 18.428 16.433 1.00 52.21 N ATOM 145 NH2 ARG A 33 8.763 16.290 17.101 1.00 53.11 N ATOM 146 HE ARG A 33 8.698 15.712 14.708 1.00 0.00 H ATOM 147 HH12 ARG A 33 9.257 18.721 17.430 1.00 0.00 H ATOM 148 HH11 ARG A 33 9.396 19.123 15.680 1.00 0.00 H ATOM 149 HH22 ARG A 33 8.805 16.606 18.091 1.00 0.00 H ATOM 150 HH21 ARG A 33 8.574 15.291 16.882 1.00 0.00 H ATOM 151 H ARG A 33 12.386 16.515 10.300 1.00 0.00 H ATOM 152 N ARG A 34 12.800 13.467 12.731 1.00 27.22 N ATOM 153 CA ARG A 34 12.812 12.071 12.340 1.00 29.05 C ATOM 154 C ARG A 34 11.448 11.581 11.766 1.00 27.32 C ATOM 155 O ARG A 34 11.410 10.786 10.815 1.00 27.40 O ATOM 156 CB ARG A 34 13.212 11.212 13.539 1.00 31.36 C ATOM 157 CG ARG A 34 13.448 9.759 13.174 1.00 35.44 C ATOM 158 CD ARG A 34 14.297 9.050 14.240 1.00 37.20 C ATOM 159 NE ARG A 34 15.745 9.183 14.047 1.00 38.20 N ATOM 160 CZ ARG A 34 16.472 8.521 13.130 1.00 40.42 C ATOM 161 NH1 ARG A 34 15.917 7.667 12.268 1.00 41.17 N ATOM 162 NH2 ARG A 34 17.771 8.723 13.063 1.00 39.81 N ATOM 163 HE ARG A 34 16.251 9.844 14.671 1.00 0.00 H ATOM 164 HH12 ARG A 34 16.510 7.172 11.572 1.00 0.00 H ATOM 165 HH11 ARG A 34 14.891 7.496 12.292 1.00 0.00 H ATOM 166 HH22 ARG A 34 18.341 8.215 12.357 1.00 0.00 H ATOM 167 HH21 ARG A 34 18.228 9.391 13.717 1.00 0.00 H ATOM 168 H ARG A 34 13.013 13.738 13.712 1.00 0.00 H ATOM 169 N ASP A 35 10.363 12.102 12.322 1.00 28.54 N ATOM 170 CA ASP A 35 9.002 11.816 11.825 1.00 30.57 C ATOM 171 C ASP A 35 8.817 12.161 10.357 1.00 29.43 C ATOM 172 O ASP A 35 7.896 11.654 9.719 1.00 27.95 O ATOM 173 CB ASP A 35 7.955 12.601 12.628 1.00 32.62 C ATOM 174 CG ASP A 35 7.733 12.055 14.023 1.00 35.69 C ATOM 175 OD1 ASP A 35 8.157 10.926 14.330 1.00 37.55 O ATOM 176 OD2 ASP A 35 7.095 12.788 14.799 1.00 39.09 O ATOM 177 H ASP A 35 10.475 12.736 13.139 1.00 0.00 H ATOM 178 N TRP A 36 9.668 13.060 9.830 1.00 26.20 N ATOM 179 CA TRP A 36 9.521 13.552 8.467 1.00 25.84 C ATOM 180 C TRP A 36 10.388 12.828 7.431 1.00 25.94 C ATOM 181 O TRP A 36 10.373 13.171 6.255 1.00 24.27 O ATOM 182 CB TRP A 36 9.729 15.063 8.419 1.00 26.26 C ATOM 183 CG TRP A 36 8.774 15.852 9.254 1.00 27.55 C ATOM 184 CD1 TRP A 36 7.575 15.441 9.791 1.00 28.38 C ATOM 185 CD2 TRP A 36 8.903 17.216 9.586 1.00 27.89 C ATOM 186 NE1 TRP A 36 6.996 16.452 10.493 1.00 28.82 N ATOM 187 CE2 TRP A 36 7.749 17.582 10.319 1.00 29.53 C ATOM 188 CE3 TRP A 36 9.845 18.195 9.263 1.00 28.53 C ATOM 189 CZ2 TRP A 36 7.558 18.879 10.813 1.00 30.02 C ATOM 190 CZ3 TRP A 36 9.668 19.489 9.782 1.00 28.46 C ATOM 191 CH2 TRP A 36 8.521 19.819 10.524 1.00 30.22 C ATOM 192 HE1 TRP A 36 6.130 16.379 11.064 1.00 0.00 H ATOM 193 H TRP A 36 10.453 13.414 10.413 1.00 0.00 H ATOM 194 N LEU A 37 11.109 11.803 7.852 1.00 27.14 N ATOM 195 CA LEU A 37 11.860 10.996 6.908 1.00 29.21 C ATOM 196 C LEU A 37 10.913 10.407 5.845 1.00 31.40 C ATOM 197 O LEU A 37 9.762 10.055 6.157 1.00 31.91 O ATOM 198 CB LEU A 37 12.606 9.878 7.629 1.00 30.46 C ATOM 199 CG LEU A 37 13.868 10.320 8.360 1.00 30.41 C ATOM 200 CD1 LEU A 37 14.369 9.247 9.315 1.00 32.13 C ATOM 201 CD2 LEU A 37 14.971 10.723 7.389 1.00 29.94 C ATOM 202 H LEU A 37 11.138 11.574 8.866 1.00 0.00 H ATOM 203 N LEU A 38 11.410 10.266 4.629 1.00 32.83 N ATOM 204 CA LEU A 38 10.659 9.789 3.467 1.00 36.00 C ATOM 205 C LEU A 38 11.420 8.648 2.768 1.00 41.76 C ATOM 206 O LEU A 38 12.529 8.858 2.249 1.00 42.21 O ATOM 207 CB LEU A 38 10.527 10.928 2.490 1.00 36.58 C ATOM 208 CG LEU A 38 9.861 10.713 1.126 1.00 37.25 C ATOM 209 CD1 LEU A 38 8.427 10.265 1.329 1.00 37.92 C ATOM 210 CD2 LEU A 38 9.932 12.013 0.304 1.00 36.31 C ATOM 211 H LEU A 38 12.410 10.513 4.487 1.00 0.00 H ATOM 212 N PRO A 39 10.844 7.443 2.707 1.00 48.89 N ATOM 213 CA PRO A 39 11.554 6.372 1.970 1.00 51.82 C ATOM 214 C PRO A 39 11.434 6.452 0.437 1.00 53.94 C ATOM 215 O PRO A 39 10.720 5.669 -0.162 1.00 59.98 O ATOM 216 CB PRO A 39 10.939 5.070 2.534 1.00 52.29 C ATOM 217 CG PRO A 39 9.781 5.457 3.401 1.00 52.28 C ATOM 218 CD PRO A 39 9.634 6.968 3.396 1.00 50.61 C ATOM 219 N MET A 40 12.172 7.364 -0.189 1.00 54.72 N ATOM 220 CA MET A 40 12.204 7.503 -1.657 1.00 55.73 C ATOM 221 C MET A 40 12.862 6.268 -2.259 1.00 56.85 C ATOM 222 O MET A 40 13.941 5.852 -1.824 1.00 55.35 O ATOM 223 CB MET A 40 13.005 8.753 -2.066 1.00 56.68 C ATOM 224 CG MET A 40 12.908 9.135 -3.540 1.00 59.36 C ATOM 225 SD MET A 40 11.574 10.255 -4.051 1.00 64.34 S ATOM 226 CE MET A 40 10.479 10.370 -2.640 1.00 58.87 C ATOM 227 H MET A 40 12.754 8.009 0.383 1.00 0.00 H ATOM 228 N GLY A 41 12.191 5.664 -3.240 1.00 58.97 N ATOM 229 CA GLY A 41 12.643 4.402 -3.842 1.00 60.11 C ATOM 230 C GLY A 41 12.868 3.250 -2.858 1.00 61.46 C ATOM 231 O GLY A 41 13.715 2.384 -3.111 1.00 62.20 O ATOM 232 H GLY A 41 11.316 6.102 -3.592 1.00 0.00 H ATOM 233 N GLY A 42 12.139 3.243 -1.735 1.00 58.91 N ATOM 234 CA GLY A 42 12.271 2.191 -0.727 1.00 58.00 C ATOM 235 C GLY A 42 13.176 2.463 0.469 1.00 57.69 C ATOM 236 O GLY A 42 13.137 1.707 1.436 1.00 55.90 O ATOM 237 H GLY A 42 11.456 4.011 -1.574 1.00 0.00 H ATOM 238 N ASP A 43 13.982 3.524 0.440 1.00 55.20 N ATOM 239 CA ASP A 43 14.934 3.763 1.524 1.00 53.70 C ATOM 240 C ASP A 43 15.063 5.264 1.741 1.00 48.63 C ATOM 241 O ASP A 43 15.123 6.028 0.776 1.00 46.13 O ATOM 242 CB ASP A 43 16.288 3.143 1.154 1.00 56.35 C ATOM 243 CG ASP A 43 17.242 2.981 2.359 1.00 57.10 C ATOM 244 OD1 ASP A 43 17.138 3.705 3.380 1.00 54.73 O ATOM 245 OD2 ASP A 43 18.138 2.114 2.274 1.00 60.54 O ATOM 246 H ASP A 43 13.934 4.187 -0.360 1.00 0.00 H ATOM 247 N HIS A 44 15.086 5.707 2.994 1.00 48.50 N ATOM 248 CA HIS A 44 15.322 7.134 3.227 1.00 47.68 C ATOM 249 C HIS A 44 16.792 7.529 2.938 1.00 45.06 C ATOM 250 O HIS A 44 17.029 8.691 2.654 1.00 40.55 O ATOM 251 CB HIS A 44 14.870 7.587 4.620 1.00 49.45 C ATOM 252 CG HIS A 44 15.675 7.021 5.734 1.00 51.78 C ATOM 253 ND1 HIS A 44 15.293 5.890 6.424 1.00 54.92 N ATOM 254 CD2 HIS A 44 16.855 7.413 6.273 1.00 54.17 C ATOM 255 CE1 HIS A 44 16.204 5.613 7.346 1.00 57.86 C ATOM 256 NE2 HIS A 44 17.163 6.523 7.278 1.00 54.87 N ATOM 257 H HIS A 44 14.940 5.055 3.791 1.00 0.00 H ATOM 258 N GLU A 45 17.725 6.558 2.997 1.00 42.28 N ATOM 259 CA GLU A 45 19.162 6.800 2.753 1.00 41.99 C ATOM 260 C GLU A 45 19.622 6.441 1.337 1.00 41.68 C ATOM 261 O GLU A 45 19.355 5.329 0.864 1.00 40.36 O ATOM 262 CB GLU A 45 20.050 6.049 3.759 1.00 42.18 C ATOM 263 CG GLU A 45 21.509 6.460 3.589 1.00 43.80 C ATOM 264 CD GLU A 45 22.458 5.930 4.616 1.00 47.63 C ATOM 265 OE1 GLU A 45 22.841 4.757 4.465 1.00 52.83 O ATOM 266 OE2 GLU A 45 22.888 6.691 5.505 1.00 50.19 O ATOM 267 H GLU A 45 17.418 5.591 3.226 1.00 0.00 H ATOM 268 N HIS A 46 20.319 7.378 0.689 1.00 36.14 N ATOM 269 CA HIS A 46 20.877 7.207 -0.649 1.00 35.85 C ATOM 270 C HIS A 46 22.325 7.714 -0.646 1.00 35.03 C ATOM 271 O HIS A 46 22.567 8.870 -0.284 1.00 33.94 O ATOM 272 CB HIS A 46 20.054 8.020 -1.643 1.00 38.04 C ATOM 273 CG HIS A 46 18.637 7.549 -1.781 1.00 42.16 C ATOM 274 ND1 HIS A 46 18.194 6.846 -2.878 1.00 43.32 N ATOM 275 CD2 HIS A 46 17.572 7.653 -0.946 1.00 43.16 C ATOM 276 CE1 HIS A 46 16.906 6.575 -2.726 1.00 44.59 C ATOM 277 NE2 HIS A 46 16.518 7.020 -1.548 1.00 43.59 N ATOM 278 H HIS A 46 20.474 8.288 1.168 1.00 0.00 H ATOM 279 N VAL A 47 23.288 6.860 -1.036 1.00 32.53 N ATOM 280 CA VAL A 47 24.678 7.273 -1.102 1.00 31.29 C ATOM 281 C VAL A 47 25.051 7.576 -2.544 1.00 30.57 C ATOM 282 O VAL A 47 24.980 6.706 -3.429 1.00 30.60 O ATOM 283 CB VAL A 47 25.643 6.236 -0.508 1.00 34.18 C ATOM 284 CG1 VAL A 47 27.073 6.759 -0.511 1.00 34.59 C ATOM 285 CG2 VAL A 47 25.258 5.947 0.924 1.00 35.01 C ATOM 286 H VAL A 47 23.032 5.886 -1.295 1.00 0.00 H ATOM 287 N VAL A 48 25.482 8.798 -2.786 1.00 28.50 N ATOM 288 CA VAL A 48 25.572 9.332 -4.137 1.00 27.59 C ATOM 289 C VAL A 48 26.816 10.184 -4.289 1.00 27.44 C ATOM 290 O VAL A 48 27.392 10.639 -3.306 1.00 26.57 O ATOM 291 CB VAL A 48 24.314 10.162 -4.493 1.00 27.15 C ATOM 292 CG1 VAL A 48 23.089 9.245 -4.609 1.00 29.02 C ATOM 293 CG2 VAL A 48 24.053 11.249 -3.466 1.00 27.33 C ATOM 294 H VAL A 48 25.767 9.399 -1.987 1.00 0.00 H ATOM 295 N PHE A 49 27.233 10.396 -5.536 1.00 28.11 N ATOM 296 CA PHE A 49 28.351 11.264 -5.823 1.00 28.38 C ATOM 297 C PHE A 49 27.930 12.313 -6.857 1.00 28.76 C ATOM 298 O PHE A 49 27.134 12.037 -7.757 1.00 27.34 O ATOM 299 CB PHE A 49 29.526 10.479 -6.408 1.00 31.66 C ATOM 300 CG PHE A 49 30.196 9.496 -5.498 1.00 33.90 C ATOM 301 CD1 PHE A 49 29.760 8.174 -5.412 1.00 37.17 C ATOM 302 CD2 PHE A 49 31.383 9.834 -4.855 1.00 35.75 C ATOM 303 CE1 PHE A 49 30.442 7.269 -4.602 1.00 36.80 C ATOM 304 CE2 PHE A 49 32.053 8.925 -4.041 1.00 37.03 C ATOM 305 CZ PHE A 49 31.592 7.641 -3.925 1.00 37.06 C ATOM 306 H PHE A 49 26.742 9.925 -6.322 1.00 0.00 H ATOM 307 N ASN A 50 28.474 13.513 -6.720 1.00 26.92 N ATOM 308 CA ASN A 50 28.259 14.568 -7.702 1.00 28.78 C ATOM 309 C ASN A 50 29.404 14.581 -8.759 1.00 29.28 C ATOM 310 O ASN A 50 30.335 13.776 -8.665 1.00 29.58 O ATOM 311 CB ASN A 50 28.009 15.915 -6.994 1.00 28.44 C ATOM 312 CG ASN A 50 29.251 16.523 -6.357 1.00 29.39 C ATOM 313 OD1 ASN A 50 30.388 16.051 -6.549 1.00 28.09 O ATOM 314 ND2 ASN A 50 29.051 17.615 -5.609 1.00 28.20 N ATOM 315 HD22 ASN A 50 28.087 17.981 -5.470 1.00 0.00 H ATOM 316 HD21 ASN A 50 29.859 18.097 -5.167 1.00 0.00 H ATOM 317 H ASN A 50 29.070 13.707 -5.890 1.00 0.00 H ATOM 318 N PRO A 51 29.326 15.471 -9.768 1.00 31.18 N ATOM 319 CA PRO A 51 30.382 15.447 -10.803 1.00 31.56 C ATOM 320 C PRO A 51 31.776 15.863 -10.323 1.00 31.68 C ATOM 321 O PRO A 51 32.767 15.546 -10.983 1.00 31.10 O ATOM 322 CB PRO A 51 29.854 16.426 -11.877 1.00 32.13 C ATOM 323 CG PRO A 51 28.363 16.451 -11.658 1.00 33.62 C ATOM 324 CD PRO A 51 28.176 16.321 -10.173 1.00 31.70 C ATOM 325 N ALA A 52 31.839 16.541 -9.184 1.00 28.73 N ATOM 326 CA ALA A 52 33.094 16.875 -8.519 1.00 28.92 C ATOM 327 C ALA A 52 33.641 15.746 -7.647 1.00 27.51 C ATOM 328 O ALA A 52 34.629 15.932 -6.937 1.00 28.92 O ATOM 329 CB ALA A 52 32.885 18.119 -7.667 1.00 29.14 C ATOM 330 H ALA A 52 30.949 16.850 -8.743 1.00 0.00 H ATOM 331 N GLY A 53 32.986 14.595 -7.681 1.00 27.20 N ATOM 332 CA GLY A 53 33.443 13.413 -6.999 1.00 27.97 C ATOM 333 C GLY A 53 33.153 13.386 -5.501 1.00 28.49 C ATOM 334 O GLY A 53 33.616 12.479 -4.811 1.00 27.92 O ATOM 335 H GLY A 53 32.101 14.543 -8.225 1.00 0.00 H ATOM 336 N MET A 54 32.345 14.329 -5.019 1.00 29.24 N ATOM 337 CA MET A 54 31.997 14.394 -3.605 1.00 31.04 C ATOM 338 C MET A 54 30.929 13.342 -3.339 1.00 30.02 C ATOM 339 O MET A 54 29.927 13.284 -4.060 1.00 27.09 O ATOM 340 CB MET A 54 31.411 15.754 -3.227 1.00 34.20 C ATOM 341 CG MET A 54 32.273 16.945 -3.456 1.00 36.86 C ATOM 342 SD MET A 54 32.000 18.052 -2.034 1.00 41.47 S ATOM 343 CE MET A 54 31.862 16.937 -0.634 1.00 39.56 C ATOM 344 H MET A 54 31.952 15.039 -5.670 1.00 0.00 H ATOM 345 N ILE A 55 31.147 12.544 -2.293 1.00 29.26 N ATOM 346 CA ILE A 55 30.227 11.552 -1.834 1.00 30.57 C ATOM 347 C ILE A 55 29.310 12.182 -0.797 1.00 29.80 C ATOM 348 O ILE A 55 29.776 12.969 0.066 1.00 28.95 O ATOM 349 CB ILE A 55 30.956 10.337 -1.218 1.00 33.48 C ATOM 350 CG1 ILE A 55 29.985 9.160 -1.130 1.00 34.72 C ATOM 351 CG2 ILE A 55 31.642 10.649 0.132 1.00 35.76 C ATOM 352 CD1 ILE A 55 30.525 7.904 -0.512 1.00 38.12 C ATOM 353 H ILE A 55 32.044 12.651 -1.778 1.00 0.00 H ATOM 354 N PHE A 56 28.017 11.875 -0.894 1.00 26.91 N ATOM 355 CA PHE A 56 27.066 12.357 0.107 1.00 26.65 C ATOM 356 C PHE A 56 26.217 11.177 0.510 1.00 26.87 C ATOM 357 O PHE A 56 25.750 10.393 -0.334 1.00 26.10 O ATOM 358 CB PHE A 56 26.160 13.423 -0.472 1.00 26.09 C ATOM 359 CG PHE A 56 26.868 14.634 -0.989 1.00 26.24 C ATOM 360 CD1 PHE A 56 27.190 15.691 -0.138 1.00 26.76 C ATOM 361 CD2 PHE A 56 27.174 14.745 -2.319 1.00 26.17 C ATOM 362 CE1 PHE A 56 27.828 16.820 -0.614 1.00 27.72 C ATOM 363 CE2 PHE A 56 27.820 15.877 -2.802 1.00 27.75 C ATOM 364 CZ PHE A 56 28.094 16.937 -1.963 1.00 28.18 C ATOM 365 H PHE A 56 27.682 11.290 -1.686 1.00 0.00 H ATOM 366 N ARG A 57 25.972 11.090 1.823 1.00 26.53 N ATOM 367 CA ARG A 57 24.975 10.196 2.363 1.00 28.72 C ATOM 368 C ARG A 57 23.737 11.058 2.604 1.00 27.83 C ATOM 369 O ARG A 57 23.746 11.880 3.506 1.00 26.83 O ATOM 370 CB ARG A 57 25.499 9.580 3.627 1.00 32.42 C ATOM 371 CG ARG A 57 26.814 8.858 3.323 1.00 38.72 C ATOM 372 CD ARG A 57 27.482 8.286 4.527 1.00 43.86 C ATOM 373 NE ARG A 57 26.601 7.303 5.129 1.00 49.54 N ATOM 374 CZ ARG A 57 26.788 6.772 6.332 1.00 53.96 C ATOM 375 NH1 ARG A 57 27.844 7.116 7.078 1.00 56.25 N ATOM 376 NH2 ARG A 57 25.906 5.879 6.788 1.00 56.29 N ATOM 377 HE ARG A 57 25.771 6.995 4.584 1.00 0.00 H ATOM 378 HH12 ARG A 57 27.977 6.692 8.018 1.00 0.00 H ATOM 379 HH11 ARG A 57 28.532 7.808 6.718 1.00 0.00 H ATOM 380 HH22 ARG A 57 26.036 5.453 7.728 1.00 0.00 H ATOM 381 HH21 ARG A 57 25.089 5.610 6.203 1.00 0.00 H ATOM 382 H ARG A 57 26.518 11.687 2.477 1.00 0.00 H ATOM 383 N VAL A 58 22.737 10.892 1.741 1.00 27.02 N ATOM 384 CA VAL A 58 21.608 11.775 1.639 1.00 26.65 C ATOM 385 C VAL A 58 20.450 11.054 2.320 1.00 27.83 C ATOM 386 O VAL A 58 20.198 9.873 2.026 1.00 28.08 O ATOM 387 CB VAL A 58 21.294 12.094 0.185 1.00 26.91 C ATOM 388 CG1 VAL A 58 20.004 12.894 0.062 1.00 26.52 C ATOM 389 CG2 VAL A 58 22.430 12.921 -0.415 1.00 28.01 C ATOM 390 H VAL A 58 22.775 10.073 1.101 1.00 0.00 H ATOM 391 N TRP A 59 19.756 11.766 3.213 1.00 27.17 N ATOM 392 CA TRP A 59 18.505 11.285 3.792 1.00 27.15 C ATOM 393 C TRP A 59 17.377 12.102 3.203 1.00 25.65 C ATOM 394 O TRP A 59 17.441 13.345 3.195 1.00 24.14 O ATOM 395 CB TRP A 59 18.570 11.448 5.312 1.00 28.69 C ATOM 396 CG TRP A 59 19.357 10.374 6.004 1.00 32.39 C ATOM 397 CD1 TRP A 59 20.056 9.352 5.422 1.00 34.82 C ATOM 398 CD2 TRP A 59 19.540 10.228 7.395 1.00 34.40 C ATOM 399 NE1 TRP A 59 20.634 8.547 6.378 1.00 35.19 N ATOM 400 CE2 TRP A 59 20.300 9.051 7.602 1.00 34.97 C ATOM 401 CE3 TRP A 59 19.133 10.967 8.501 1.00 36.65 C ATOM 402 CZ2 TRP A 59 20.702 8.643 8.868 1.00 38.35 C ATOM 403 CZ3 TRP A 59 19.512 10.520 9.772 1.00 39.58 C ATOM 404 CH2 TRP A 59 20.294 9.384 9.936 1.00 38.43 C ATOM 405 HE1 TRP A 59 21.220 7.706 6.200 1.00 0.00 H ATOM 406 H TRP A 59 20.120 12.695 3.506 1.00 0.00 H ATOM 407 N CYS A 60 16.351 11.411 2.724 1.00 24.76 N ATOM 408 CA CYS A 60 15.202 12.064 2.130 1.00 26.42 C ATOM 409 C CYS A 60 14.183 12.391 3.229 1.00 25.93 C ATOM 410 O CYS A 60 13.864 11.546 4.084 1.00 25.39 O ATOM 411 CB CYS A 60 14.576 11.194 1.083 1.00 28.50 C ATOM 412 SG CYS A 60 15.736 10.881 -0.276 1.00 31.75 S ATOM 413 H CYS A 60 16.372 10.373 2.776 1.00 0.00 H ATOM 414 N PHE A 61 13.668 13.611 3.171 1.00 24.01 N ATOM 415 CA PHE A 61 12.662 14.089 4.090 1.00 24.15 C ATOM 416 C PHE A 61 11.494 14.646 3.277 1.00 23.70 C ATOM 417 O PHE A 61 11.689 15.302 2.233 1.00 23.35 O ATOM 418 CB PHE A 61 13.214 15.212 4.941 1.00 23.65 C ATOM 419 CG PHE A 61 14.235 14.781 5.953 1.00 24.51 C ATOM 420 CD1 PHE A 61 15.573 14.696 5.609 1.00 24.91 C ATOM 421 CD2 PHE A 61 13.882 14.508 7.267 1.00 24.05 C ATOM 422 CE1 PHE A 61 16.527 14.322 6.549 1.00 24.59 C ATOM 423 CE2 PHE A 61 14.801 14.122 8.205 1.00 25.25 C ATOM 424 CZ PHE A 61 16.147 14.052 7.849 1.00 25.43 C ATOM 425 H PHE A 61 14.005 14.255 2.427 1.00 0.00 H ATOM 426 N SER A 62 10.282 14.457 3.797 1.00 23.89 N ATOM 427 CA SER A 62 9.124 15.036 3.151 1.00 23.90 C ATOM 428 C SER A 62 9.081 16.545 3.368 1.00 24.19 C ATOM 429 O SER A 62 8.519 17.281 2.534 1.00 24.43 O ATOM 430 CB SER A 62 7.842 14.386 3.681 1.00 24.56 C ATOM 431 OG SER A 62 7.729 13.046 3.233 1.00 23.70 O ATOM 432 HG SER A 62 6.894 12.650 3.588 1.00 0.00 H ATOM 433 H SER A 62 10.169 13.895 4.665 1.00 0.00 H ATOM 434 N LEU A 63 9.634 17.000 4.489 1.00 23.41 N ATOM 435 CA LEU A 63 9.505 18.380 4.928 1.00 24.15 C ATOM 436 C LEU A 63 10.790 18.806 5.617 1.00 23.02 C ATOM 437 O LEU A 63 11.449 17.985 6.256 1.00 21.19 O ATOM 438 CB LEU A 63 8.345 18.469 5.922 1.00 25.16 C ATOM 439 CG LEU A 63 7.844 19.770 6.489 1.00 25.87 C ATOM 440 CD1 LEU A 63 7.502 20.684 5.361 1.00 27.14 C ATOM 441 CD2 LEU A 63 6.619 19.487 7.344 1.00 26.40 C ATOM 442 H LEU A 63 10.182 16.340 5.077 1.00 0.00 H ATOM 443 N ALA A 64 11.066 20.086 5.564 1.00 23.49 N ATOM 444 CA ALA A 64 12.167 20.681 6.335 1.00 22.95 C ATOM 445 C ALA A 64 11.874 22.138 6.451 1.00 24.09 C ATOM 446 O ALA A 64 11.026 22.672 5.744 1.00 24.65 O ATOM 447 CB ALA A 64 13.508 20.478 5.629 1.00 23.43 C ATOM 448 H ALA A 64 10.487 20.701 4.957 1.00 0.00 H ATOM 449 N GLN A 65 12.564 22.797 7.363 1.00 23.45 N ATOM 450 CA GLN A 65 12.383 24.230 7.601 1.00 23.38 C ATOM 451 C GLN A 65 13.741 24.813 7.888 1.00 22.16 C ATOM 452 O GLN A 65 14.728 24.069 8.043 1.00 21.96 O ATOM 453 CB GLN A 65 11.448 24.440 8.786 1.00 26.26 C ATOM 454 CG GLN A 65 11.913 23.776 10.076 1.00 30.37 C ATOM 455 CD GLN A 65 11.051 24.150 11.265 1.00 36.68 C ATOM 456 OE1 GLN A 65 11.245 25.205 11.856 1.00 41.14 O ATOM 457 NE2 GLN A 65 10.087 23.300 11.608 1.00 40.80 N ATOM 458 HE22 GLN A 65 9.960 22.415 11.076 1.00 0.00 H ATOM 459 HE21 GLN A 65 9.460 23.520 12.408 1.00 0.00 H ATOM 460 H GLN A 65 13.262 22.279 7.934 1.00 0.00 H ATOM 461 N GLY A 66 13.815 26.129 7.989 1.00 21.64 N ATOM 462 CA GLY A 66 15.062 26.773 8.409 1.00 21.70 C ATOM 463 C GLY A 66 16.151 26.806 7.353 1.00 21.50 C ATOM 464 O GLY A 66 17.269 27.205 7.631 1.00 21.52 O ATOM 465 H GLY A 66 12.982 26.711 7.769 1.00 0.00 H ATOM 466 N LEU A 67 15.826 26.413 6.123 1.00 22.29 N ATOM 467 CA LEU A 67 16.752 26.412 5.033 1.00 23.35 C ATOM 468 C LEU A 67 16.572 27.687 4.229 1.00 24.64 C ATOM 469 O LEU A 67 15.630 28.454 4.447 1.00 25.41 O ATOM 470 CB LEU A 67 16.488 25.208 4.112 1.00 23.15 C ATOM 471 CG LEU A 67 16.640 23.864 4.815 1.00 21.64 C ATOM 472 CD1 LEU A 67 15.920 22.780 4.025 1.00 22.96 C ATOM 473 CD2 LEU A 67 18.113 23.531 5.063 1.00 22.06 C ATOM 474 H LEU A 67 14.853 26.092 5.947 1.00 0.00 H ATOM 475 N ARG A 68 17.519 27.914 3.333 1.00 25.60 N ATOM 476 CA ARG A 68 17.423 28.910 2.285 1.00 27.31 C ATOM 477 C ARG A 68 17.724 28.225 0.954 1.00 27.41 C ATOM 478 O ARG A 68 18.822 27.709 0.748 1.00 25.79 O ATOM 479 CB ARG A 68 18.390 30.056 2.538 1.00 30.92 C ATOM 480 CG ARG A 68 18.300 31.140 1.462 1.00 35.78 C ATOM 481 CD ARG A 68 18.792 32.473 2.004 1.00 41.40 C ATOM 482 NE ARG A 68 20.248 32.456 2.115 1.00 44.69 N ATOM 483 CZ ARG A 68 21.098 32.754 1.127 1.00 51.12 C ATOM 484 NH1 ARG A 68 20.657 33.121 -0.089 1.00 52.77 N ATOM 485 NH2 ARG A 68 22.415 32.712 1.361 1.00 52.06 N ATOM 486 HE ARG A 68 20.656 32.191 3.034 1.00 0.00 H ATOM 487 HH12 ARG A 68 21.337 33.348 -0.842 1.00 0.00 H ATOM 488 HH11 ARG A 68 19.636 33.178 -0.276 1.00 0.00 H ATOM 489 HH22 ARG A 68 23.086 32.942 0.600 1.00 0.00 H ATOM 490 HH21 ARG A 68 22.768 32.450 2.304 1.00 0.00 H ATOM 491 H ARG A 68 18.386 27.342 3.384 1.00 0.00 H ATOM 492 N LEU A 69 16.733 28.213 0.065 1.00 28.07 N ATOM 493 CA LEU A 69 16.888 27.548 -1.222 1.00 30.04 C ATOM 494 C LEU A 69 17.405 28.571 -2.209 1.00 33.54 C ATOM 495 O LEU A 69 16.826 29.678 -2.309 1.00 35.76 O ATOM 496 CB LEU A 69 15.572 26.952 -1.678 1.00 30.64 C ATOM 497 CG LEU A 69 14.864 26.057 -0.653 1.00 30.45 C ATOM 498 CD1 LEU A 69 13.570 25.450 -1.211 1.00 33.48 C ATOM 499 CD2 LEU A 69 15.805 24.960 -0.214 1.00 31.28 C ATOM 500 H LEU A 69 15.835 28.685 0.293 1.00 0.00 H ATOM 501 N ILE A 70 18.502 28.253 -2.894 1.00 34.35 N ATOM 502 CA ILE A 70 19.221 29.248 -3.692 1.00 37.21 C ATOM 503 C ILE A 70 19.167 28.880 -5.163 1.00 40.78 C ATOM 504 O ILE A 70 19.349 27.715 -5.534 1.00 40.00 O ATOM 505 CB ILE A 70 20.669 29.503 -3.228 1.00 39.90 C ATOM 506 CG1 ILE A 70 21.501 28.248 -3.282 1.00 41.17 C ATOM 507 CG2 ILE A 70 20.634 30.087 -1.798 1.00 39.59 C ATOM 508 CD1 ILE A 70 22.972 28.483 -3.007 1.00 41.95 C ATOM 509 H ILE A 70 18.856 27.276 -2.861 1.00 0.00 H ATOM 510 N GLY A 71 18.887 29.881 -5.986 1.00 42.66 N ATOM 511 CA GLY A 71 18.972 29.723 -7.433 1.00 44.09 C ATOM 512 C GLY A 71 17.739 29.086 -7.997 1.00 42.28 C ATOM 513 O GLY A 71 16.739 28.921 -7.314 1.00 41.47 O ATOM 514 H GLY A 71 18.600 30.799 -5.591 1.00 0.00 H ATOM 515 N ALA A 72 17.815 28.739 -9.269 1.00 44.85 N ATOM 516 CA ALA A 72 16.673 28.162 -9.957 1.00 43.04 C ATOM 517 C ALA A 72 16.903 26.656 -10.048 1.00 39.54 C ATOM 518 O ALA A 72 18.048 26.208 -10.047 1.00 38.80 O ATOM 519 CB ALA A 72 16.529 28.774 -11.339 1.00 43.63 C ATOM 520 H ALA A 72 18.706 28.881 -9.786 1.00 0.00 H ATOM 521 N PRO A 73 15.822 25.876 -10.156 1.00 35.24 N ATOM 522 CA PRO A 73 15.979 24.424 -10.236 1.00 34.10 C ATOM 523 C PRO A 73 16.730 23.950 -11.461 1.00 32.61 C ATOM 524 O PRO A 73 16.662 24.581 -12.511 1.00 34.17 O ATOM 525 CB PRO A 73 14.542 23.888 -10.232 1.00 34.43 C ATOM 526 CG PRO A 73 13.682 25.032 -9.896 1.00 34.84 C ATOM 527 CD PRO A 73 14.411 26.279 -10.194 1.00 36.30 C ATOM 528 N SER A 74 17.464 22.859 -11.304 1.00 30.11 N ATOM 529 CA SER A 74 18.205 22.237 -12.382 1.00 29.56 C ATOM 530 C SER A 74 17.994 20.737 -12.398 1.00 28.54 C ATOM 531 O SER A 74 17.997 20.094 -11.357 1.00 27.50 O ATOM 532 CB SER A 74 19.706 22.526 -12.230 1.00 30.83 C ATOM 533 OG SER A 74 20.400 21.906 -13.318 1.00 32.83 O ATOM 534 HG SER A 74 21.370 22.084 -13.233 1.00 0.00 H ATOM 535 H SER A 74 17.511 22.427 -10.359 1.00 0.00 H ATOM 536 N GLY A 75 17.836 20.136 -13.568 1.00 27.29 N ATOM 537 CA GLY A 75 17.746 18.671 -13.696 1.00 27.76 C ATOM 538 C GLY A 75 19.132 18.035 -13.894 1.00 29.16 C ATOM 539 O GLY A 75 19.253 16.812 -13.881 1.00 28.71 O ATOM 540 H GLY A 75 17.773 20.719 -14.427 1.00 0.00 H ATOM 541 N GLU A 76 20.165 18.852 -14.060 1.00 30.92 N ATOM 542 CA GLU A 76 21.510 18.357 -14.430 1.00 34.37 C ATOM 543 C GLU A 76 22.058 17.435 -13.349 1.00 31.67 C ATOM 544 O GLU A 76 22.099 17.811 -12.194 1.00 29.62 O ATOM 545 CB GLU A 76 22.486 19.504 -14.669 1.00 38.55 C ATOM 546 CG GLU A 76 22.069 20.391 -15.850 1.00 45.07 C ATOM 547 CD GLU A 76 23.055 21.479 -16.222 1.00 52.21 C ATOM 548 OE1 GLU A 76 23.958 21.789 -15.409 1.00 60.58 O ATOM 549 OE2 GLU A 76 22.908 22.027 -17.349 1.00 57.67 O ATOM 550 H GLU A 76 20.025 19.874 -13.926 1.00 0.00 H ATOM 551 N PHE A 77 22.412 16.222 -13.745 1.00 31.73 N ATOM 552 CA PHE A 77 22.952 15.201 -12.855 1.00 32.22 C ATOM 553 C PHE A 77 22.061 14.849 -11.661 1.00 30.75 C ATOM 554 O PHE A 77 22.558 14.384 -10.663 1.00 27.85 O ATOM 555 CB PHE A 77 24.346 15.648 -12.334 1.00 35.80 C ATOM 556 CG PHE A 77 25.266 16.109 -13.417 1.00 40.08 C ATOM 557 CD1 PHE A 77 25.818 15.190 -14.307 1.00 42.50 C ATOM 558 CD2 PHE A 77 25.552 17.457 -13.572 1.00 42.44 C ATOM 559 CE1 PHE A 77 26.680 15.610 -15.310 1.00 44.07 C ATOM 560 CE2 PHE A 77 26.411 17.892 -14.580 1.00 44.05 C ATOM 561 CZ PHE A 77 26.977 16.963 -15.445 1.00 44.40 C ATOM 562 H PHE A 77 22.298 15.983 -14.751 1.00 0.00 H ATOM 563 N SER A 78 20.752 15.023 -11.772 1.00 28.68 N ATOM 564 CA SER A 78 19.870 14.727 -10.670 1.00 28.60 C ATOM 565 C SER A 78 19.949 13.262 -10.299 1.00 28.53 C ATOM 566 O SER A 78 19.900 12.386 -11.136 1.00 30.52 O ATOM 567 CB SER A 78 18.412 15.080 -10.965 1.00 28.61 C ATOM 568 OG SER A 78 17.642 14.800 -9.803 1.00 28.27 O ATOM 569 HG SER A 78 16.693 15.023 -9.976 1.00 0.00 H ATOM 570 H SER A 78 20.355 15.378 -12.666 1.00 0.00 H ATOM 571 N TRP A 79 20.080 13.011 -9.008 1.00 27.15 N ATOM 572 CA TRP A 79 20.155 11.671 -8.476 1.00 28.14 C ATOM 573 C TRP A 79 18.777 11.025 -8.384 1.00 30.43 C ATOM 574 O TRP A 79 18.689 9.818 -8.098 1.00 30.67 O ATOM 575 CB TRP A 79 20.748 11.690 -7.073 1.00 28.09 C ATOM 576 CG TRP A 79 22.155 12.153 -7.023 1.00 25.65 C ATOM 577 CD1 TRP A 79 23.193 11.722 -7.800 1.00 26.58 C ATOM 578 CD2 TRP A 79 22.706 13.082 -6.102 1.00 24.79 C ATOM 579 NE1 TRP A 79 24.336 12.363 -7.458 1.00 25.27 N ATOM 580 CE2 TRP A 79 24.083 13.189 -6.396 1.00 24.64 C ATOM 581 CE3 TRP A 79 22.180 13.845 -5.065 1.00 24.28 C ATOM 582 CZ2 TRP A 79 24.930 14.023 -5.682 1.00 24.19 C ATOM 583 CZ3 TRP A 79 23.029 14.654 -4.354 1.00 24.24 C ATOM 584 CH2 TRP A 79 24.380 14.763 -4.683 1.00 23.74 C ATOM 585 HE1 TRP A 79 25.257 12.247 -7.927 1.00 0.00 H ATOM 586 H TRP A 79 20.131 13.813 -8.347 1.00 0.00 H ATOM 587 N PHE A 80 17.700 11.794 -8.576 1.00 27.98 N ATOM 588 CA PHE A 80 16.364 11.260 -8.420 1.00 29.38 C ATOM 589 C PHE A 80 15.595 11.523 -9.705 1.00 29.88 C ATOM 590 O PHE A 80 15.382 12.678 -10.099 1.00 29.40 O ATOM 591 CB PHE A 80 15.684 11.866 -7.199 1.00 29.14 C ATOM 592 CG PHE A 80 16.428 11.615 -5.913 1.00 30.23 C ATOM 593 CD1 PHE A 80 16.193 10.470 -5.184 1.00 31.71 C ATOM 594 CD2 PHE A 80 17.322 12.541 -5.421 1.00 29.91 C ATOM 595 CE1 PHE A 80 16.844 10.237 -3.984 1.00 32.42 C ATOM 596 CE2 PHE A 80 18.007 12.309 -4.208 1.00 30.25 C ATOM 597 CZ PHE A 80 17.759 11.155 -3.486 1.00 31.25 C ATOM 598 H PHE A 80 17.824 12.792 -8.842 1.00 0.00 H ATOM 599 N LYS A 81 15.235 10.426 -10.362 1.00 31.66 N ATOM 600 CA LYS A 81 14.597 10.463 -11.673 1.00 34.25 C ATOM 601 C LYS A 81 13.347 11.313 -11.645 1.00 31.31 C ATOM 602 O LYS A 81 12.478 11.103 -10.807 1.00 32.19 O ATOM 603 CB LYS A 81 14.231 9.028 -12.111 1.00 39.04 C ATOM 604 CG LYS A 81 13.690 8.914 -13.531 1.00 44.24 C ATOM 605 CD LYS A 81 14.798 9.027 -14.565 1.00 48.74 C ATOM 606 CE LYS A 81 14.284 8.542 -15.911 1.00 51.56 C ATOM 607 NZ LYS A 81 15.416 8.499 -16.854 1.00 54.40 N ATOM 608 HZ1 LYS A 81 15.822 9.452 -16.950 1.00 0.00 H ATOM 609 HZ2 LYS A 81 16.141 7.847 -16.494 1.00 0.00 H ATOM 610 HZ3 LYS A 81 15.081 8.169 -17.781 1.00 0.00 H ATOM 611 H LYS A 81 15.416 9.501 -9.923 1.00 0.00 H ATOM 612 N GLY A 82 13.253 12.268 -12.554 1.00 30.12 N ATOM 613 CA GLY A 82 12.064 13.137 -12.617 1.00 30.19 C ATOM 614 C GLY A 82 12.143 14.421 -11.810 1.00 29.04 C ATOM 615 O GLY A 82 11.280 15.268 -11.967 1.00 29.36 O ATOM 616 H GLY A 82 14.028 12.408 -13.233 1.00 0.00 H ATOM 617 N TYR A 83 13.177 14.597 -10.981 1.00 27.17 N ATOM 618 CA TYR A 83 13.269 15.788 -10.120 1.00 26.37 C ATOM 619 C TYR A 83 14.393 16.709 -10.472 1.00 25.96 C ATOM 620 O TYR A 83 15.480 16.265 -10.862 1.00 26.26 O ATOM 621 CB TYR A 83 13.435 15.414 -8.661 1.00 26.04 C ATOM 622 CG TYR A 83 12.331 14.619 -8.106 1.00 26.35 C ATOM 623 CD1 TYR A 83 12.367 13.238 -8.157 1.00 26.20 C ATOM 624 CD2 TYR A 83 11.256 15.226 -7.488 1.00 25.85 C ATOM 625 CE1 TYR A 83 11.356 12.466 -7.596 1.00 26.65 C ATOM 626 CE2 TYR A 83 10.235 14.476 -6.973 1.00 25.86 C ATOM 627 CZ TYR A 83 10.295 13.090 -7.018 1.00 26.79 C ATOM 628 OH TYR A 83 9.302 12.341 -6.472 1.00 28.52 O ATOM 629 HH TYR A 83 8.445 12.555 -6.919 1.00 0.00 H ATOM 630 H TYR A 83 13.930 13.880 -10.944 1.00 0.00 H ATOM 631 N ASP A 84 14.096 17.996 -10.348 1.00 24.70 N ATOM 632 CA ASP A 84 15.050 19.066 -10.506 1.00 26.06 C ATOM 633 C ASP A 84 15.421 19.491 -9.099 1.00 25.14 C ATOM 634 O ASP A 84 14.590 19.439 -8.176 1.00 27.18 O ATOM 635 CB ASP A 84 14.409 20.214 -11.267 1.00 27.01 C ATOM 636 CG ASP A 84 13.855 19.749 -12.607 1.00 28.55 C ATOM 637 OD1 ASP A 84 14.615 19.103 -13.306 1.00 29.71 O ATOM 638 OD2 ASP A 84 12.642 19.946 -12.893 1.00 32.14 O ATOM 639 H ASP A 84 13.113 18.249 -10.123 1.00 0.00 H ATOM 640 N TRP A 85 16.648 19.937 -8.919 1.00 24.97 N ATOM 641 CA TRP A 85 17.113 20.295 -7.591 1.00 24.33 C ATOM 642 C TRP A 85 17.498 21.731 -7.492 1.00 26.02 C ATOM 643 O TRP A 85 17.882 22.381 -8.478 1.00 25.62 O ATOM 644 CB TRP A 85 18.284 19.409 -7.164 1.00 25.74 C ATOM 645 CG TRP A 85 19.428 19.301 -8.171 1.00 26.10 C ATOM 646 CD1 TRP A 85 19.579 18.336 -9.153 1.00 26.81 C ATOM 647 CD2 TRP A 85 20.528 20.201 -8.317 1.00 28.29 C ATOM 648 NE1 TRP A 85 20.735 18.572 -9.854 1.00 27.58 N ATOM 649 CE2 TRP A 85 21.327 19.712 -9.376 1.00 29.05 C ATOM 650 CE3 TRP A 85 20.913 21.371 -7.666 1.00 28.49 C ATOM 651 CZ2 TRP A 85 22.506 20.353 -9.793 1.00 30.32 C ATOM 652 CZ3 TRP A 85 22.094 22.004 -8.067 1.00 30.73 C ATOM 653 CH2 TRP A 85 22.878 21.485 -9.143 1.00 31.10 C ATOM 654 HE1 TRP A 85 21.103 17.980 -10.625 1.00 0.00 H ATOM 655 H TRP A 85 17.287 20.033 -9.734 1.00 0.00 H ATOM 656 N THR A 86 17.385 22.228 -6.264 1.00 25.30 N ATOM 657 CA THR A 86 17.913 23.530 -5.891 1.00 25.09 C ATOM 658 C THR A 86 18.762 23.292 -4.649 1.00 25.56 C ATOM 659 O THR A 86 18.404 22.481 -3.806 1.00 25.29 O ATOM 660 CB THR A 86 16.811 24.561 -5.589 1.00 24.82 C ATOM 661 OG1 THR A 86 16.101 24.205 -4.403 1.00 25.25 O ATOM 662 CG2 THR A 86 15.824 24.700 -6.765 1.00 23.53 C ATOM 663 HG1 THR A 86 16.730 24.175 -3.639 1.00 0.00 H ATOM 664 H THR A 86 16.899 21.662 -5.540 1.00 0.00 H ATOM 665 N ILE A 87 19.884 23.988 -4.569 1.00 24.77 N ATOM 666 CA ILE A 87 20.743 23.899 -3.394 1.00 25.23 C ATOM 667 C ILE A 87 19.998 24.457 -2.161 1.00 23.92 C ATOM 668 O ILE A 87 19.347 25.520 -2.203 1.00 25.56 O ATOM 669 CB ILE A 87 22.041 24.669 -3.657 1.00 27.37 C ATOM 670 CG1 ILE A 87 22.919 23.801 -4.579 1.00 28.96 C ATOM 671 CG2 ILE A 87 22.781 24.980 -2.373 1.00 27.76 C ATOM 672 CD1 ILE A 87 24.098 24.513 -5.179 1.00 32.44 C ATOM 673 H ILE A 87 20.158 24.609 -5.357 1.00 0.00 H ATOM 674 N ALA A 88 20.113 23.730 -1.051 1.00 22.91 N ATOM 675 CA ALA A 88 19.510 24.163 0.203 1.00 22.57 C ATOM 676 C ALA A 88 20.634 24.444 1.192 1.00 21.47 C ATOM 677 O ALA A 88 21.415 23.542 1.535 1.00 20.82 O ATOM 678 CB ALA A 88 18.593 23.076 0.756 1.00 21.90 C ATOM 679 H ALA A 88 20.643 22.836 -1.080 1.00 0.00 H ATOM 680 N LEU A 89 20.705 25.693 1.637 1.00 21.63 N ATOM 681 CA LEU A 89 21.625 26.100 2.666 1.00 21.44 C ATOM 682 C LEU A 89 20.887 26.224 3.980 1.00 21.02 C ATOM 683 O LEU A 89 19.675 26.446 4.009 1.00 20.94 O ATOM 684 CB LEU A 89 22.249 27.460 2.333 1.00 22.39 C ATOM 685 CG LEU A 89 22.898 27.628 0.960 1.00 23.12 C ATOM 686 CD1 LEU A 89 23.399 29.066 0.922 1.00 25.27 C ATOM 687 CD2 LEU A 89 23.993 26.605 0.767 1.00 23.12 C ATOM 688 H LEU A 89 20.070 26.406 1.225 1.00 0.00 H ATOM 689 N CYS A 90 21.635 26.074 5.063 1.00 20.67 N ATOM 690 CA CYS A 90 21.122 26.476 6.369 1.00 20.78 C ATOM 691 C CYS A 90 20.809 27.947 6.260 1.00 21.49 C ATOM 692 O CYS A 90 21.681 28.770 5.873 1.00 21.10 O ATOM 693 CB CYS A 90 22.165 26.244 7.458 1.00 21.21 C ATOM 694 SG CYS A 90 21.641 26.828 9.045 1.00 21.34 S ATOM 695 H CYS A 90 22.590 25.669 4.983 1.00 0.00 H ATOM 696 N GLY A 91 19.568 28.298 6.594 1.00 21.46 N ATOM 697 CA GLY A 91 19.149 29.696 6.524 1.00 22.65 C ATOM 698 C GLY A 91 19.851 30.593 7.518 1.00 23.58 C ATOM 699 O GLY A 91 19.846 31.826 7.384 1.00 24.28 O ATOM 700 H GLY A 91 18.893 27.572 6.907 1.00 0.00 H ATOM 701 N GLN A 92 20.390 29.996 8.564 1.00 23.24 N ATOM 702 CA GLN A 92 21.053 30.741 9.599 1.00 23.80 C ATOM 703 C GLN A 92 22.536 30.952 9.263 1.00 24.16 C ATOM 704 O GLN A 92 22.988 32.091 9.198 1.00 24.55 O ATOM 705 CB GLN A 92 20.840 30.064 10.951 1.00 23.87 C ATOM 706 CG GLN A 92 21.506 30.751 12.145 1.00 23.94 C ATOM 707 CD GLN A 92 20.846 30.350 13.453 1.00 23.41 C ATOM 708 OE1 GLN A 92 19.914 31.045 13.919 1.00 23.76 O ATOM 709 NE2 GLN A 92 21.290 29.249 14.051 1.00 22.29 N ATOM 710 HE22 GLN A 92 22.067 28.704 13.626 1.00 0.00 H ATOM 711 HE21 GLN A 92 20.860 28.933 14.944 1.00 0.00 H ATOM 712 H GLN A 92 20.334 28.960 8.641 1.00 0.00 H ATOM 713 N CYS A 93 23.284 29.867 9.022 1.00 23.63 N ATOM 714 CA CYS A 93 24.753 29.965 8.877 1.00 24.14 C ATOM 715 C CYS A 93 25.277 29.807 7.455 1.00 24.40 C ATOM 716 O CYS A 93 26.468 30.009 7.219 1.00 25.55 O ATOM 717 CB CYS A 93 25.466 29.002 9.807 1.00 24.33 C ATOM 718 SG CYS A 93 25.429 27.280 9.253 1.00 23.49 S ATOM 719 H CYS A 93 22.823 28.939 8.935 1.00 0.00 H ATOM 720 N GLY A 94 24.425 29.400 6.518 1.00 23.38 N ATOM 721 CA GLY A 94 24.842 29.257 5.141 1.00 24.18 C ATOM 722 C GLY A 94 25.519 27.934 4.803 1.00 24.81 C ATOM 723 O GLY A 94 25.888 27.732 3.661 1.00 25.49 O ATOM 724 H GLY A 94 23.443 29.181 6.780 1.00 0.00 H ATOM 725 N SER A 95 25.654 27.012 5.763 1.00 23.70 N ATOM 726 CA SER A 95 26.210 25.683 5.500 1.00 24.77 C ATOM 727 C SER A 95 25.356 24.975 4.451 1.00 23.82 C ATOM 728 O SER A 95 24.132 25.057 4.448 1.00 22.72 O ATOM 729 CB SER A 95 26.292 24.869 6.818 1.00 26.86 C ATOM 730 OG SER A 95 26.640 23.499 6.634 1.00 30.26 O ATOM 731 HG SER A 95 26.673 23.047 7.514 1.00 0.00 H ATOM 732 H SER A 95 25.353 27.247 6.730 1.00 0.00 H ATOM 733 N HIS A 96 26.000 24.304 3.522 1.00 23.06 N ATOM 734 CA HIS A 96 25.278 23.527 2.552 1.00 23.13 C ATOM 735 C HIS A 96 24.701 22.266 3.193 1.00 22.08 C ATOM 736 O HIS A 96 25.441 21.349 3.537 1.00 23.13 O ATOM 737 CB HIS A 96 26.195 23.191 1.378 1.00 24.88 C ATOM 738 CG HIS A 96 25.532 22.362 0.346 1.00 26.59 C ATOM 739 ND1 HIS A 96 26.182 21.352 -0.333 1.00 29.30 N ATOM 740 CD2 HIS A 96 24.242 22.340 -0.073 1.00 25.88 C ATOM 741 CE1 HIS A 96 25.322 20.767 -1.145 1.00 29.24 C ATOM 742 NE2 HIS A 96 24.152 21.368 -1.031 1.00 28.32 N ATOM 743 H HIS A 96 27.039 24.336 3.489 1.00 0.00 H ATOM 744 N LEU A 97 23.386 22.214 3.365 1.00 20.84 N ATOM 745 CA LEU A 97 22.770 21.066 4.017 1.00 20.66 C ATOM 746 C LEU A 97 22.163 20.023 3.093 1.00 20.20 C ATOM 747 O LEU A 97 21.850 18.941 3.533 1.00 21.13 O ATOM 748 CB LEU A 97 21.693 21.505 5.038 1.00 21.54 C ATOM 749 CG LEU A 97 22.219 22.354 6.191 1.00 22.74 C ATOM 750 CD1 LEU A 97 21.105 22.590 7.197 1.00 22.86 C ATOM 751 CD2 LEU A 97 23.442 21.770 6.851 1.00 23.82 C ATOM 752 H LEU A 97 22.791 22.999 3.032 1.00 0.00 H ATOM 753 N GLY A 98 21.947 20.370 1.829 1.00 21.13 N ATOM 754 CA GLY A 98 21.434 19.433 0.876 1.00 22.09 C ATOM 755 C GLY A 98 20.734 20.128 -0.262 1.00 20.74 C ATOM 756 O GLY A 98 21.219 21.134 -0.787 1.00 21.52 O ATOM 757 H GLY A 98 22.155 21.343 1.525 1.00 0.00 H ATOM 758 N TRP A 99 19.612 19.574 -0.660 1.00 21.79 N ATOM 759 CA TRP A 99 18.885 20.026 -1.842 1.00 21.90 C ATOM 760 C TRP A 99 17.395 19.932 -1.602 1.00 22.33 C ATOM 761 O TRP A 99 16.938 19.055 -0.887 1.00 22.26 O ATOM 762 CB TRP A 99 19.234 19.146 -3.056 1.00 23.28 C ATOM 763 CG TRP A 99 20.675 19.149 -3.381 1.00 23.29 C ATOM 764 CD1 TRP A 99 21.311 19.997 -4.240 1.00 24.07 C ATOM 765 CD2 TRP A 99 21.684 18.339 -2.787 1.00 23.11 C ATOM 766 NE1 TRP A 99 22.645 19.711 -4.258 1.00 24.90 N ATOM 767 CE2 TRP A 99 22.905 18.710 -3.362 1.00 23.64 C ATOM 768 CE3 TRP A 99 21.676 17.325 -1.826 1.00 23.25 C ATOM 769 CZ2 TRP A 99 24.103 18.125 -3.001 1.00 25.16 C ATOM 770 CZ3 TRP A 99 22.905 16.749 -1.449 1.00 24.39 C ATOM 771 CH2 TRP A 99 24.090 17.155 -2.035 1.00 23.49 C ATOM 772 HE1 TRP A 99 23.353 20.180 -4.858 1.00 0.00 H ATOM 773 H TRP A 99 19.225 18.780 -0.110 1.00 0.00 H ATOM 774 N HIS A 100 16.649 20.819 -2.265 1.00 22.07 N ATOM 775 CA HIS A 100 15.208 20.660 -2.402 1.00 22.84 C ATOM 776 C HIS A 100 14.952 20.123 -3.828 1.00 22.62 C ATOM 777 O HIS A 100 15.541 20.624 -4.808 1.00 25.09 O ATOM 778 CB HIS A 100 14.481 21.959 -2.177 1.00 23.65 C ATOM 779 CG HIS A 100 12.991 21.809 -2.199 1.00 25.30 C ATOM 780 ND1 HIS A 100 12.200 22.430 -3.148 1.00 29.01 N ATOM 781 CD2 HIS A 100 12.156 21.095 -1.409 1.00 26.82 C ATOM 782 CE1 HIS A 100 10.927 22.123 -2.914 1.00 28.40 C ATOM 783 NE2 HIS A 100 10.878 21.321 -1.862 1.00 27.85 N ATOM 784 H HIS A 100 17.110 21.646 -2.695 1.00 0.00 H ATOM 785 N TYR A 101 14.113 19.113 -3.898 1.00 22.24 N ATOM 786 CA TYR A 101 13.774 18.492 -5.178 1.00 22.95 C ATOM 787 C TYR A 101 12.362 18.868 -5.529 1.00 23.86 C ATOM 788 O TYR A 101 11.508 18.897 -4.659 1.00 23.28 O ATOM 789 CB TYR A 101 13.943 16.988 -5.087 1.00 22.20 C ATOM 790 CG TYR A 101 15.413 16.623 -5.048 1.00 22.61 C ATOM 791 CD1 TYR A 101 16.142 16.465 -6.225 1.00 22.33 C ATOM 792 CD2 TYR A 101 16.081 16.463 -3.848 1.00 22.65 C ATOM 793 CE1 TYR A 101 17.478 16.104 -6.215 1.00 22.21 C ATOM 794 CE2 TYR A 101 17.415 16.108 -3.818 1.00 22.57 C ATOM 795 CZ TYR A 101 18.128 15.976 -5.002 1.00 23.07 C ATOM 796 OH TYR A 101 19.488 15.665 -4.970 1.00 22.56 O ATOM 797 HH TYR A 101 19.835 15.610 -5.896 1.00 0.00 H ATOM 798 H TYR A 101 13.681 18.748 -3.025 1.00 0.00 H ATOM 799 N GLU A 102 12.125 19.192 -6.792 1.00 24.58 N ATOM 800 CA GLU A 102 10.770 19.570 -7.253 1.00 26.35 C ATOM 801 C GLU A 102 10.589 19.139 -8.695 1.00 25.20 C ATOM 802 O GLU A 102 11.531 18.629 -9.328 1.00 24.89 O ATOM 803 CB GLU A 102 10.529 21.074 -7.136 1.00 31.04 C ATOM 804 CG GLU A 102 11.460 21.953 -7.952 1.00 34.63 C ATOM 805 CD GLU A 102 11.304 23.445 -7.566 1.00 41.13 C ATOM 806 OE1 GLU A 102 10.294 24.045 -7.972 1.00 45.16 O ATOM 807 OE2 GLU A 102 12.208 24.031 -6.890 1.00 48.27 O ATOM 808 H GLU A 102 12.909 19.180 -7.475 1.00 0.00 H ATOM 809 N GLY A 103 9.362 19.256 -9.196 1.00 24.54 N ATOM 810 CA GLY A 103 9.096 19.025 -10.611 1.00 25.18 C ATOM 811 C GLY A 103 8.801 17.587 -10.968 1.00 26.08 C ATOM 812 O GLY A 103 8.686 17.287 -12.158 1.00 26.75 O ATOM 813 H GLY A 103 8.577 19.517 -8.566 1.00 0.00 H ATOM 814 N GLY A 104 8.758 16.720 -9.981 1.00 25.96 N ATOM 815 CA GLY A 104 8.519 15.332 -10.215 1.00 27.45 C ATOM 816 C GLY A 104 7.127 14.902 -9.855 1.00 28.64 C ATOM 817 O GLY A 104 6.214 15.649 -9.915 1.00 28.69 O ATOM 818 H GLY A 104 8.902 17.053 -9.006 1.00 0.00 H ATOM 819 N SER A 105 6.995 13.642 -9.490 1.00 32.26 N ATOM 820 CA SER A 105 5.710 13.052 -9.161 1.00 32.72 C ATOM 821 C SER A 105 5.769 12.046 -8.046 1.00 34.55 C ATOM 822 O SER A 105 6.690 11.290 -7.941 1.00 32.58 O ATOM 823 CB SER A 105 5.153 12.315 -10.365 1.00 35.79 C ATOM 824 OG SER A 105 5.217 13.074 -11.491 1.00 35.45 O ATOM 825 HG SER A 105 6.161 13.308 -11.677 1.00 0.00 H ATOM 826 H SER A 105 7.846 13.047 -9.436 1.00 0.00 H ATOM 827 N GLN A 106 4.749 12.083 -7.225 1.00 36.07 N ATOM 828 CA GLN A 106 4.610 11.174 -6.125 1.00 39.26 C ATOM 829 C GLN A 106 5.864 10.979 -5.253 1.00 38.44 C ATOM 830 O GLN A 106 6.399 9.900 -5.195 1.00 37.81 O ATOM 831 CB GLN A 106 4.113 9.843 -6.688 1.00 45.16 C ATOM 832 CG GLN A 106 2.597 9.708 -6.855 1.00 52.26 C ATOM 833 CD GLN A 106 2.009 9.987 -8.250 1.00 56.32 C ATOM 834 OE1 GLN A 106 2.192 11.056 -8.780 1.00 61.36 O ATOM 835 NE2 GLN A 106 1.200 9.045 -8.781 1.00 58.63 N ATOM 836 HE22 GLN A 106 1.069 8.136 -8.292 1.00 0.00 H ATOM 837 HE21 GLN A 106 0.708 9.228 -9.679 1.00 0.00 H ATOM 838 H GLN A 106 4.011 12.800 -7.377 1.00 0.00 H ATOM 839 N PRO A 107 6.309 12.030 -4.552 1.00 34.48 N ATOM 840 CA PRO A 107 5.684 13.341 -4.403 1.00 32.41 C ATOM 841 C PRO A 107 6.233 14.327 -5.408 1.00 30.38 C ATOM 842 O PRO A 107 7.218 14.072 -6.019 1.00 29.58 O ATOM 843 CB PRO A 107 6.123 13.756 -3.027 1.00 33.19 C ATOM 844 CG PRO A 107 7.471 13.165 -2.907 1.00 34.18 C ATOM 845 CD PRO A 107 7.409 11.848 -3.599 1.00 35.29 C ATOM 846 N GLN A 108 5.567 15.436 -5.596 1.00 27.87 N ATOM 847 CA GLN A 108 6.080 16.492 -6.490 1.00 27.65 C ATOM 848 C GLN A 108 7.441 17.050 -6.004 1.00 26.52 C ATOM 849 O GLN A 108 8.283 17.379 -6.803 1.00 25.59 O ATOM 850 CB GLN A 108 5.088 17.641 -6.585 1.00 28.90 C ATOM 851 CG GLN A 108 3.837 17.250 -7.344 1.00 29.55 C ATOM 852 CD GLN A 108 2.864 18.411 -7.465 1.00 31.65 C ATOM 853 OE1 GLN A 108 2.545 19.067 -6.461 1.00 32.05 O ATOM 854 NE2 GLN A 108 2.359 18.662 -8.681 1.00 31.35 N ATOM 855 HE22 GLN A 108 2.654 18.087 -9.496 1.00 0.00 H ATOM 856 HE21 GLN A 108 1.672 19.432 -8.810 1.00 0.00 H ATOM 857 H GLN A 108 4.660 15.576 -5.107 1.00 0.00 H ATOM 858 N THR A 109 7.576 17.180 -4.690 1.00 26.62 N ATOM 859 CA THR A 109 8.709 17.798 -4.044 1.00 26.50 C ATOM 860 C THR A 109 9.135 17.021 -2.784 1.00 26.89 C ATOM 861 O THR A 109 8.335 16.360 -2.161 1.00 27.79 O ATOM 862 CB THR A 109 8.410 19.243 -3.572 1.00 27.07 C ATOM 863 OG1 THR A 109 7.490 19.188 -2.484 1.00 26.72 O ATOM 864 CG2 THR A 109 7.815 20.089 -4.656 1.00 27.97 C ATOM 865 HG1 THR A 109 6.653 18.752 -2.783 1.00 0.00 H ATOM 866 H THR A 109 6.814 16.812 -4.085 1.00 0.00 H ATOM 867 N PHE A 110 10.409 17.150 -2.412 1.00 25.58 N ATOM 868 CA PHE A 110 10.934 16.610 -1.131 1.00 24.10 C ATOM 869 C PHE A 110 12.324 17.212 -0.887 1.00 22.87 C ATOM 870 O PHE A 110 12.841 17.919 -1.758 1.00 23.73 O ATOM 871 CB PHE A 110 11.012 15.077 -1.157 1.00 25.19 C ATOM 872 CG PHE A 110 12.067 14.519 -2.103 1.00 24.94 C ATOM 873 CD1 PHE A 110 11.783 14.339 -3.438 1.00 25.25 C ATOM 874 CD2 PHE A 110 13.312 14.110 -1.635 1.00 25.40 C ATOM 875 CE1 PHE A 110 12.744 13.812 -4.313 1.00 25.77 C ATOM 876 CE2 PHE A 110 14.280 13.591 -2.500 1.00 24.81 C ATOM 877 CZ PHE A 110 14.007 13.423 -3.861 1.00 25.12 C ATOM 878 H PHE A 110 11.064 17.650 -3.046 1.00 0.00 H ATOM 879 N PHE A 111 12.928 16.920 0.261 1.00 22.11 N ATOM 880 CA PHE A 111 14.271 17.430 0.565 1.00 22.26 C ATOM 881 C PHE A 111 15.233 16.259 0.672 1.00 22.59 C ATOM 882 O PHE A 111 14.894 15.223 1.249 1.00 23.07 O ATOM 883 CB PHE A 111 14.274 18.140 1.893 1.00 22.72 C ATOM 884 CG PHE A 111 13.504 19.417 1.908 1.00 23.37 C ATOM 885 CD1 PHE A 111 12.139 19.407 2.152 1.00 24.46 C ATOM 886 CD2 PHE A 111 14.139 20.613 1.681 1.00 23.94 C ATOM 887 CE1 PHE A 111 11.413 20.595 2.156 1.00 25.42 C ATOM 888 CE2 PHE A 111 13.434 21.807 1.687 1.00 25.25 C ATOM 889 CZ PHE A 111 12.059 21.798 1.929 1.00 24.94 C ATOM 890 H PHE A 111 12.440 16.320 0.956 1.00 0.00 H ATOM 891 N GLY A 112 16.429 16.407 0.109 1.00 21.64 N ATOM 892 CA GLY A 112 17.491 15.441 0.315 1.00 21.50 C ATOM 893 C GLY A 112 18.566 16.120 1.139 1.00 21.63 C ATOM 894 O GLY A 112 19.195 17.052 0.654 1.00 22.50 O ATOM 895 H GLY A 112 16.607 17.236 -0.494 1.00 0.00 H ATOM 896 N LEU A 113 18.721 15.712 2.396 1.00 20.24 N ATOM 897 CA LEU A 113 19.640 16.390 3.297 1.00 21.56 C ATOM 898 C LEU A 113 20.866 15.514 3.563 1.00 21.53 C ATOM 899 O LEU A 113 20.762 14.293 3.636 1.00 23.32 O ATOM 900 CB LEU A 113 18.962 16.810 4.603 1.00 21.09 C ATOM 901 CG LEU A 113 17.761 17.744 4.389 1.00 22.56 C ATOM 902 CD1 LEU A 113 17.162 18.158 5.714 1.00 23.36 C ATOM 903 CD2 LEU A 113 18.121 18.973 3.578 1.00 23.21 C ATOM 904 H LEU A 113 18.176 14.895 2.740 1.00 0.00 H ATOM 905 N ILE A 114 21.996 16.168 3.707 1.00 21.16 N ATOM 906 CA ILE A 114 23.269 15.492 3.949 1.00 21.91 C ATOM 907 C ILE A 114 23.365 15.105 5.436 1.00 22.35 C ATOM 908 O ILE A 114 23.453 15.974 6.328 1.00 20.52 O ATOM 909 CB ILE A 114 24.445 16.383 3.518 1.00 22.17 C ATOM 910 CG1 ILE A 114 24.315 16.756 2.048 1.00 22.33 C ATOM 911 CG2 ILE A 114 25.761 15.687 3.798 1.00 23.89 C ATOM 912 CD1 ILE A 114 25.066 18.018 1.635 1.00 23.94 C ATOM 913 H ILE A 114 21.984 17.206 3.647 1.00 0.00 H ATOM 914 N LYS A 115 23.297 13.813 5.705 1.00 22.88 N ATOM 915 CA LYS A 115 23.153 13.320 7.080 1.00 26.13 C ATOM 916 C LYS A 115 24.229 13.861 8.050 1.00 26.09 C ATOM 917 O LYS A 115 23.951 14.226 9.166 1.00 25.65 O ATOM 918 CB LYS A 115 23.121 11.759 7.102 1.00 31.32 C ATOM 919 CG LYS A 115 23.612 11.063 8.359 1.00 36.36 C ATOM 920 CD LYS A 115 24.007 9.621 8.113 1.00 39.68 C ATOM 921 CE LYS A 115 24.188 8.927 9.456 1.00 42.74 C ATOM 922 NZ LYS A 115 24.290 7.439 9.338 1.00 43.66 N ATOM 923 HZ1 LYS A 115 23.421 7.066 8.904 1.00 0.00 H ATOM 924 HZ2 LYS A 115 25.108 7.195 8.744 1.00 0.00 H ATOM 925 HZ3 LYS A 115 24.412 7.025 10.284 1.00 0.00 H ATOM 926 H LYS A 115 23.347 13.129 4.923 1.00 0.00 H ATOM 927 N ASP A 116 25.460 13.872 7.620 1.00 27.66 N ATOM 928 CA ASP A 116 26.540 14.240 8.540 1.00 30.59 C ATOM 929 C ASP A 116 26.654 15.758 8.725 1.00 30.96 C ATOM 930 O ASP A 116 27.473 16.183 9.545 1.00 32.55 O ATOM 931 CB ASP A 116 27.888 13.627 8.139 1.00 33.39 C ATOM 932 CG ASP A 116 28.212 13.877 6.712 1.00 34.67 C ATOM 933 OD1 ASP A 116 27.478 13.268 5.927 1.00 38.73 O ATOM 934 OD2 ASP A 116 29.164 14.635 6.401 1.00 37.92 O ATOM 935 H ASP A 116 25.673 13.622 6.633 1.00 0.00 H ATOM 936 N ARG A 117 25.792 16.560 8.062 1.00 27.93 N ATOM 937 CA ARG A 117 25.685 17.991 8.351 1.00 27.73 C ATOM 938 C ARG A 117 24.588 18.346 9.317 1.00 25.05 C ATOM 939 O ARG A 117 24.378 19.525 9.568 1.00 24.61 O ATOM 940 CB ARG A 117 25.560 18.772 7.039 1.00 31.27 C ATOM 941 CG ARG A 117 26.733 18.457 6.140 1.00 35.18 C ATOM 942 CD ARG A 117 27.323 19.562 5.354 1.00 39.63 C ATOM 943 NE ARG A 117 28.262 18.942 4.407 1.00 41.27 N ATOM 944 CZ ARG A 117 28.551 19.363 3.177 1.00 43.84 C ATOM 945 NH1 ARG A 117 27.978 20.449 2.633 1.00 43.88 N ATOM 946 NH2 ARG A 117 29.393 18.645 2.435 1.00 45.95 N ATOM 947 HE ARG A 117 28.752 18.084 4.732 1.00 0.00 H ATOM 948 HH12 ARG A 117 28.233 20.743 1.669 1.00 0.00 H ATOM 949 HH11 ARG A 117 27.280 20.996 3.176 1.00 0.00 H ATOM 950 HH22 ARG A 117 29.632 18.956 1.472 1.00 0.00 H ATOM 951 HH21 ARG A 117 29.811 17.774 2.819 1.00 0.00 H ATOM 952 H ARG A 117 25.186 16.148 7.324 1.00 0.00 H ATOM 953 N LEU A 118 23.906 17.329 9.854 1.00 23.75 N ATOM 954 CA LEU A 118 22.840 17.493 10.820 1.00 23.93 C ATOM 955 C LEU A 118 23.263 16.926 12.153 1.00 23.43 C ATOM 956 O LEU A 118 24.162 16.105 12.211 1.00 25.94 O ATOM 957 CB LEU A 118 21.601 16.737 10.343 1.00 24.15 C ATOM 958 CG LEU A 118 21.088 17.120 8.950 1.00 24.98 C ATOM 959 CD1 LEU A 118 19.971 16.204 8.492 1.00 26.25 C ATOM 960 CD2 LEU A 118 20.659 18.578 9.000 1.00 24.89 C ATOM 961 H LEU A 118 24.156 16.363 9.560 1.00 0.00 H ATOM 962 N ALA A 119 22.626 17.392 13.212 1.00 24.27 N ATOM 963 CA ALA A 119 22.762 16.826 14.545 1.00 24.06 C ATOM 964 C ALA A 119 21.382 16.433 15.036 1.00 24.70 C ATOM 965 O ALA A 119 20.466 17.258 15.021 1.00 25.82 O ATOM 966 CB ALA A 119 23.357 17.826 15.501 1.00 24.61 C ATOM 967 H ALA A 119 21.993 18.208 13.086 1.00 0.00 H ATOM 968 N GLU A 120 21.265 15.232 15.602 1.00 23.63 N ATOM 969 CA GLU A 120 19.993 14.738 16.085 1.00 25.02 C ATOM 970 C GLU A 120 19.913 14.926 17.583 1.00 25.03 C ATOM 971 O GLU A 120 20.871 14.662 18.309 1.00 23.45 O ATOM 972 CB GLU A 120 19.780 13.249 15.736 1.00 27.82 C ATOM 973 CG GLU A 120 18.319 12.832 15.923 1.00 30.78 C ATOM 974 CD GLU A 120 17.958 11.462 15.370 1.00 34.50 C ATOM 975 OE1 GLU A 120 18.819 10.786 14.797 1.00 35.41 O ATOM 976 OE2 GLU A 120 16.772 11.107 15.527 1.00 36.78 O ATOM 977 H GLU A 120 22.110 14.634 15.699 1.00 0.00 H ATOM 978 N GLY A 121 18.745 15.323 18.063 1.00 24.62 N ATOM 979 CA GLY A 121 18.565 15.514 19.490 1.00 26.01 C ATOM 980 C GLY A 121 17.124 15.706 19.896 1.00 27.92 C ATOM 981 O GLY A 121 16.228 15.572 19.050 1.00 27.04 O ATOM 982 H GLY A 121 17.952 15.499 17.414 1.00 0.00 H ATOM 983 N PRO A 122 16.894 15.983 21.196 1.00 30.29 N ATOM 984 CA PRO A 122 15.526 16.017 21.694 1.00 32.76 C ATOM 985 C PRO A 122 14.726 17.211 21.153 1.00 33.71 C ATOM 986 O PRO A 122 15.280 18.271 20.916 1.00 34.16 O ATOM 987 CB PRO A 122 15.700 16.120 23.215 1.00 33.20 C ATOM 988 CG PRO A 122 17.089 16.645 23.426 1.00 32.45 C ATOM 989 CD PRO A 122 17.881 16.104 22.279 1.00 32.53 C ATOM 990 N ALA A 123 13.449 16.988 20.930 1.00 37.57 N ATOM 991 CA ALA A 123 12.500 18.049 20.638 1.00 42.95 C ATOM 992 C ALA A 123 12.278 18.830 21.931 1.00 45.86 C ATOM 993 O ALA A 123 12.302 20.054 21.896 1.00 54.86 O ATOM 994 CB ALA A 123 11.185 17.458 20.143 1.00 44.30 C ATOM 995 H ALA A 123 13.103 16.008 20.964 1.00 0.00 H TER 996 ALA A 123 HETATM 997 ZN ZN A 1 23.602 26.327 10.232 1.00 22.40 ZN HETATM 998 O HOH 2 30.795 15.470 8.115 1.00 31.78 O HETATM 999 O HOH 3 27.702 12.764 3.479 1.00 30.05 O HETATM 1000 O HOH 4 14.474 18.865 -15.852 1.00 24.04 O HETATM 1001 O HOH 5 8.236 9.440 8.429 1.00 49.12 O HETATM 1002 O HOH 6 19.740 24.516 -9.027 1.00 36.00 O HETATM 1003 O HOH 7 8.877 9.983 -8.534 1.00 49.12 O HETATM 1004 O HOH 8 11.856 9.235 -9.071 1.00 46.17 O HETATM 1005 O HOH 9 22.720 5.704 7.937 1.00 66.32 O HETATM 1006 O HOH 10 27.603 10.728 6.603 1.00 51.87 O HETATM 1007 O HOH 11 20.663 25.828 -6.849 1.00 33.81 O HETATM 1008 O HOH 12 29.733 16.801 4.953 1.00 51.46 O HETATM 1009 O HOH 13 10.221 15.841 -14.338 1.00 30.79 O HETATM 1010 O HOH 14 7.152 15.917 0.188 1.00 37.42 O HETATM 1011 O HOH 15 7.408 11.463 5.358 1.00 29.40 O HETATM 1012 O HOH 16 31.887 20.162 11.601 1.00 54.08 O HETATM 1013 O HOH 17 22.057 2.914 2.671 1.00 55.41 O HETATM 1014 O HOH 18 14.579 29.559 6.662 1.00 30.71 O HETATM 1015 O HOH 19 28.853 20.970 -0.027 1.00 44.50 O HETATM 1016 O HOH 20 15.747 21.035 20.675 1.00 31.61 O HETATM 1017 O HOH 21 10.770 8.118 10.867 1.00 51.10 O HETATM 1018 O HOH 22 2.031 7.366 -6.775 1.00 52.23 O HETATM 1019 O HOH 23 7.511 11.561 17.225 1.00 66.63 O HETATM 1020 O HOH 24 22.971 22.861 -13.076 1.00 40.20 O HETATM 1021 O HOH 25 17.721 6.610 10.473 1.00 69.93 O HETATM 1022 O HOH 26 7.829 12.512 -12.210 1.00 47.83 O HETATM 1023 O HOH 27 10.462 13.352 15.006 1.00 32.10 O HETATM 1024 O HOH 28 2.108 18.124 -3.882 1.00 53.10 O HETATM 1025 O HOH 29 19.502 3.825 -1.479 1.00 55.65 O HETATM 1026 O HOH 30 29.026 23.093 15.960 1.00 34.67 O HETATM 1027 O HOH 31 6.916 20.414 -8.509 1.00 35.51 O HETATM 1028 O HOH 32 33.352 14.534 -13.523 1.00 57.56 O HETATM 1029 O HOH 33 15.848 7.868 -9.319 1.00 47.06 O HETATM 1030 O HOH 34 5.258 17.475 -2.787 1.00 35.46 O HETATM 1031 O HOH 35 26.148 21.645 8.868 1.00 27.15 O HETATM 1032 O HOH 36 8.608 20.721 -0.241 1.00 49.01 O HETATM 1033 O HOH 37 7.716 22.296 12.881 1.00 44.28 O HETATM 1034 O HOH 38 22.267 15.628 -16.562 1.00 47.87 O HETATM 1035 O HOH 39 15.330 31.588 -0.740 1.00 55.75 O HETATM 1036 O HOH 40 28.890 24.447 3.430 1.00 32.59 O HETATM 1037 O HOH 41 33.846 11.519 -2.005 1.00 45.52 O HETATM 1038 O HOH 42 2.926 15.607 -4.369 1.00 43.00 O HETATM 1039 O HOH 43 30.321 19.467 14.909 1.00 36.48 O HETATM 1040 O HOH 44 20.179 6.751 -5.047 1.00 55.95 O HETATM 1041 O HOH 45 20.680 28.087 -10.183 1.00 56.74 O HETATM 1042 O HOH 46 9.424 11.908 -10.265 1.00 32.29 O HETATM 1043 O HOH 47 23.325 13.096 12.119 1.00 44.05 O HETATM 1044 O HOH 48 15.822 15.089 -13.768 1.00 49.51 O HETATM 1045 O HOH 49 12.870 6.747 12.286 1.00 51.88 O HETATM 1046 O HOH 50 18.157 32.678 -4.590 1.00 58.17 O HETATM 1047 O HOH 51 4.112 17.365 11.643 1.00 48.08 O HETATM 1048 O HOH 52 8.413 7.780 -1.247 1.00 59.79 O HETATM 1049 O HOH 53 10.982 20.784 13.668 1.00 59.43 O HETATM 1050 O HOH 54 17.238 12.693 21.913 1.00 55.84 O HETATM 1051 O HOH 55 26.239 19.318 -10.282 1.00 48.66 O HETATM 1052 O HOH 56 16.095 6.164 15.780 1.00 60.19 O HETATM 1053 O HOH 57 6.379 19.812 14.440 1.00 47.60 O HETATM 1054 O HOH 58 18.428 8.886 -11.715 1.00 52.39 O HETATM 1055 O HOH 59 5.065 9.951 11.690 1.00 66.38 O HETATM 1056 O HOH 60 22.947 27.103 -7.697 1.00 58.11 O HETATM 1057 O HOH 61 30.752 21.231 -7.191 1.00 61.54 O HETATM 1058 O HOH 62 22.130 24.731 -10.471 1.00 51.90 O HETATM 1059 O HOH 63 26.843 25.124 -2.739 1.00 59.49 O HETATM 1060 O HOH 64 26.316 29.608 -1.483 1.00 57.94 O HETATM 1061 C4 JPQ A 65 23.755 17.376 -6.812 1.00 0.15 C HETATM 1062 N2 JPQ A 65 24.285 18.695 -6.987 1.00 -0.27 N HETATM 1063 C5 JPQ A 65 25.445 19.061 -6.419 1.00 0.16 C HETATM 1064 C6 JPQ A 65 25.804 20.488 -6.557 1.00 -0.01 C HETATM 1065 C7 JPQ A 65 26.667 21.170 -5.783 1.00 -0.05 C HETATM 1066 C8 JPQ A 65 27.103 22.572 -6.116 1.00 -0.02 C HETATM 1067 H3 JPQ A 65 27.806 22.929 -5.349 1.00 0.05 H HETATM 1068 H4 JPQ A 65 26.224 23.233 -6.143 1.00 0.05 H HETATM 1069 H5 JPQ A 65 27.598 22.579 -7.099 1.00 0.05 H HETATM 1070 C9 JPQ A 65 27.292 20.635 -4.518 1.00 -0.02 C HETATM 1071 H6 JPQ A 65 26.932 19.612 -4.335 1.00 0.05 H HETATM 1072 H7 JPQ A 65 27.013 21.279 -3.671 1.00 0.05 H HETATM 1073 H8 JPQ A 65 28.387 20.625 -4.626 1.00 0.05 H HETATM 1074 H2 JPQ A 65 25.323 21.041 -7.363 1.00 0.03 H HETATM 1075 O3 JPQ A 65 26.159 18.256 -5.826 1.00 -0.41 O HETATM 1076 H10 JPQ A 65 23.781 19.356 -7.543 1.00 0.19 H HETATM 1077 C3 JPQ A 65 22.236 17.327 -6.613 1.00 0.08 C HETATM 1078 C2 JPQ A 65 21.804 16.155 -7.447 1.00 0.21 C HETATM 1079 N1 JPQ A 65 22.859 15.786 -8.250 1.00 -0.20 N HETATM 1080 C1 JPQ A 65 23.989 16.523 -8.040 1.00 0.23 C HETATM 1081 O1 JPQ A 65 25.012 16.491 -8.712 1.00 -0.38 O HETATM 1082 H9 JPQ A 65 22.803 15.049 -8.923 1.00 0.23 H HETATM 1083 O2 JPQ A 65 20.760 15.539 -7.373 1.00 -0.39 O HETATM 1084 H11 JPQ A 65 21.764 18.255 -6.967 1.00 0.06 H HETATM 1085 H12 JPQ A 65 21.984 17.169 -5.554 1.00 0.06 H HETATM 1086 H1 JPQ A 65 24.252 16.924 -5.941 1.00 0.08 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 54 53 997 CONECT 90 89 997 CONECT 694 693 997 CONECT 718 717 997 CONECT 997 54 90 694 718 CONECT 1061 1062 1077 1080 1086 CONECT 1062 1061 1063 1076 CONECT 1063 1062 1064 1075 CONECT 1064 1063 1065 1074 CONECT 1065 1064 1066 1070 CONECT 1066 1065 1067 1068 1069 CONECT 1067 1066 CONECT 1068 1066 CONECT 1069 1066 CONECT 1070 1065 1071 1072 1073 CONECT 1071 1070 CONECT 1072 1070 CONECT 1073 1070 CONECT 1074 1064 CONECT 1075 1063 CONECT 1076 1062 CONECT 1077 1061 1078 1084 1085 CONECT 1078 1077 1079 1083 CONECT 1079 1078 1080 1082 CONECT 1080 1061 1079 1081 CONECT 1081 1080 CONECT 1082 1079 CONECT 1083 1078 CONECT 1084 1077 CONECT 1085 1077 CONECT 1086 1061 MASTER 0 0 0 0 0 0 0 0 1085 1 35 8 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6r1x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5oh1
RCSB PDB
PDBbind
125aa, >5OH1_1|Chains... *
5oh2
RCSB PDB
PDBbind
125aa, >5OH2_1|Chains... at 100%
5oh3
RCSB PDB
PDBbind
125aa, >5OH3_1|Chains... at 100%
5oh4
RCSB PDB
PDBbind
125aa, >5OH4_1|Chains... at 100%
5oh7
RCSB PDB
PDBbind
125aa, >5OH7_1|Chains... at 100%
5oh9
RCSB PDB
PDBbind
125aa, >5OH9_1|Chains... at 100%
5oha
RCSB PDB
PDBbind
125aa, >5OHA_1|Chains... at 100%
6r1w
RCSB PDB
PDBbind
125aa, >6R1W_1|Chains... at 100%
6r1k
RCSB PDB
PDBbind
125aa, >6R1K_1|Chains... at 100%
6r1d
RCSB PDB
PDBbind
125aa, >6R1D_1|Chains... at 100%
6r1c
RCSB PDB
PDBbind
125aa, >6R1C_1|Chains... at 100%
6r1a
RCSB PDB
PDBbind
125aa, >6R1A_1|Chains... at 100%
6r18
RCSB PDB
PDBbind
125aa, >6R18_1|Chains... at 100%
6r13
RCSB PDB
PDBbind
125aa, >6R13_1|Chains... at 100%
6r12
RCSB PDB
PDBbind
125aa, >6R12_1|Chains... at 100%
6r0s
RCSB PDB
PDBbind
125aa, >6R0S_1|Chains... at 100%
6r0u
RCSB PDB
PDBbind
125aa, >6R0U_1|Chains... at 100%
6r0v
RCSB PDB
PDBbind
125aa, >6R0V_1|Chains... at 100%
6r11
RCSB PDB
PDBbind
125aa, >6R11_1|Chains... 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
6r1x
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Cereblon isoform 4
Ligand Name
JPQ
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=40uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 6615-6629
Ligand Properties
Formula
C
9
H
1
2
N
2
O
3
Molecular Weight
196.203
Exact Mass
196.085
No. of atoms
26
No. of bonds
26
Polar Surface Area
75.27
LOGP Value
-0.14 (
Computed with XLOGP3
)
0.20 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
Canonical SMILES
O=C(C=C(C)C)N[C@H]1CC(=O)NC1=O
InChI String
InChI=1S/C9H12N2O3/c1-5(2)3-7(12)10-6-4-8(13)11-9(6)14/h3,6H,4H2,1-2H3,(H,10,12)(H,11,13,14)/t6-/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):
A4TVL0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓