Browse entries in the PDBbind-CN Database
HEADER 6R1K_COMPLEX COMPND 6R1K_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 JPB A 149 26 ATOM 1 N SER A 20 15.786 13.520 17.667 1.00 48.94 N ATOM 2 CA SER A 20 14.449 14.050 17.405 1.00 47.98 C ATOM 3 C SER A 20 14.393 15.283 16.463 1.00 46.14 C ATOM 4 O SER A 20 13.608 15.228 15.485 1.00 46.43 O ATOM 5 CB SER A 20 13.692 14.249 18.680 1.00 52.61 C ATOM 6 OG SER A 20 12.394 14.630 18.396 1.00 53.67 O ATOM 7 HG SER A 20 11.954 13.924 17.859 1.00 0.00 H ATOM 8 HN3 SER A 20 16.369 14.257 18.112 1.00 0.00 H ATOM 9 HN2 SER A 20 16.223 13.226 16.770 1.00 0.00 H ATOM 10 HN1 SER A 20 15.714 12.701 18.304 1.00 0.00 H ATOM 11 N ILE A 21 15.206 16.345 16.682 1.00 40.89 N ATOM 12 CA ILE A 21 15.288 17.402 15.678 1.00 40.76 C ATOM 13 C ILE A 21 16.721 17.514 15.123 1.00 37.62 C ATOM 14 O ILE A 21 17.683 17.140 15.767 1.00 36.71 O ATOM 15 CB ILE A 21 14.638 18.702 16.109 1.00 44.89 C ATOM 16 CG1 ILE A 21 15.469 19.374 17.101 1.00 46.69 C ATOM 17 CG2 ILE A 21 13.202 18.522 16.681 1.00 46.12 C ATOM 18 CD1 ILE A 21 16.152 20.511 16.414 1.00 49.38 C ATOM 19 H ILE A 21 15.766 16.406 17.556 1.00 0.00 H ATOM 20 N PHE A 22 16.825 18.010 13.917 1.00 33.63 N ATOM 21 CA PHE A 22 18.051 18.237 13.252 1.00 31.02 C ATOM 22 C PHE A 22 18.297 19.724 13.136 1.00 31.56 C ATOM 23 O PHE A 22 17.412 20.452 12.660 1.00 28.70 O ATOM 24 CB PHE A 22 18.088 17.637 11.872 1.00 32.35 C ATOM 25 CG PHE A 22 17.991 16.143 11.852 1.00 34.43 C ATOM 26 CD1 PHE A 22 19.039 15.321 12.289 1.00 36.85 C ATOM 27 CD2 PHE A 22 16.816 15.541 11.444 1.00 36.30 C ATOM 28 CE1 PHE A 22 18.910 13.938 12.247 1.00 38.21 C ATOM 29 CE2 PHE A 22 16.690 14.144 11.406 1.00 36.72 C ATOM 30 CZ PHE A 22 17.718 13.355 11.840 1.00 38.21 C ATOM 31 H PHE A 22 15.948 18.253 13.415 1.00 0.00 H ATOM 32 N ARG A 23 19.497 20.134 13.550 1.00 31.13 N ATOM 33 CA ARG A 23 19.956 21.497 13.474 1.00 30.48 C ATOM 34 C ARG A 23 21.178 21.561 12.605 1.00 30.13 C ATOM 35 O ARG A 23 21.892 20.574 12.383 1.00 29.65 O ATOM 36 CB ARG A 23 20.316 22.023 14.855 1.00 32.44 C ATOM 37 CG ARG A 23 19.142 22.092 15.804 1.00 34.23 C ATOM 38 CD ARG A 23 19.565 22.667 17.180 1.00 36.10 C ATOM 39 NE ARG A 23 18.340 22.864 17.937 1.00 35.08 N ATOM 40 CZ ARG A 23 17.425 23.800 17.721 1.00 37.71 C ATOM 41 NH1 ARG A 23 17.623 24.834 16.871 1.00 37.46 N ATOM 42 NH2 ARG A 23 16.291 23.768 18.422 1.00 39.81 N ATOM 43 HE ARG A 23 18.164 22.208 18.724 1.00 0.00 H ATOM 44 HH12 ARG A 23 16.876 25.544 16.734 1.00 0.00 H ATOM 45 HH11 ARG A 23 18.522 24.918 16.355 1.00 0.00 H ATOM 46 HH22 ARG A 23 15.563 24.494 18.266 1.00 0.00 H ATOM 47 HH21 ARG A 23 16.135 23.017 19.125 1.00 0.00 H ATOM 48 H ARG A 23 20.142 19.425 13.953 1.00 0.00 H ATOM 49 N CYS A 24 21.427 22.746 12.048 1.00 28.65 N ATOM 50 CA CYS A 24 22.663 23.015 11.365 1.00 28.76 C ATOM 51 C CYS A 24 23.811 22.810 12.360 1.00 29.54 C ATOM 52 O CYS A 24 23.819 23.378 13.421 1.00 28.42 O ATOM 53 CB CYS A 24 22.726 24.405 10.830 1.00 29.33 C ATOM 54 SG CYS A 24 24.299 24.904 10.068 1.00 30.62 S ATOM 55 H CYS A 24 20.709 23.495 12.109 1.00 0.00 H ATOM 56 N ARG A 25 24.759 21.990 11.957 1.00 27.80 N ATOM 57 CA ARG A 25 25.890 21.669 12.777 1.00 32.99 C ATOM 58 C ARG A 25 26.787 22.875 13.025 1.00 34.15 C ATOM 59 O ARG A 25 27.446 22.942 14.044 1.00 34.98 O ATOM 60 CB ARG A 25 26.639 20.562 12.030 1.00 33.67 C ATOM 61 CG ARG A 25 27.853 20.134 12.654 1.00 36.26 C ATOM 62 CD ARG A 25 28.380 18.991 11.842 1.00 37.58 C ATOM 63 NE ARG A 25 29.637 18.806 12.448 1.00 38.50 N ATOM 64 CZ ARG A 25 30.467 17.847 12.149 1.00 39.07 C ATOM 65 NH1 ARG A 25 30.167 16.922 11.191 1.00 36.44 N ATOM 66 NH2 ARG A 25 31.581 17.887 12.846 1.00 42.25 N ATOM 67 HE ARG A 25 29.923 19.481 13.185 1.00 0.00 H ATOM 68 HH12 ARG A 25 30.845 16.165 10.969 1.00 0.00 H ATOM 69 HH11 ARG A 25 29.261 16.974 10.683 1.00 0.00 H ATOM 70 HH22 ARG A 25 32.317 17.169 12.691 1.00 0.00 H ATOM 71 HH21 ARG A 25 31.726 18.636 13.552 1.00 0.00 H ATOM 72 H ARG A 25 24.685 21.561 11.013 1.00 0.00 H ATOM 73 N GLN A 26 26.803 23.832 12.087 1.00 35.68 N ATOM 74 CA GLN A 26 27.647 25.025 12.207 1.00 38.80 C ATOM 75 C GLN A 26 27.134 26.096 13.129 1.00 38.50 C ATOM 76 O GLN A 26 27.911 26.727 13.771 1.00 39.51 O ATOM 77 CB GLN A 26 27.984 25.602 10.808 1.00 41.32 C ATOM 78 CG GLN A 26 28.936 24.686 10.064 1.00 47.54 C ATOM 79 CD GLN A 26 30.227 24.377 10.849 1.00 54.65 C ATOM 80 OE1 GLN A 26 30.539 23.198 11.125 1.00 62.80 O ATOM 81 NE2 GLN A 26 30.940 25.439 11.281 1.00 58.49 N ATOM 82 HE22 GLN A 26 30.643 26.403 11.027 1.00 0.00 H ATOM 83 HE21 GLN A 26 31.786 25.293 11.868 1.00 0.00 H ATOM 84 H GLN A 26 26.198 23.725 11.248 1.00 0.00 H ATOM 85 N CYS A 27 25.849 26.338 13.170 1.00 32.02 N ATOM 86 CA CYS A 27 25.323 27.449 13.938 1.00 33.07 C ATOM 87 C CYS A 27 24.120 27.103 14.808 1.00 33.02 C ATOM 88 O CYS A 27 23.639 27.953 15.546 1.00 36.04 O ATOM 89 CB CYS A 27 24.975 28.570 12.937 1.00 31.42 C ATOM 90 SG CYS A 27 23.505 28.127 11.999 1.00 29.00 S ATOM 91 H CYS A 27 25.195 25.724 12.644 1.00 0.00 H ATOM 92 N GLY A 28 23.576 25.897 14.674 1.00 32.74 N ATOM 93 CA GLY A 28 22.422 25.511 15.423 1.00 33.03 C ATOM 94 C GLY A 28 21.041 25.818 14.904 1.00 32.17 C ATOM 95 O GLY A 28 20.058 25.537 15.568 1.00 30.92 O ATOM 96 H GLY A 28 24.000 25.219 14.009 1.00 0.00 H ATOM 97 N GLN A 29 20.943 26.424 13.731 1.00 29.54 N ATOM 98 CA GLN A 29 19.649 26.706 13.113 1.00 31.07 C ATOM 99 C GLN A 29 18.811 25.444 13.044 1.00 29.83 C ATOM 100 O GLN A 29 19.305 24.427 12.627 1.00 30.59 O ATOM 101 CB GLN A 29 19.862 27.231 11.686 1.00 31.02 C ATOM 102 CG GLN A 29 18.599 27.380 10.863 1.00 31.25 C ATOM 103 CD GLN A 29 18.004 28.736 10.994 1.00 34.19 C ATOM 104 OE1 GLN A 29 17.915 29.237 12.078 1.00 34.66 O ATOM 105 NE2 GLN A 29 17.698 29.384 9.851 1.00 35.19 N ATOM 106 HE22 GLN A 29 17.794 28.899 8.936 1.00 0.00 H ATOM 107 HE21 GLN A 29 17.366 30.369 9.885 1.00 0.00 H ATOM 108 H GLN A 29 21.812 26.708 13.235 1.00 0.00 H ATOM 109 N THR A 30 17.548 25.559 13.394 1.00 29.98 N ATOM 110 CA THR A 30 16.607 24.423 13.311 1.00 31.38 C ATOM 111 C THR A 30 16.268 24.156 11.855 1.00 30.81 C ATOM 112 O THR A 30 15.934 25.085 11.143 1.00 29.74 O ATOM 113 CB THR A 30 15.361 24.647 14.181 1.00 34.05 C ATOM 114 OG1 THR A 30 14.781 23.388 14.514 1.00 34.72 O ATOM 115 CG2 THR A 30 14.341 25.633 13.567 1.00 35.53 C ATOM 116 HG1 THR A 30 13.978 23.534 15.075 1.00 0.00 H ATOM 117 H THR A 30 17.202 26.477 13.739 1.00 0.00 H ATOM 118 N ILE A 31 16.427 22.902 11.436 1.00 29.27 N ATOM 119 CA ILE A 31 16.316 22.528 10.029 1.00 29.61 C ATOM 120 C ILE A 31 15.221 21.490 9.781 1.00 30.48 C ATOM 121 O ILE A 31 14.357 21.692 8.953 1.00 29.08 O ATOM 122 CB ILE A 31 17.640 22.005 9.431 1.00 30.24 C ATOM 123 CG1 ILE A 31 18.752 23.037 9.550 1.00 28.82 C ATOM 124 CG2 ILE A 31 17.445 21.578 7.944 1.00 30.41 C ATOM 125 CD1 ILE A 31 18.565 24.332 8.803 1.00 29.78 C ATOM 126 H ILE A 31 16.638 22.162 12.136 1.00 0.00 H ATOM 127 N SER A 32 15.207 20.399 10.517 1.00 30.51 N ATOM 128 CA SER A 32 14.244 19.338 10.246 1.00 31.60 C ATOM 129 C SER A 32 14.062 18.405 11.441 1.00 33.15 C ATOM 130 O SER A 32 14.469 18.764 12.545 1.00 31.41 O ATOM 131 CB SER A 32 14.608 18.556 8.973 1.00 31.57 C ATOM 132 OG SER A 32 13.465 17.866 8.476 1.00 34.27 O ATOM 133 HG SER A 32 12.753 18.520 8.263 1.00 0.00 H ATOM 134 H SER A 32 15.887 20.293 11.297 1.00 0.00 H ATOM 135 N ARG A 33 13.381 17.273 11.243 1.00 34.23 N ATOM 136 CA ARG A 33 13.002 16.339 12.298 1.00 37.61 C ATOM 137 C ARG A 33 13.133 14.941 11.792 1.00 37.41 C ATOM 138 O ARG A 33 12.859 14.649 10.572 1.00 36.92 O ATOM 139 CB ARG A 33 11.543 16.491 12.703 1.00 44.42 C ATOM 140 CG ARG A 33 11.140 17.918 12.964 1.00 50.82 C ATOM 141 CD ARG A 33 9.716 17.976 13.528 1.00 57.61 C ATOM 142 NE ARG A 33 9.700 17.460 14.896 1.00 63.35 N ATOM 143 CZ ARG A 33 9.704 18.209 16.002 1.00 69.92 C ATOM 144 NH1 ARG A 33 9.737 19.546 15.944 1.00 74.77 N ATOM 145 NH2 ARG A 33 9.679 17.615 17.177 1.00 73.26 N ATOM 146 HE ARG A 33 9.684 16.427 15.018 1.00 0.00 H ATOM 147 HH12 ARG A 33 9.739 20.105 16.821 1.00 0.00 H ATOM 148 HH11 ARG A 33 9.760 20.026 15.022 1.00 0.00 H ATOM 149 HH22 ARG A 33 9.682 18.184 18.048 1.00 0.00 H ATOM 150 HH21 ARG A 33 9.657 16.577 17.234 1.00 0.00 H ATOM 151 H ARG A 33 13.101 17.041 10.269 1.00 0.00 H ATOM 152 N ARG A 34 13.456 14.038 12.723 1.00 39.41 N ATOM 153 CA ARG A 34 13.571 12.637 12.382 1.00 41.85 C ATOM 154 C ARG A 34 12.234 12.091 11.773 1.00 42.29 C ATOM 155 O ARG A 34 12.215 11.298 10.816 1.00 41.29 O ATOM 156 CB ARG A 34 13.984 11.829 13.606 1.00 46.88 C ATOM 157 CG ARG A 34 14.162 10.333 13.337 1.00 52.37 C ATOM 158 CD ARG A 34 15.062 9.669 14.394 1.00 54.98 C ATOM 159 NE ARG A 34 16.468 9.969 14.103 1.00 56.09 N ATOM 160 CZ ARG A 34 17.269 9.292 13.272 1.00 55.10 C ATOM 161 NH1 ARG A 34 16.879 8.212 12.596 1.00 60.28 N ATOM 162 NH2 ARG A 34 18.512 9.690 13.115 1.00 53.73 N ATOM 163 HE ARG A 34 16.883 10.788 14.591 1.00 0.00 H ATOM 164 HH12 ARG A 34 17.546 7.726 11.963 1.00 0.00 H ATOM 165 HH11 ARG A 34 15.908 7.855 12.701 1.00 0.00 H ATOM 166 HH22 ARG A 34 19.146 9.174 12.472 1.00 0.00 H ATOM 167 HH21 ARG A 34 18.861 10.521 13.633 1.00 0.00 H ATOM 168 H ARG A 34 13.626 14.346 13.702 1.00 0.00 H ATOM 169 N ASP A 35 11.137 12.577 12.335 1.00 43.37 N ATOM 170 CA ASP A 35 9.793 12.202 11.887 1.00 45.53 C ATOM 171 C ASP A 35 9.540 12.531 10.415 1.00 42.66 C ATOM 172 O ASP A 35 8.624 12.001 9.815 1.00 41.28 O ATOM 173 CB ASP A 35 8.731 12.947 12.717 1.00 49.81 C ATOM 174 CG ASP A 35 8.565 12.407 14.113 1.00 53.32 C ATOM 175 OD1 ASP A 35 9.022 11.302 14.434 1.00 60.15 O ATOM 176 OD2 ASP A 35 7.929 13.098 14.897 1.00 57.49 O ATOM 177 H ASP A 35 11.233 13.249 13.123 1.00 0.00 H ATOM 178 N TRP A 36 10.308 13.476 9.861 1.00 39.34 N ATOM 179 CA TRP A 36 10.128 13.925 8.499 1.00 38.18 C ATOM 180 C TRP A 36 11.043 13.234 7.489 1.00 37.17 C ATOM 181 O TRP A 36 11.035 13.611 6.309 1.00 38.38 O ATOM 182 CB TRP A 36 10.254 15.432 8.404 1.00 37.67 C ATOM 183 CG TRP A 36 9.296 16.179 9.238 1.00 40.25 C ATOM 184 CD1 TRP A 36 8.137 15.719 9.791 1.00 44.30 C ATOM 185 CD2 TRP A 36 9.366 17.550 9.563 1.00 41.74 C ATOM 186 NE1 TRP A 36 7.503 16.716 10.505 1.00 45.16 N ATOM 187 CE2 TRP A 36 8.232 17.860 10.364 1.00 43.86 C ATOM 188 CE3 TRP A 36 10.311 18.552 9.310 1.00 42.82 C ATOM 189 CZ2 TRP A 36 7.983 19.153 10.861 1.00 44.98 C ATOM 190 CZ3 TRP A 36 10.057 19.856 9.770 1.00 41.56 C ATOM 191 CH2 TRP A 36 8.908 20.132 10.576 1.00 43.07 C ATOM 192 HE1 TRP A 36 6.625 16.613 11.053 1.00 0.00 H ATOM 193 H TRP A 36 11.064 13.904 10.433 1.00 0.00 H ATOM 194 N LEU A 37 11.812 12.242 7.925 1.00 37.84 N ATOM 195 CA LEU A 37 12.607 11.485 6.955 1.00 40.15 C ATOM 196 C LEU A 37 11.682 10.794 5.967 1.00 46.15 C ATOM 197 O LEU A 37 10.612 10.356 6.348 1.00 45.93 O ATOM 198 CB LEU A 37 13.454 10.448 7.659 1.00 43.64 C ATOM 199 CG LEU A 37 14.663 11.020 8.357 1.00 42.50 C ATOM 200 CD1 LEU A 37 15.239 10.094 9.399 1.00 47.43 C ATOM 201 CD2 LEU A 37 15.686 11.434 7.299 1.00 43.28 C ATOM 202 H LEU A 37 11.849 12.007 8.937 1.00 0.00 H ATOM 203 N LEU A 38 12.091 10.704 4.721 1.00 47.47 N ATOM 204 CA LEU A 38 11.290 10.179 3.624 1.00 49.02 C ATOM 205 C LEU A 38 12.085 9.052 2.932 1.00 53.95 C ATOM 206 O LEU A 38 13.158 9.320 2.375 1.00 48.10 O ATOM 207 CB LEU A 38 11.097 11.321 2.641 1.00 47.97 C ATOM 208 CG LEU A 38 10.351 11.058 1.310 1.00 54.62 C ATOM 209 CD1 LEU A 38 8.919 10.587 1.549 1.00 55.14 C ATOM 210 CD2 LEU A 38 10.297 12.310 0.460 1.00 55.65 C ATOM 211 H LEU A 38 13.054 11.031 4.503 1.00 0.00 H ATOM 212 N PRO A 39 11.582 7.810 2.921 1.00 61.33 N ATOM 213 CA PRO A 39 12.240 6.732 2.151 1.00 63.64 C ATOM 214 C PRO A 39 12.108 6.783 0.619 1.00 65.70 C ATOM 215 O PRO A 39 11.426 5.970 0.053 1.00 75.95 O ATOM 216 CB PRO A 39 11.578 5.464 2.733 1.00 64.07 C ATOM 217 CG PRO A 39 10.208 5.911 3.044 1.00 62.98 C ATOM 218 CD PRO A 39 10.411 7.288 3.660 1.00 63.50 C ATOM 219 N MET A 40 12.795 7.713 -0.038 1.00 67.78 N ATOM 220 CA MET A 40 12.807 7.829 -1.515 1.00 69.47 C ATOM 221 C MET A 40 13.536 6.630 -2.110 1.00 73.37 C ATOM 222 O MET A 40 14.684 6.341 -1.744 1.00 71.21 O ATOM 223 CB MET A 40 13.566 9.076 -1.945 1.00 71.07 C ATOM 224 CG MET A 40 12.809 10.359 -1.779 1.00 74.38 C ATOM 225 SD MET A 40 11.453 10.573 -2.919 1.00 75.53 S ATOM 226 CE MET A 40 12.356 10.415 -4.467 1.00 73.92 C ATOM 227 H MET A 40 13.353 8.395 0.514 1.00 0.00 H ATOM 228 N GLY A 41 12.863 5.948 -3.041 1.00 77.40 N ATOM 229 CA GLY A 41 13.379 4.718 -3.618 1.00 77.11 C ATOM 230 C GLY A 41 13.580 3.604 -2.598 1.00 77.75 C ATOM 231 O GLY A 41 14.406 2.723 -2.815 1.00 80.83 O ATOM 232 H GLY A 41 11.942 6.308 -3.363 1.00 0.00 H ATOM 233 N GLY A 42 12.834 3.633 -1.491 1.00 76.08 N ATOM 234 CA GLY A 42 12.981 2.646 -0.417 1.00 74.65 C ATOM 235 C GLY A 42 13.997 2.947 0.684 1.00 73.35 C ATOM 236 O GLY A 42 14.138 2.146 1.600 1.00 73.53 O ATOM 237 H GLY A 42 12.122 4.384 -1.387 1.00 0.00 H ATOM 238 N ASP A 43 14.719 4.063 0.615 1.00 71.75 N ATOM 239 CA ASP A 43 15.721 4.369 1.652 1.00 71.15 C ATOM 240 C ASP A 43 15.830 5.880 1.817 1.00 68.41 C ATOM 241 O ASP A 43 15.938 6.601 0.827 1.00 67.39 O ATOM 242 CB ASP A 43 17.090 3.769 1.259 1.00 73.10 C ATOM 243 CG ASP A 43 18.084 3.657 2.450 1.00 75.65 C ATOM 244 OD1 ASP A 43 17.901 4.315 3.509 1.00 71.27 O ATOM 245 OD2 ASP A 43 19.079 2.889 2.326 1.00 79.14 O ATOM 246 H ASP A 43 14.575 4.723 -0.176 1.00 0.00 H ATOM 247 N HIS A 44 15.822 6.367 3.061 1.00 66.80 N ATOM 248 CA HIS A 44 16.043 7.802 3.285 1.00 63.66 C ATOM 249 C HIS A 44 17.502 8.220 3.004 1.00 58.91 C ATOM 250 O HIS A 44 17.719 9.377 2.689 1.00 53.95 O ATOM 251 CB HIS A 44 15.573 8.256 4.688 1.00 61.75 C ATOM 252 CG HIS A 44 16.323 7.645 5.820 1.00 65.01 C ATOM 253 ND1 HIS A 44 15.818 6.596 6.555 1.00 69.93 N ATOM 254 CD2 HIS A 44 17.517 7.966 6.387 1.00 67.73 C ATOM 255 CE1 HIS A 44 16.683 6.273 7.507 1.00 72.05 C ATOM 256 NE2 HIS A 44 17.724 7.085 7.424 1.00 68.78 N ATOM 257 H HIS A 44 15.660 5.732 3.869 1.00 0.00 H ATOM 258 N GLU A 45 18.455 7.277 3.099 1.00 55.27 N ATOM 259 CA GLU A 45 19.882 7.532 2.796 1.00 54.32 C ATOM 260 C GLU A 45 20.342 7.159 1.373 1.00 57.25 C ATOM 261 O GLU A 45 20.066 6.049 0.927 1.00 59.24 O ATOM 262 CB GLU A 45 20.799 6.799 3.757 1.00 53.25 C ATOM 263 CG GLU A 45 22.197 7.391 3.689 1.00 53.00 C ATOM 264 CD GLU A 45 23.125 6.896 4.736 1.00 60.53 C ATOM 265 OE1 GLU A 45 23.224 7.556 5.789 1.00 61.06 O ATOM 266 OE2 GLU A 45 23.785 5.869 4.475 1.00 68.83 O ATOM 267 H GLU A 45 18.177 6.321 3.400 1.00 0.00 H ATOM 268 N HIS A 46 21.020 8.081 0.690 1.00 53.36 N ATOM 269 CA HIS A 46 21.523 7.878 -0.670 1.00 49.96 C ATOM 270 C HIS A 46 22.938 8.457 -0.707 1.00 47.64 C ATOM 271 O HIS A 46 23.131 9.641 -0.359 1.00 48.08 O ATOM 272 CB HIS A 46 20.648 8.657 -1.636 1.00 52.17 C ATOM 273 CG HIS A 46 19.238 8.158 -1.712 1.00 56.73 C ATOM 274 ND1 HIS A 46 18.763 7.429 -2.781 1.00 60.88 N ATOM 275 CD2 HIS A 46 18.215 8.218 -0.833 1.00 57.21 C ATOM 276 CE1 HIS A 46 17.499 7.085 -2.562 1.00 60.45 C ATOM 277 NE2 HIS A 46 17.152 7.534 -1.376 1.00 61.22 N ATOM 278 H HIS A 46 21.202 8.996 1.149 1.00 0.00 H ATOM 279 N VAL A 47 23.942 7.661 -1.043 1.00 42.13 N ATOM 280 CA VAL A 47 25.306 8.160 -1.124 1.00 42.05 C ATOM 281 C VAL A 47 25.665 8.472 -2.558 1.00 42.98 C ATOM 282 O VAL A 47 25.599 7.618 -3.414 1.00 44.14 O ATOM 283 CB VAL A 47 26.361 7.205 -0.520 1.00 46.11 C ATOM 284 CG1 VAL A 47 27.732 7.887 -0.516 1.00 44.16 C ATOM 285 CG2 VAL A 47 25.995 6.884 0.912 1.00 47.46 C ATOM 286 H VAL A 47 23.752 6.660 -1.253 1.00 0.00 H ATOM 287 N VAL A 48 26.059 9.700 -2.816 1.00 41.48 N ATOM 288 CA VAL A 48 26.130 10.218 -4.199 1.00 40.07 C ATOM 289 C VAL A 48 27.365 11.075 -4.364 1.00 38.92 C ATOM 290 O VAL A 48 27.901 11.564 -3.374 1.00 40.56 O ATOM 291 CB VAL A 48 24.860 11.070 -4.525 1.00 38.37 C ATOM 292 CG1 VAL A 48 23.641 10.217 -4.573 1.00 38.94 C ATOM 293 CG2 VAL A 48 24.616 12.159 -3.492 1.00 35.84 C ATOM 294 H VAL A 48 26.327 10.322 -2.027 1.00 0.00 H ATOM 295 N PHE A 49 27.809 11.254 -5.599 1.00 37.86 N ATOM 296 CA PHE A 49 28.880 12.150 -5.932 1.00 37.81 C ATOM 297 C PHE A 49 28.487 13.151 -7.000 1.00 38.74 C ATOM 298 O PHE A 49 27.711 12.838 -7.897 1.00 38.06 O ATOM 299 CB PHE A 49 30.151 11.344 -6.406 1.00 42.88 C ATOM 300 H PHE A 49 27.358 10.717 -6.367 1.00 0.00 H ATOM 301 N ASN A 50 29.013 14.353 -6.891 1.00 40.21 N ATOM 302 CA ASN A 50 28.785 15.415 -7.867 1.00 41.49 C ATOM 303 C ASN A 50 29.903 15.429 -8.916 1.00 43.05 C ATOM 304 O ASN A 50 30.821 14.606 -8.861 1.00 42.91 O ATOM 305 CB ASN A 50 28.530 16.768 -7.126 1.00 40.88 C ATOM 306 CG ASN A 50 29.757 17.404 -6.563 1.00 43.01 C ATOM 307 OD1 ASN A 50 30.877 16.908 -6.693 1.00 43.74 O ATOM 308 ND2 ASN A 50 29.561 18.573 -5.967 1.00 41.98 N ATOM 309 HD22 ASN A 50 28.598 18.956 -5.878 1.00 0.00 H ATOM 310 HD21 ASN A 50 30.370 19.106 -5.589 1.00 0.00 H ATOM 311 H ASN A 50 29.620 14.556 -6.071 1.00 0.00 H ATOM 312 N PRO A 51 29.825 16.338 -9.898 1.00 44.49 N ATOM 313 CA PRO A 51 30.844 16.294 -10.977 1.00 47.47 C ATOM 314 C PRO A 51 32.248 16.664 -10.478 1.00 48.29 C ATOM 315 O PRO A 51 33.219 16.290 -11.079 1.00 49.93 O ATOM 316 CB PRO A 51 30.305 17.315 -11.991 1.00 48.63 C ATOM 317 CG PRO A 51 28.799 17.335 -11.730 1.00 46.93 C ATOM 318 CD PRO A 51 28.698 17.237 -10.237 1.00 44.72 C ATOM 319 N ALA A 52 32.331 17.359 -9.352 1.00 47.45 N ATOM 320 CA ALA A 52 33.594 17.642 -8.680 1.00 48.59 C ATOM 321 C ALA A 52 34.138 16.468 -7.846 1.00 46.41 C ATOM 322 O ALA A 52 35.182 16.613 -7.194 1.00 46.87 O ATOM 323 CB ALA A 52 33.451 18.879 -7.800 1.00 47.88 C ATOM 324 H ALA A 52 31.453 17.720 -8.927 1.00 0.00 H ATOM 325 N GLY A 53 33.429 15.345 -7.823 1.00 44.14 N ATOM 326 CA GLY A 53 33.851 14.152 -7.123 1.00 44.22 C ATOM 327 C GLY A 53 33.590 14.178 -5.644 1.00 43.06 C ATOM 328 O GLY A 53 34.082 13.310 -4.907 1.00 44.72 O ATOM 329 H GLY A 53 32.524 15.323 -8.335 1.00 0.00 H ATOM 330 N MET A 54 32.831 15.151 -5.165 1.00 43.04 N ATOM 331 CA MET A 54 32.518 15.275 -3.763 1.00 45.12 C ATOM 332 C MET A 54 31.465 14.239 -3.444 1.00 45.11 C ATOM 333 O MET A 54 30.432 14.167 -4.169 1.00 43.48 O ATOM 334 CB MET A 54 31.985 16.669 -3.446 1.00 46.55 C ATOM 335 CG MET A 54 32.920 17.793 -3.786 1.00 51.13 C ATOM 336 SD MET A 54 32.045 19.363 -3.614 1.00 56.80 S ATOM 337 CE MET A 54 33.356 20.466 -4.145 1.00 58.32 C ATOM 338 H MET A 54 32.445 15.854 -5.827 1.00 0.00 H ATOM 339 N ILE A 55 31.717 13.444 -2.385 1.00 42.95 N ATOM 340 CA ILE A 55 30.800 12.420 -1.935 1.00 45.28 C ATOM 341 C ILE A 55 29.890 13.059 -0.869 1.00 41.33 C ATOM 342 O ILE A 55 30.362 13.815 -0.021 1.00 44.25 O ATOM 343 CB ILE A 55 31.494 11.176 -1.353 1.00 47.25 C ATOM 344 CG1 ILE A 55 30.476 10.052 -1.168 1.00 48.21 C ATOM 345 CG2 ILE A 55 32.240 11.463 -0.028 1.00 51.56 C ATOM 346 CD1 ILE A 55 30.990 8.803 -0.472 1.00 53.42 C ATOM 347 H ILE A 55 32.611 13.573 -1.869 1.00 0.00 H ATOM 348 N PHE A 56 28.593 12.784 -0.962 1.00 39.50 N ATOM 349 CA PHE A 56 27.619 13.285 -0.007 1.00 37.50 C ATOM 350 C PHE A 56 26.812 12.113 0.410 1.00 36.45 C ATOM 351 O PHE A 56 26.378 11.286 -0.415 1.00 36.30 O ATOM 352 CB PHE A 56 26.699 14.339 -0.613 1.00 35.64 C ATOM 353 CG PHE A 56 27.392 15.542 -1.183 1.00 37.06 C ATOM 354 CD1 PHE A 56 27.728 16.608 -0.364 1.00 36.82 C ATOM 355 CD2 PHE A 56 27.676 15.620 -2.532 1.00 37.02 C ATOM 356 CE1 PHE A 56 28.360 17.714 -0.865 1.00 39.81 C ATOM 357 CE2 PHE A 56 28.317 16.759 -3.046 1.00 38.54 C ATOM 358 CZ PHE A 56 28.618 17.815 -2.201 1.00 38.41 C ATOM 359 H PHE A 56 28.263 12.188 -1.748 1.00 0.00 H ATOM 360 N ARG A 57 26.532 12.090 1.699 1.00 37.33 N ATOM 361 CA ARG A 57 25.543 11.119 2.221 1.00 40.36 C ATOM 362 C ARG A 57 24.299 11.929 2.469 1.00 36.59 C ATOM 363 O ARG A 57 24.261 12.790 3.374 1.00 37.12 O ATOM 364 CB ARG A 57 26.071 10.440 3.453 1.00 46.10 C ATOM 365 CG ARG A 57 27.450 9.824 3.190 1.00 54.10 C ATOM 366 CD ARG A 57 28.331 9.801 4.411 1.00 62.33 C ATOM 367 NE ARG A 57 27.823 8.742 5.253 1.00 69.64 N ATOM 368 CZ ARG A 57 27.866 8.726 6.583 1.00 73.24 C ATOM 369 NH1 ARG A 57 28.342 9.752 7.304 1.00 75.35 N ATOM 370 NH2 ARG A 57 27.405 7.649 7.208 1.00 75.07 N ATOM 371 HE ARG A 57 27.388 7.924 4.780 1.00 0.00 H ATOM 372 HH12 ARG A 57 28.356 9.695 8.342 1.00 0.00 H ATOM 373 HH11 ARG A 57 28.697 10.604 6.825 1.00 0.00 H ATOM 374 HH22 ARG A 57 27.423 7.603 8.247 1.00 0.00 H ATOM 375 HH21 ARG A 57 27.025 6.852 6.659 1.00 0.00 H ATOM 376 H ARG A 57 27.005 12.752 2.347 1.00 0.00 H ATOM 377 N VAL A 58 23.306 11.701 1.620 1.00 36.54 N ATOM 378 CA VAL A 58 22.141 12.538 1.545 1.00 37.49 C ATOM 379 C VAL A 58 21.009 11.796 2.225 1.00 39.25 C ATOM 380 O VAL A 58 20.761 10.621 1.915 1.00 42.17 O ATOM 381 CB VAL A 58 21.777 12.821 0.111 1.00 36.85 C ATOM 382 CG1 VAL A 58 20.520 13.623 0.025 1.00 37.60 C ATOM 383 CG2 VAL A 58 22.904 13.585 -0.534 1.00 39.29 C ATOM 384 H VAL A 58 23.374 10.882 0.982 1.00 0.00 H ATOM 385 N TRP A 59 20.334 12.501 3.161 1.00 35.59 N ATOM 386 CA TRP A 59 19.127 12.013 3.764 1.00 38.24 C ATOM 387 C TRP A 59 17.971 12.794 3.131 1.00 35.79 C ATOM 388 O TRP A 59 18.006 14.041 3.036 1.00 34.98 O ATOM 389 CB TRP A 59 19.132 12.231 5.244 1.00 40.26 C ATOM 390 CG TRP A 59 19.810 11.225 6.047 1.00 42.78 C ATOM 391 CD1 TRP A 59 20.307 10.039 5.659 1.00 48.83 C ATOM 392 CD2 TRP A 59 20.040 11.306 7.454 1.00 45.65 C ATOM 393 NE1 TRP A 59 20.869 9.363 6.737 1.00 48.53 N ATOM 394 CE2 TRP A 59 20.679 10.121 7.854 1.00 47.63 C ATOM 395 CE3 TRP A 59 19.821 12.298 8.409 1.00 50.87 C ATOM 396 CZ2 TRP A 59 21.060 9.879 9.171 1.00 53.55 C ATOM 397 CZ3 TRP A 59 20.204 12.051 9.729 1.00 55.99 C ATOM 398 CH2 TRP A 59 20.823 10.861 10.089 1.00 53.07 C ATOM 399 HE1 TRP A 59 21.350 8.442 6.698 1.00 0.00 H ATOM 400 H TRP A 59 20.702 13.428 3.454 1.00 0.00 H ATOM 401 N CYS A 60 16.935 12.069 2.730 1.00 34.81 N ATOM 402 CA CYS A 60 15.761 12.689 2.151 1.00 35.77 C ATOM 403 C CYS A 60 14.732 13.011 3.218 1.00 36.82 C ATOM 404 O CYS A 60 14.433 12.171 4.112 1.00 37.59 O ATOM 405 CB CYS A 60 15.140 11.768 1.126 1.00 36.95 C ATOM 406 SG CYS A 60 16.294 11.447 -0.237 1.00 43.49 S ATOM 407 H CYS A 60 16.966 11.035 2.833 1.00 0.00 H ATOM 408 N PHE A 61 14.158 14.219 3.108 1.00 36.39 N ATOM 409 CA PHE A 61 13.188 14.697 4.060 1.00 34.94 C ATOM 410 C PHE A 61 12.027 15.245 3.272 1.00 35.96 C ATOM 411 O PHE A 61 12.210 15.925 2.221 1.00 34.08 O ATOM 412 CB PHE A 61 13.773 15.847 4.878 1.00 33.70 C ATOM 413 CG PHE A 61 14.789 15.436 5.880 1.00 33.82 C ATOM 414 CD1 PHE A 61 16.115 15.376 5.532 1.00 33.18 C ATOM 415 CD2 PHE A 61 14.450 15.169 7.209 1.00 33.99 C ATOM 416 CE1 PHE A 61 17.095 15.057 6.455 1.00 31.32 C ATOM 417 CE2 PHE A 61 15.408 14.814 8.127 1.00 35.10 C ATOM 418 CZ PHE A 61 16.773 14.793 7.742 1.00 34.66 C ATOM 419 H PHE A 61 14.422 14.830 2.309 1.00 0.00 H ATOM 420 N SER A 62 10.814 14.948 3.770 1.00 37.60 N ATOM 421 CA SER A 62 9.625 15.542 3.201 1.00 37.58 C ATOM 422 C SER A 62 9.547 17.021 3.411 1.00 35.76 C ATOM 423 O SER A 62 8.894 17.718 2.624 1.00 34.27 O ATOM 424 CB SER A 62 8.377 14.894 3.830 1.00 41.83 C ATOM 425 OG SER A 62 8.342 13.521 3.418 1.00 46.36 O ATOM 426 HG SER A 62 7.547 13.080 3.810 1.00 0.00 H ATOM 427 H SER A 62 10.731 14.287 4.569 1.00 0.00 H ATOM 428 N LEU A 63 10.064 17.490 4.546 1.00 33.34 N ATOM 429 CA LEU A 63 9.947 18.880 4.936 1.00 34.77 C ATOM 430 C LEU A 63 11.219 19.333 5.600 1.00 32.63 C ATOM 431 O LEU A 63 11.885 18.546 6.276 1.00 31.17 O ATOM 432 CB LEU A 63 8.852 18.910 5.989 1.00 39.88 C ATOM 433 CG LEU A 63 8.066 20.030 6.503 1.00 43.97 C ATOM 434 CD1 LEU A 63 7.723 20.836 5.307 1.00 45.52 C ATOM 435 CD2 LEU A 63 6.848 19.493 7.205 1.00 45.02 C ATOM 436 H LEU A 63 10.570 16.834 5.175 1.00 0.00 H ATOM 437 N ALA A 64 11.485 20.608 5.533 1.00 32.68 N ATOM 438 CA ALA A 64 12.595 21.249 6.258 1.00 32.35 C ATOM 439 C ALA A 64 12.244 22.701 6.380 1.00 33.05 C ATOM 440 O ALA A 64 11.364 23.192 5.676 1.00 35.86 O ATOM 441 CB ALA A 64 13.894 21.067 5.491 1.00 31.01 C ATOM 442 H ALA A 64 10.880 21.205 4.934 1.00 0.00 H ATOM 443 N GLN A 65 12.950 23.379 7.254 1.00 29.86 N ATOM 444 CA GLN A 65 12.788 24.808 7.508 1.00 32.74 C ATOM 445 C GLN A 65 14.155 25.412 7.745 1.00 28.74 C ATOM 446 O GLN A 65 15.148 24.662 7.841 1.00 29.58 O ATOM 447 CB GLN A 65 11.924 25.027 8.752 1.00 36.80 C ATOM 448 CG GLN A 65 12.532 24.398 10.021 1.00 39.22 C ATOM 449 CD GLN A 65 11.602 24.438 11.220 1.00 48.42 C ATOM 450 OE1 GLN A 65 11.495 25.464 11.847 1.00 54.11 O ATOM 451 NE2 GLN A 65 10.976 23.300 11.576 1.00 54.07 N ATOM 452 HE22 GLN A 65 11.098 22.439 11.005 1.00 0.00 H ATOM 453 HE21 GLN A 65 10.371 23.282 12.422 1.00 0.00 H ATOM 454 H GLN A 65 13.671 22.866 7.801 1.00 0.00 H ATOM 455 N GLY A 66 14.230 26.720 7.804 1.00 30.20 N ATOM 456 CA GLY A 66 15.471 27.421 8.201 1.00 30.00 C ATOM 457 C GLY A 66 16.540 27.468 7.100 1.00 30.60 C ATOM 458 O GLY A 66 17.663 27.893 7.333 1.00 32.26 O ATOM 459 H GLY A 66 13.389 27.283 7.564 1.00 0.00 H ATOM 460 N LEU A 67 16.191 27.047 5.907 1.00 30.84 N ATOM 461 CA LEU A 67 17.080 27.010 4.753 1.00 32.04 C ATOM 462 C LEU A 67 16.832 28.253 3.930 1.00 33.58 C ATOM 463 O LEU A 67 15.841 28.958 4.098 1.00 33.06 O ATOM 464 CB LEU A 67 16.839 25.762 3.878 1.00 28.89 C ATOM 465 CG LEU A 67 17.099 24.450 4.611 1.00 29.02 C ATOM 466 CD1 LEU A 67 16.471 23.259 3.894 1.00 30.56 C ATOM 467 CD2 LEU A 67 18.584 24.176 4.835 1.00 31.11 C ATOM 468 H LEU A 67 15.213 26.717 5.776 1.00 0.00 H ATOM 469 N ARG A 68 17.774 28.517 3.042 1.00 32.33 N ATOM 470 CA ARG A 68 17.623 29.520 2.015 1.00 34.77 C ATOM 471 C ARG A 68 17.938 28.804 0.711 1.00 34.13 C ATOM 472 O ARG A 68 19.050 28.280 0.539 1.00 31.19 O ATOM 473 CB ARG A 68 18.575 30.692 2.251 1.00 38.39 C ATOM 474 CG ARG A 68 18.525 31.741 1.191 1.00 44.86 C ATOM 475 CD ARG A 68 19.135 33.035 1.728 1.00 52.76 C ATOM 476 NE ARG A 68 20.593 32.945 1.923 1.00 52.71 N ATOM 477 CZ ARG A 68 21.516 33.266 1.005 1.00 58.92 C ATOM 478 NH1 ARG A 68 21.188 33.694 -0.225 1.00 60.65 N ATOM 479 NH2 ARG A 68 22.818 33.194 1.323 1.00 62.62 N ATOM 480 HE ARG A 68 20.933 32.606 2.846 1.00 0.00 H ATOM 481 HH12 ARG A 68 21.934 33.933 -0.909 1.00 0.00 H ATOM 482 HH11 ARG A 68 20.188 33.786 -0.494 1.00 0.00 H ATOM 483 HH22 ARG A 68 23.540 33.441 0.617 1.00 0.00 H ATOM 484 HH21 ARG A 68 23.105 32.891 2.276 1.00 0.00 H ATOM 485 H ARG A 68 18.663 27.979 3.085 1.00 0.00 H ATOM 486 N LEU A 69 16.958 28.761 -0.189 1.00 34.21 N ATOM 487 CA LEU A 69 17.151 28.085 -1.491 1.00 36.43 C ATOM 488 C LEU A 69 17.662 29.070 -2.485 1.00 38.31 C ATOM 489 O LEU A 69 17.123 30.170 -2.593 1.00 42.84 O ATOM 490 CB LEU A 69 15.873 27.426 -1.998 1.00 35.98 C ATOM 491 CG LEU A 69 15.182 26.551 -0.960 1.00 36.48 C ATOM 492 CD1 LEU A 69 13.928 25.896 -1.475 1.00 39.85 C ATOM 493 CD2 LEU A 69 16.098 25.475 -0.468 1.00 36.86 C ATOM 494 H LEU A 69 16.044 29.209 0.026 1.00 0.00 H ATOM 495 N ILE A 70 18.717 28.735 -3.198 1.00 40.19 N ATOM 496 CA ILE A 70 19.399 29.732 -4.046 1.00 43.11 C ATOM 497 C ILE A 70 19.452 29.263 -5.493 1.00 44.78 C ATOM 498 O ILE A 70 19.574 28.067 -5.778 1.00 44.15 O ATOM 499 CB ILE A 70 20.829 30.071 -3.576 1.00 43.69 C ATOM 500 CG1 ILE A 70 21.738 28.880 -3.540 1.00 45.51 C ATOM 501 CG2 ILE A 70 20.807 30.621 -2.170 1.00 43.88 C ATOM 502 CD1 ILE A 70 23.215 29.239 -3.602 1.00 46.55 C ATOM 503 H ILE A 70 19.073 27.758 -3.163 1.00 0.00 H ATOM 504 N GLY A 71 19.347 30.246 -6.382 1.00 49.98 N ATOM 505 CA GLY A 71 19.486 30.054 -7.809 1.00 53.66 C ATOM 506 C GLY A 71 18.242 29.482 -8.439 1.00 54.56 C ATOM 507 O GLY A 71 17.205 29.336 -7.792 1.00 59.54 O ATOM 508 H GLY A 71 19.154 31.206 -6.032 1.00 0.00 H ATOM 509 N ALA A 72 18.367 29.121 -9.699 1.00 57.56 N ATOM 510 CA ALA A 72 17.228 28.641 -10.479 1.00 57.36 C ATOM 511 C ALA A 72 17.308 27.121 -10.449 1.00 51.72 C ATOM 512 O ALA A 72 18.395 26.611 -10.468 1.00 49.40 O ATOM 513 CB ALA A 72 17.343 29.170 -11.902 1.00 60.64 C ATOM 514 H ALA A 72 19.302 29.179 -10.152 1.00 0.00 H ATOM 515 N PRO A 73 16.164 26.407 -10.466 1.00 48.77 N ATOM 516 CA PRO A 73 16.275 24.938 -10.523 1.00 44.63 C ATOM 517 C PRO A 73 17.037 24.434 -11.748 1.00 44.32 C ATOM 518 O PRO A 73 16.994 25.064 -12.840 1.00 44.15 O ATOM 519 CB PRO A 73 14.823 24.449 -10.562 1.00 45.71 C ATOM 520 CG PRO A 73 14.015 25.596 -10.074 1.00 46.18 C ATOM 521 CD PRO A 73 14.755 26.845 -10.487 1.00 47.85 C ATOM 522 N SER A 74 17.732 23.309 -11.582 1.00 40.80 N ATOM 523 CA SER A 74 18.512 22.733 -12.659 1.00 39.92 C ATOM 524 C SER A 74 18.303 21.239 -12.616 1.00 38.63 C ATOM 525 O SER A 74 18.336 20.635 -11.523 1.00 37.82 O ATOM 526 CB SER A 74 20.018 23.045 -12.465 1.00 40.25 C ATOM 527 OG SER A 74 20.766 22.373 -13.478 1.00 41.92 O ATOM 528 HG SER A 74 21.729 22.568 -13.360 1.00 0.00 H ATOM 529 H SER A 74 17.714 22.833 -10.657 1.00 0.00 H ATOM 530 N GLY A 75 18.116 20.633 -13.774 1.00 38.03 N ATOM 531 CA GLY A 75 18.086 19.172 -13.899 1.00 39.28 C ATOM 532 C GLY A 75 19.480 18.577 -14.038 1.00 40.72 C ATOM 533 O GLY A 75 19.636 17.376 -13.912 1.00 38.56 O ATOM 534 H GLY A 75 17.985 21.212 -14.628 1.00 0.00 H ATOM 535 N GLU A 76 20.489 19.405 -14.318 1.00 44.49 N ATOM 536 CA GLU A 76 21.829 18.899 -14.710 1.00 47.74 C ATOM 537 C GLU A 76 22.425 18.040 -13.586 1.00 43.22 C ATOM 538 O GLU A 76 22.427 18.427 -12.422 1.00 41.73 O ATOM 539 CB GLU A 76 22.784 20.054 -15.000 1.00 53.38 C ATOM 540 CG GLU A 76 22.455 20.768 -16.285 1.00 61.10 C ATOM 541 CD GLU A 76 23.159 22.126 -16.419 1.00 70.61 C ATOM 542 OE1 GLU A 76 24.271 22.291 -15.847 1.00 78.82 O ATOM 543 OE2 GLU A 76 22.612 23.036 -17.108 1.00 76.70 O ATOM 544 H GLU A 76 20.333 20.432 -14.260 1.00 0.00 H ATOM 545 N PHE A 77 22.804 16.826 -13.952 1.00 42.94 N ATOM 546 CA PHE A 77 23.416 15.857 -13.040 1.00 42.63 C ATOM 547 C PHE A 77 22.512 15.449 -11.875 1.00 41.28 C ATOM 548 O PHE A 77 23.005 14.940 -10.859 1.00 38.20 O ATOM 549 CB PHE A 77 24.746 16.401 -12.439 1.00 43.85 C ATOM 550 CG PHE A 77 25.666 17.010 -13.444 1.00 47.90 C ATOM 551 CD1 PHE A 77 26.298 16.218 -14.344 1.00 49.94 C ATOM 552 CD2 PHE A 77 25.912 18.370 -13.456 1.00 50.29 C ATOM 553 CE1 PHE A 77 27.157 16.753 -15.303 1.00 54.51 C ATOM 554 CE2 PHE A 77 26.749 18.940 -14.403 1.00 52.21 C ATOM 555 CZ PHE A 77 27.374 18.128 -15.332 1.00 54.31 C ATOM 556 H PHE A 77 22.659 16.544 -14.943 1.00 0.00 H ATOM 557 N SER A 78 21.203 15.661 -11.978 1.00 38.12 N ATOM 558 CA SER A 78 20.342 15.363 -10.877 1.00 36.41 C ATOM 559 C SER A 78 20.480 13.907 -10.474 1.00 36.33 C ATOM 560 O SER A 78 20.470 13.029 -11.310 1.00 36.42 O ATOM 561 CB SER A 78 18.881 15.654 -11.156 1.00 36.01 C ATOM 562 OG SER A 78 18.129 15.326 -10.015 1.00 34.33 O ATOM 563 HG SER A 78 17.172 15.513 -10.187 1.00 0.00 H ATOM 564 H SER A 78 20.806 16.044 -12.860 1.00 0.00 H ATOM 565 N TRP A 79 20.565 13.666 -9.168 1.00 36.01 N ATOM 566 CA TRP A 79 20.664 12.323 -8.645 1.00 37.54 C ATOM 567 C TRP A 79 19.315 11.650 -8.556 1.00 40.96 C ATOM 568 O TRP A 79 19.255 10.464 -8.273 1.00 41.81 O ATOM 569 CB TRP A 79 21.279 12.321 -7.247 1.00 38.74 C ATOM 570 CG TRP A 79 22.666 12.771 -7.202 1.00 37.19 C ATOM 571 CD1 TRP A 79 23.704 12.328 -7.939 1.00 38.79 C ATOM 572 CD2 TRP A 79 23.167 13.770 -6.348 1.00 37.61 C ATOM 573 NE1 TRP A 79 24.861 13.000 -7.589 1.00 40.08 N ATOM 574 CE2 TRP A 79 24.553 13.881 -6.591 1.00 37.80 C ATOM 575 CE3 TRP A 79 22.591 14.575 -5.358 1.00 35.58 C ATOM 576 CZ2 TRP A 79 25.345 14.774 -5.893 1.00 36.49 C ATOM 577 CZ3 TRP A 79 23.374 15.443 -4.677 1.00 35.14 C ATOM 578 CH2 TRP A 79 24.734 15.555 -4.949 1.00 35.56 C ATOM 579 HE1 TRP A 79 25.801 12.859 -8.011 1.00 0.00 H ATOM 580 H TRP A 79 20.560 14.467 -8.505 1.00 0.00 H ATOM 581 N PHE A 80 18.214 12.386 -8.709 1.00 39.48 N ATOM 582 CA PHE A 80 16.903 11.800 -8.511 1.00 39.09 C ATOM 583 C PHE A 80 16.128 12.026 -9.804 1.00 39.05 C ATOM 584 O PHE A 80 15.894 13.164 -10.226 1.00 37.32 O ATOM 585 CB PHE A 80 16.217 12.410 -7.305 1.00 39.33 C ATOM 586 CG PHE A 80 16.965 12.206 -6.020 1.00 41.46 C ATOM 587 CD1 PHE A 80 17.912 13.112 -5.599 1.00 38.39 C ATOM 588 CD2 PHE A 80 16.689 11.104 -5.208 1.00 44.54 C ATOM 589 CE1 PHE A 80 18.599 12.927 -4.397 1.00 40.40 C ATOM 590 CE2 PHE A 80 17.387 10.902 -4.018 1.00 43.45 C ATOM 591 CZ PHE A 80 18.319 11.820 -3.599 1.00 40.88 C ATOM 592 H PHE A 80 18.296 13.389 -8.973 1.00 0.00 H ATOM 593 N LYS A 81 15.793 10.927 -10.446 1.00 43.55 N ATOM 594 CA LYS A 81 15.181 10.937 -11.766 1.00 44.09 C ATOM 595 C LYS A 81 13.916 11.766 -11.730 1.00 43.55 C ATOM 596 O LYS A 81 13.091 11.547 -10.868 1.00 43.34 O ATOM 597 CB LYS A 81 14.899 9.511 -12.192 1.00 51.22 C ATOM 598 CG LYS A 81 14.301 9.345 -13.579 1.00 58.78 C ATOM 599 CD LYS A 81 14.014 7.857 -13.834 1.00 67.47 C ATOM 600 CE LYS A 81 12.738 7.387 -13.128 1.00 70.82 C ATOM 601 NZ LYS A 81 12.929 6.090 -12.410 1.00 75.11 N ATOM 602 HZ1 LYS A 81 13.209 5.356 -13.091 1.00 0.00 H ATOM 603 HZ2 LYS A 81 13.673 6.199 -11.691 1.00 0.00 H ATOM 604 HZ3 LYS A 81 12.038 5.816 -11.949 1.00 0.00 H ATOM 605 H LYS A 81 15.974 10.010 -9.989 1.00 0.00 H ATOM 606 N GLY A 82 13.774 12.716 -12.664 1.00 43.32 N ATOM 607 CA GLY A 82 12.562 13.528 -12.815 1.00 42.88 C ATOM 608 C GLY A 82 12.570 14.806 -11.968 1.00 41.95 C ATOM 609 O GLY A 82 11.729 15.681 -12.186 1.00 42.34 O ATOM 610 H GLY A 82 14.565 12.887 -13.317 1.00 0.00 H ATOM 611 N TYR A 83 13.608 15.021 -11.142 1.00 37.91 N ATOM 612 CA TYR A 83 13.667 16.191 -10.276 1.00 36.38 C ATOM 613 C TYR A 83 14.757 17.129 -10.669 1.00 36.55 C ATOM 614 O TYR A 83 15.858 16.692 -11.040 1.00 36.91 O ATOM 615 CB TYR A 83 13.863 15.815 -8.838 1.00 37.38 C ATOM 616 CG TYR A 83 12.768 15.009 -8.234 1.00 38.44 C ATOM 617 CD1 TYR A 83 12.826 13.628 -8.286 1.00 41.71 C ATOM 618 CD2 TYR A 83 11.687 15.606 -7.567 1.00 38.27 C ATOM 619 CE1 TYR A 83 11.835 12.819 -7.732 1.00 41.01 C ATOM 620 CE2 TYR A 83 10.683 14.837 -7.056 1.00 38.80 C ATOM 621 CZ TYR A 83 10.756 13.424 -7.173 1.00 41.01 C ATOM 622 OH TYR A 83 9.813 12.640 -6.588 1.00 41.84 O ATOM 623 HH TYR A 83 8.923 12.864 -6.959 1.00 0.00 H ATOM 624 H TYR A 83 14.389 14.335 -11.120 1.00 0.00 H ATOM 625 N ASP A 84 14.446 18.419 -10.564 1.00 35.01 N ATOM 626 CA ASP A 84 15.399 19.488 -10.698 1.00 36.46 C ATOM 627 C ASP A 84 15.767 19.966 -9.283 1.00 36.26 C ATOM 628 O ASP A 84 14.959 19.861 -8.366 1.00 36.71 O ATOM 629 CB ASP A 84 14.787 20.655 -11.451 1.00 38.07 C ATOM 630 CG ASP A 84 14.317 20.261 -12.836 1.00 40.41 C ATOM 631 OD1 ASP A 84 15.109 19.670 -13.543 1.00 43.54 O ATOM 632 OD2 ASP A 84 13.082 20.445 -13.150 1.00 42.51 O ATOM 633 H ASP A 84 13.455 18.669 -10.374 1.00 0.00 H ATOM 634 N TRP A 85 17.004 20.424 -9.106 1.00 36.16 N ATOM 635 CA TRP A 85 17.476 20.790 -7.775 1.00 33.42 C ATOM 636 C TRP A 85 17.784 22.257 -7.706 1.00 33.25 C ATOM 637 O TRP A 85 18.172 22.895 -8.714 1.00 32.83 O ATOM 638 CB TRP A 85 18.712 19.964 -7.325 1.00 33.56 C ATOM 639 CG TRP A 85 19.821 19.904 -8.339 1.00 34.01 C ATOM 640 CD1 TRP A 85 20.031 18.945 -9.258 1.00 34.89 C ATOM 641 CD2 TRP A 85 20.866 20.854 -8.503 1.00 34.96 C ATOM 642 NE1 TRP A 85 21.119 19.260 -10.063 1.00 36.33 N ATOM 643 CE2 TRP A 85 21.652 20.430 -9.610 1.00 37.48 C ATOM 644 CE3 TRP A 85 21.193 22.053 -7.858 1.00 34.71 C ATOM 645 CZ2 TRP A 85 22.749 21.162 -10.090 1.00 39.27 C ATOM 646 CZ3 TRP A 85 22.324 22.758 -8.336 1.00 37.82 C ATOM 647 CH2 TRP A 85 23.078 22.301 -9.444 1.00 38.45 C ATOM 648 HE1 TRP A 85 21.466 18.702 -10.869 1.00 0.00 H ATOM 649 H TRP A 85 17.640 20.522 -9.923 1.00 0.00 H ATOM 650 N THR A 86 17.655 22.759 -6.487 1.00 32.32 N ATOM 651 CA THR A 86 18.186 24.069 -6.123 1.00 33.88 C ATOM 652 C THR A 86 19.038 23.856 -4.883 1.00 33.47 C ATOM 653 O THR A 86 18.734 23.004 -4.069 1.00 34.07 O ATOM 654 CB THR A 86 17.080 25.069 -5.819 1.00 34.01 C ATOM 655 OG1 THR A 86 16.303 24.569 -4.738 1.00 34.87 O ATOM 656 CG2 THR A 86 16.190 25.253 -7.032 1.00 33.66 C ATOM 657 HG1 THR A 86 16.882 24.453 -3.943 1.00 0.00 H ATOM 658 H THR A 86 17.158 22.200 -5.764 1.00 0.00 H ATOM 659 N ILE A 87 20.114 24.600 -4.773 1.00 33.12 N ATOM 660 CA ILE A 87 21.005 24.496 -3.638 1.00 33.07 C ATOM 661 C ILE A 87 20.296 25.072 -2.390 1.00 31.48 C ATOM 662 O ILE A 87 19.716 26.152 -2.451 1.00 32.49 O ATOM 663 CB ILE A 87 22.286 25.265 -3.912 1.00 36.12 C ATOM 664 CG1 ILE A 87 23.099 24.558 -5.023 1.00 37.80 C ATOM 665 CG2 ILE A 87 23.138 25.361 -2.651 1.00 37.06 C ATOM 666 CD1 ILE A 87 23.992 25.504 -5.810 1.00 41.09 C ATOM 667 H ILE A 87 20.333 25.285 -5.525 1.00 0.00 H ATOM 668 N ALA A 88 20.358 24.339 -1.285 1.00 29.38 N ATOM 669 CA ALA A 88 19.813 24.752 0.003 1.00 28.21 C ATOM 670 C ALA A 88 20.950 25.097 0.956 1.00 28.63 C ATOM 671 O ALA A 88 21.792 24.245 1.321 1.00 30.56 O ATOM 672 CB ALA A 88 19.008 23.651 0.579 1.00 28.20 C ATOM 673 H ALA A 88 20.825 23.411 -1.341 1.00 0.00 H ATOM 674 N LEU A 89 21.052 26.374 1.295 1.00 28.90 N ATOM 675 CA LEU A 89 21.962 26.844 2.345 1.00 29.94 C ATOM 676 C LEU A 89 21.229 26.926 3.687 1.00 30.00 C ATOM 677 O LEU A 89 19.994 27.115 3.736 1.00 28.26 O ATOM 678 CB LEU A 89 22.500 28.195 1.980 1.00 30.77 C ATOM 679 CG LEU A 89 23.112 28.288 0.585 1.00 31.32 C ATOM 680 CD1 LEU A 89 23.719 29.675 0.438 1.00 33.86 C ATOM 681 CD2 LEU A 89 24.229 27.274 0.435 1.00 31.06 C ATOM 682 H LEU A 89 20.463 27.071 0.796 1.00 0.00 H ATOM 683 N CYS A 90 21.984 26.811 4.777 1.00 27.80 N ATOM 684 CA CYS A 90 21.479 27.262 6.052 1.00 27.05 C ATOM 685 C CYS A 90 21.115 28.713 5.929 1.00 25.77 C ATOM 686 O CYS A 90 21.981 29.534 5.544 1.00 26.87 O ATOM 687 CB CYS A 90 22.537 27.045 7.134 1.00 27.44 C ATOM 688 SG CYS A 90 21.996 27.603 8.768 1.00 29.03 S ATOM 689 H CYS A 90 22.936 26.397 4.710 1.00 0.00 H ATOM 690 N GLY A 91 19.877 29.055 6.301 1.00 26.04 N ATOM 691 CA GLY A 91 19.403 30.437 6.247 1.00 28.35 C ATOM 692 C GLY A 91 20.084 31.354 7.220 1.00 29.85 C ATOM 693 O GLY A 91 20.051 32.583 7.046 1.00 31.60 O ATOM 694 H GLY A 91 19.230 28.314 6.640 1.00 0.00 H ATOM 695 N GLN A 92 20.726 30.775 8.222 1.00 28.99 N ATOM 696 CA GLN A 92 21.352 31.552 9.244 1.00 30.42 C ATOM 697 C GLN A 92 22.817 31.792 8.928 1.00 30.99 C ATOM 698 O GLN A 92 23.277 32.945 8.882 1.00 31.93 O ATOM 699 CB GLN A 92 21.148 30.848 10.592 1.00 30.19 C ATOM 700 CG GLN A 92 21.703 31.614 11.791 1.00 30.96 C ATOM 701 CD GLN A 92 21.036 31.159 13.109 1.00 30.22 C ATOM 702 OE1 GLN A 92 20.074 31.836 13.560 1.00 29.92 O ATOM 703 NE2 GLN A 92 21.540 30.099 13.752 1.00 28.55 N ATOM 704 HE22 GLN A 92 22.335 29.571 13.340 1.00 0.00 H ATOM 705 HE21 GLN A 92 21.136 29.804 14.664 1.00 0.00 H ATOM 706 H GLN A 92 20.776 29.737 8.266 1.00 0.00 H ATOM 707 N CYS A 93 23.579 30.714 8.734 1.00 29.60 N ATOM 708 CA CYS A 93 24.996 30.835 8.570 1.00 31.71 C ATOM 709 C CYS A 93 25.527 30.668 7.159 1.00 31.55 C ATOM 710 O CYS A 93 26.683 30.957 6.929 1.00 31.83 O ATOM 711 CB CYS A 93 25.749 29.890 9.475 1.00 30.62 C ATOM 712 SG CYS A 93 25.780 28.156 8.935 1.00 30.51 S ATOM 713 H CYS A 93 23.137 29.773 8.701 1.00 0.00 H ATOM 714 N GLY A 94 24.700 30.239 6.228 1.00 31.68 N ATOM 715 CA GLY A 94 25.131 30.128 4.821 1.00 33.88 C ATOM 716 C GLY A 94 25.810 28.783 4.477 1.00 33.81 C ATOM 717 O GLY A 94 26.130 28.557 3.335 1.00 34.66 O ATOM 718 H GLY A 94 23.728 29.974 6.488 1.00 0.00 H ATOM 719 N SER A 95 25.940 27.861 5.438 1.00 32.60 N ATOM 720 CA SER A 95 26.547 26.539 5.190 1.00 31.85 C ATOM 721 C SER A 95 25.727 25.787 4.161 1.00 30.35 C ATOM 722 O SER A 95 24.496 25.811 4.210 1.00 29.01 O ATOM 723 CB SER A 95 26.583 25.717 6.477 1.00 31.26 C ATOM 724 OG SER A 95 27.083 24.392 6.315 1.00 29.70 O ATOM 725 HG SER A 95 27.074 23.928 7.189 1.00 0.00 H ATOM 726 H SER A 95 25.601 28.084 6.395 1.00 0.00 H ATOM 727 N HIS A 96 26.391 25.096 3.226 1.00 30.15 N ATOM 728 CA HIS A 96 25.670 24.274 2.266 1.00 29.93 C ATOM 729 C HIS A 96 25.123 23.013 2.949 1.00 29.71 C ATOM 730 O HIS A 96 25.867 22.126 3.332 1.00 30.23 O ATOM 731 CB HIS A 96 26.619 23.934 1.133 1.00 33.28 C ATOM 732 CG HIS A 96 25.977 23.061 0.104 1.00 34.40 C ATOM 733 ND1 HIS A 96 26.679 22.094 -0.581 1.00 35.77 N ATOM 734 CD2 HIS A 96 24.679 22.963 -0.293 1.00 31.94 C ATOM 735 CE1 HIS A 96 25.841 21.481 -1.397 1.00 35.08 C ATOM 736 NE2 HIS A 96 24.634 21.965 -1.215 1.00 33.98 N ATOM 737 H HIS A 96 27.429 25.147 3.186 1.00 0.00 H ATOM 738 N LEU A 97 23.814 22.920 3.088 1.00 27.96 N ATOM 739 CA LEU A 97 23.178 21.811 3.795 1.00 27.18 C ATOM 740 C LEU A 97 22.552 20.788 2.888 1.00 28.45 C ATOM 741 O LEU A 97 22.274 19.698 3.314 1.00 28.94 O ATOM 742 CB LEU A 97 22.138 22.334 4.770 1.00 28.58 C ATOM 743 CG LEU A 97 22.649 23.113 5.965 1.00 28.93 C ATOM 744 CD1 LEU A 97 21.493 23.307 6.941 1.00 28.14 C ATOM 745 CD2 LEU A 97 23.863 22.574 6.652 1.00 29.88 C ATOM 746 H LEU A 97 23.213 23.664 2.679 1.00 0.00 H ATOM 747 N GLY A 98 22.401 21.103 1.612 1.00 29.67 N ATOM 748 CA GLY A 98 21.905 20.128 0.641 1.00 29.87 C ATOM 749 C GLY A 98 21.183 20.788 -0.507 1.00 27.87 C ATOM 750 O GLY A 98 21.656 21.804 -1.044 1.00 29.08 O ATOM 751 H GLY A 98 22.640 22.064 1.293 1.00 0.00 H ATOM 752 N TRP A 99 20.085 20.173 -0.909 1.00 27.76 N ATOM 753 CA TRP A 99 19.328 20.578 -2.083 1.00 29.40 C ATOM 754 C TRP A 99 17.838 20.459 -1.823 1.00 29.61 C ATOM 755 O TRP A 99 17.404 19.574 -1.076 1.00 31.04 O ATOM 756 CB TRP A 99 19.715 19.704 -3.307 1.00 30.39 C ATOM 757 CG TRP A 99 21.174 19.761 -3.614 1.00 30.08 C ATOM 758 CD1 TRP A 99 21.799 20.599 -4.487 1.00 31.88 C ATOM 759 CD2 TRP A 99 22.180 18.961 -3.031 1.00 31.60 C ATOM 760 NE1 TRP A 99 23.158 20.371 -4.455 1.00 33.79 N ATOM 761 CE2 TRP A 99 23.408 19.358 -3.577 1.00 31.44 C ATOM 762 CE3 TRP A 99 22.174 17.930 -2.081 1.00 30.99 C ATOM 763 CZ2 TRP A 99 24.599 18.779 -3.190 1.00 35.55 C ATOM 764 CZ3 TRP A 99 23.390 17.397 -1.679 1.00 32.21 C ATOM 765 CH2 TRP A 99 24.564 17.832 -2.214 1.00 32.40 C ATOM 766 HE1 TRP A 99 23.873 20.885 -5.008 1.00 0.00 H ATOM 767 H TRP A 99 19.745 19.359 -0.359 1.00 0.00 H ATOM 768 N HIS A 100 17.074 21.313 -2.482 1.00 29.82 N ATOM 769 CA HIS A 100 15.616 21.117 -2.582 1.00 31.20 C ATOM 770 C HIS A 100 15.342 20.587 -4.003 1.00 31.64 C ATOM 771 O HIS A 100 15.891 21.111 -4.992 1.00 33.27 O ATOM 772 CB HIS A 100 14.858 22.413 -2.374 1.00 33.39 C ATOM 773 CG HIS A 100 13.377 22.249 -2.374 1.00 34.71 C ATOM 774 ND1 HIS A 100 12.561 22.766 -3.359 1.00 39.53 N ATOM 775 CD2 HIS A 100 12.559 21.578 -1.516 1.00 35.99 C ATOM 776 CE1 HIS A 100 11.297 22.434 -3.094 1.00 38.58 C ATOM 777 NE2 HIS A 100 11.279 21.697 -1.989 1.00 37.33 N ATOM 778 H HIS A 100 17.510 22.139 -2.939 1.00 0.00 H ATOM 779 N TYR A 101 14.514 19.569 -4.062 1.00 30.65 N ATOM 780 CA TYR A 101 14.196 18.882 -5.321 1.00 31.30 C ATOM 781 C TYR A 101 12.749 19.206 -5.683 1.00 32.70 C ATOM 782 O TYR A 101 11.925 19.205 -4.801 1.00 32.72 O ATOM 783 CB TYR A 101 14.400 17.378 -5.195 1.00 29.65 C ATOM 784 CG TYR A 101 15.868 17.042 -5.202 1.00 30.74 C ATOM 785 CD1 TYR A 101 16.583 16.915 -6.387 1.00 31.84 C ATOM 786 CD2 TYR A 101 16.550 16.946 -4.012 1.00 30.04 C ATOM 787 CE1 TYR A 101 17.941 16.652 -6.392 1.00 32.59 C ATOM 788 CE2 TYR A 101 17.882 16.656 -3.991 1.00 31.38 C ATOM 789 CZ TYR A 101 18.578 16.512 -5.175 1.00 31.74 C ATOM 790 OH TYR A 101 19.942 16.267 -5.118 1.00 30.13 O ATOM 791 HH TYR A 101 20.301 16.188 -6.037 1.00 0.00 H ATOM 792 H TYR A 101 14.067 19.237 -3.184 1.00 0.00 H ATOM 793 N GLU A 102 12.504 19.518 -6.941 1.00 34.70 N ATOM 794 CA GLU A 102 11.172 19.870 -7.448 1.00 38.17 C ATOM 795 C GLU A 102 10.999 19.448 -8.901 1.00 37.16 C ATOM 796 O GLU A 102 11.943 19.001 -9.548 1.00 36.01 O ATOM 797 CB GLU A 102 10.956 21.374 -7.339 1.00 42.47 C ATOM 798 CG GLU A 102 11.844 22.190 -8.264 1.00 46.99 C ATOM 799 CD GLU A 102 11.504 23.685 -8.197 1.00 56.49 C ATOM 800 OE1 GLU A 102 10.752 24.112 -9.094 1.00 67.14 O ATOM 801 OE2 GLU A 102 11.987 24.439 -7.287 1.00 59.27 O ATOM 802 H GLU A 102 13.299 19.514 -7.611 1.00 0.00 H ATOM 803 N GLY A 103 9.789 19.628 -9.430 1.00 36.75 N ATOM 804 CA GLY A 103 9.465 19.324 -10.800 1.00 37.28 C ATOM 805 C GLY A 103 9.235 17.858 -11.123 1.00 37.55 C ATOM 806 O GLY A 103 9.050 17.525 -12.312 1.00 37.18 O ATOM 807 H GLY A 103 9.038 20.009 -8.820 1.00 0.00 H ATOM 808 N GLY A 104 9.230 16.995 -10.081 1.00 37.80 N ATOM 809 CA GLY A 104 9.047 15.570 -10.253 1.00 40.39 C ATOM 810 C GLY A 104 7.638 15.132 -9.923 1.00 42.55 C ATOM 811 O GLY A 104 6.686 15.958 -10.007 1.00 44.56 O ATOM 812 H GLY A 104 9.363 17.370 -9.120 1.00 0.00 H ATOM 813 N SER A 105 7.477 13.849 -9.593 1.00 48.02 N ATOM 814 CA SER A 105 6.140 13.270 -9.309 1.00 51.27 C ATOM 815 C SER A 105 6.221 12.327 -8.129 1.00 52.95 C ATOM 816 O SER A 105 7.177 11.553 -8.049 1.00 52.15 O ATOM 817 CB SER A 105 5.595 12.477 -10.515 1.00 54.82 C ATOM 818 OG SER A 105 5.775 13.135 -11.747 1.00 54.05 O ATOM 819 HG SER A 105 5.406 12.576 -12.476 1.00 0.00 H ATOM 820 H SER A 105 8.315 13.235 -9.533 1.00 0.00 H ATOM 821 N GLN A 106 5.247 12.376 -7.224 1.00 54.01 N ATOM 822 CA GLN A 106 5.181 11.421 -6.100 1.00 57.96 C ATOM 823 C GLN A 106 6.490 11.281 -5.300 1.00 54.91 C ATOM 824 O GLN A 106 7.140 10.231 -5.394 1.00 57.73 O ATOM 825 CB GLN A 106 4.748 10.027 -6.621 1.00 62.37 C ATOM 826 CG GLN A 106 3.319 9.932 -7.078 1.00 69.69 C ATOM 827 CD GLN A 106 2.814 8.493 -6.975 1.00 75.21 C ATOM 828 OE1 GLN A 106 2.492 7.988 -5.886 1.00 82.26 O ATOM 829 NE2 GLN A 106 2.752 7.823 -8.109 1.00 80.72 N ATOM 830 HE22 GLN A 106 3.031 8.282 -9.000 1.00 0.00 H ATOM 831 HE21 GLN A 106 2.425 6.836 -8.113 1.00 0.00 H ATOM 832 H GLN A 106 4.512 13.107 -7.311 1.00 0.00 H ATOM 833 N PRO A 107 6.906 12.303 -4.535 1.00 51.69 N ATOM 834 CA PRO A 107 6.241 13.616 -4.456 1.00 49.21 C ATOM 835 C PRO A 107 6.795 14.598 -5.477 1.00 46.36 C ATOM 836 O PRO A 107 7.821 14.328 -6.137 1.00 45.08 O ATOM 837 CB PRO A 107 6.569 14.075 -3.056 1.00 52.14 C ATOM 838 CG PRO A 107 7.945 13.526 -2.845 1.00 51.29 C ATOM 839 CD PRO A 107 8.013 12.226 -3.590 1.00 52.83 C ATOM 840 N GLN A 108 6.110 15.715 -5.629 1.00 45.14 N ATOM 841 CA GLN A 108 6.563 16.770 -6.526 1.00 44.58 C ATOM 842 C GLN A 108 7.879 17.377 -6.045 1.00 41.33 C ATOM 843 O GLN A 108 8.720 17.676 -6.890 1.00 38.62 O ATOM 844 CB GLN A 108 5.508 17.854 -6.648 1.00 44.59 C ATOM 845 CG GLN A 108 4.337 17.387 -7.455 1.00 47.38 C ATOM 846 CD GLN A 108 3.311 18.497 -7.584 1.00 49.33 C ATOM 847 OE1 GLN A 108 3.049 19.246 -6.636 1.00 50.46 O ATOM 848 NE2 GLN A 108 2.777 18.647 -8.767 1.00 52.93 N ATOM 849 HE22 GLN A 108 3.026 17.993 -9.537 1.00 0.00 H ATOM 850 HE21 GLN A 108 2.103 19.420 -8.939 1.00 0.00 H ATOM 851 H GLN A 108 5.226 15.846 -5.096 1.00 0.00 H ATOM 852 N THR A 109 8.023 17.527 -4.740 1.00 39.11 N ATOM 853 CA THR A 109 9.158 18.148 -4.118 1.00 39.65 C ATOM 854 C THR A 109 9.624 17.398 -2.870 1.00 38.22 C ATOM 855 O THR A 109 8.857 16.693 -2.289 1.00 39.59 O ATOM 856 CB THR A 109 8.809 19.579 -3.677 1.00 42.01 C ATOM 857 OG1 THR A 109 7.850 19.476 -2.615 1.00 44.89 O ATOM 858 CG2 THR A 109 8.213 20.416 -4.826 1.00 42.60 C ATOM 859 HG1 THR A 109 8.245 18.967 -1.863 1.00 0.00 H ATOM 860 H THR A 109 7.265 17.172 -4.123 1.00 0.00 H ATOM 861 N PHE A 110 10.896 17.571 -2.484 1.00 35.94 N ATOM 862 CA PHE A 110 11.440 17.031 -1.212 1.00 33.86 C ATOM 863 C PHE A 110 12.843 17.691 -1.008 1.00 30.82 C ATOM 864 O PHE A 110 13.330 18.381 -1.913 1.00 30.66 O ATOM 865 CB PHE A 110 11.567 15.506 -1.212 1.00 33.80 C ATOM 866 CG PHE A 110 12.570 14.954 -2.207 1.00 36.48 C ATOM 867 CD1 PHE A 110 12.225 14.738 -3.531 1.00 36.46 C ATOM 868 CD2 PHE A 110 13.831 14.565 -1.772 1.00 36.11 C ATOM 869 CE1 PHE A 110 13.156 14.201 -4.422 1.00 39.62 C ATOM 870 CE2 PHE A 110 14.738 14.026 -2.660 1.00 35.34 C ATOM 871 CZ PHE A 110 14.425 13.846 -3.998 1.00 37.41 C ATOM 872 H PHE A 110 11.533 18.109 -3.105 1.00 0.00 H ATOM 873 N PHE A 111 13.442 17.478 0.168 1.00 30.03 N ATOM 874 CA PHE A 111 14.771 17.981 0.426 1.00 29.99 C ATOM 875 C PHE A 111 15.752 16.818 0.529 1.00 31.03 C ATOM 876 O PHE A 111 15.429 15.806 1.113 1.00 31.31 O ATOM 877 CB PHE A 111 14.823 18.744 1.750 1.00 29.85 C ATOM 878 CG PHE A 111 14.013 19.982 1.761 1.00 30.84 C ATOM 879 CD1 PHE A 111 12.678 19.920 2.074 1.00 31.80 C ATOM 880 CD2 PHE A 111 14.587 21.205 1.487 1.00 32.04 C ATOM 881 CE1 PHE A 111 11.913 21.060 2.149 1.00 33.46 C ATOM 882 CE2 PHE A 111 13.812 22.354 1.555 1.00 32.62 C ATOM 883 CZ PHE A 111 12.480 22.265 1.841 1.00 31.82 C ATOM 884 H PHE A 111 12.944 16.943 0.907 1.00 0.00 H ATOM 885 N GLY A 112 16.956 16.983 -0.042 1.00 30.54 N ATOM 886 CA GLY A 112 18.046 16.015 0.197 1.00 31.77 C ATOM 887 C GLY A 112 19.094 16.781 0.984 1.00 30.08 C ATOM 888 O GLY A 112 19.692 17.700 0.445 1.00 30.10 O ATOM 889 H GLY A 112 17.123 17.802 -0.660 1.00 0.00 H ATOM 890 N LEU A 113 19.237 16.457 2.257 1.00 28.20 N ATOM 891 CA LEU A 113 20.150 17.160 3.149 1.00 29.08 C ATOM 892 C LEU A 113 21.371 16.297 3.462 1.00 29.60 C ATOM 893 O LEU A 113 21.292 15.094 3.563 1.00 30.09 O ATOM 894 CB LEU A 113 19.445 17.563 4.454 1.00 29.52 C ATOM 895 CG LEU A 113 18.157 18.397 4.244 1.00 28.85 C ATOM 896 CD1 LEU A 113 17.550 18.820 5.605 1.00 30.63 C ATOM 897 CD2 LEU A 113 18.439 19.648 3.429 1.00 29.24 C ATOM 898 H LEU A 113 18.675 15.669 2.638 1.00 0.00 H ATOM 899 N ILE A 114 22.511 16.945 3.571 1.00 29.02 N ATOM 900 CA ILE A 114 23.802 16.304 3.830 1.00 29.26 C ATOM 901 C ILE A 114 23.874 15.973 5.332 1.00 31.40 C ATOM 902 O ILE A 114 23.999 16.875 6.218 1.00 29.19 O ATOM 903 CB ILE A 114 24.939 17.221 3.371 1.00 30.15 C ATOM 904 CG1 ILE A 114 24.768 17.600 1.875 1.00 30.43 C ATOM 905 CG2 ILE A 114 26.298 16.566 3.708 1.00 31.28 C ATOM 906 CD1 ILE A 114 25.574 18.804 1.433 1.00 31.38 C ATOM 907 H ILE A 114 22.494 17.980 3.466 1.00 0.00 H ATOM 908 N LYS A 115 23.832 14.686 5.628 1.00 32.41 N ATOM 909 CA LYS A 115 23.692 14.192 6.997 1.00 37.10 C ATOM 910 C LYS A 115 24.805 14.746 7.906 1.00 37.95 C ATOM 911 O LYS A 115 24.560 15.155 9.016 1.00 37.77 O ATOM 912 CB LYS A 115 23.680 12.650 6.999 1.00 41.95 C ATOM 913 CG LYS A 115 24.190 11.910 8.210 1.00 52.51 C ATOM 914 CD LYS A 115 24.350 10.422 7.952 1.00 55.02 C ATOM 915 CE LYS A 115 24.573 9.721 9.293 1.00 59.98 C ATOM 916 NZ LYS A 115 24.452 8.243 9.191 1.00 61.93 N ATOM 917 HZ1 LYS A 115 23.499 7.997 8.855 1.00 0.00 H ATOM 918 HZ2 LYS A 115 25.161 7.884 8.520 1.00 0.00 H ATOM 919 HZ3 LYS A 115 24.612 7.818 10.127 1.00 0.00 H ATOM 920 H LYS A 115 23.902 13.995 4.854 1.00 0.00 H ATOM 921 N ASP A 116 26.029 14.787 7.417 1.00 42.44 N ATOM 922 CA ASP A 116 27.112 15.168 8.328 1.00 46.73 C ATOM 923 C ASP A 116 27.221 16.675 8.504 1.00 46.09 C ATOM 924 O ASP A 116 28.028 17.106 9.328 1.00 50.78 O ATOM 925 CB ASP A 116 28.427 14.440 8.054 1.00 53.42 C ATOM 926 CG ASP A 116 28.735 14.403 6.662 1.00 56.17 C ATOM 927 OD1 ASP A 116 28.989 15.519 6.246 1.00 58.17 O ATOM 928 OD2 ASP A 116 28.636 13.309 6.023 1.00 63.03 O ATOM 929 H ASP A 116 26.219 14.557 6.421 1.00 0.00 H ATOM 930 N ARG A 117 26.311 17.461 7.882 1.00 39.99 N ATOM 931 CA ARG A 117 26.212 18.870 8.135 1.00 37.09 C ATOM 932 C ARG A 117 25.123 19.235 9.111 1.00 35.18 C ATOM 933 O ARG A 117 24.895 20.422 9.347 1.00 34.32 O ATOM 934 CB ARG A 117 25.978 19.602 6.842 1.00 41.76 C ATOM 935 CG ARG A 117 27.002 19.316 5.766 1.00 47.40 C ATOM 936 CD ARG A 117 27.841 20.450 5.290 1.00 52.22 C ATOM 937 NE ARG A 117 28.781 19.825 4.361 1.00 57.99 N ATOM 938 CZ ARG A 117 29.018 20.169 3.088 1.00 63.40 C ATOM 939 NH1 ARG A 117 28.404 21.212 2.494 1.00 58.94 N ATOM 940 NH2 ARG A 117 29.909 19.449 2.383 1.00 63.38 N ATOM 941 HE ARG A 117 29.328 19.022 4.731 1.00 0.00 H ATOM 942 HH12 ARG A 117 28.617 21.445 1.503 1.00 0.00 H ATOM 943 HH11 ARG A 117 27.717 21.783 3.027 1.00 0.00 H ATOM 944 HH22 ARG A 117 30.110 19.696 1.393 1.00 0.00 H ATOM 945 HH21 ARG A 117 30.397 18.645 2.828 1.00 0.00 H ATOM 946 H ARG A 117 25.660 17.028 7.196 1.00 0.00 H ATOM 947 N LEU A 118 24.448 18.227 9.646 1.00 31.42 N ATOM 948 CA LEU A 118 23.393 18.328 10.613 1.00 32.79 C ATOM 949 C LEU A 118 23.808 17.720 11.943 1.00 32.39 C ATOM 950 O LEU A 118 24.788 16.948 12.020 1.00 33.28 O ATOM 951 CB LEU A 118 22.160 17.602 10.130 1.00 35.01 C ATOM 952 CG LEU A 118 21.621 18.034 8.741 1.00 33.73 C ATOM 953 CD1 LEU A 118 20.492 17.127 8.315 1.00 36.64 C ATOM 954 CD2 LEU A 118 21.173 19.458 8.859 1.00 32.86 C ATOM 955 H LEU A 118 24.709 17.270 9.334 1.00 0.00 H ATOM 956 N ALA A 119 23.150 18.192 12.998 1.00 33.34 N ATOM 957 CA ALA A 119 23.343 17.684 14.347 1.00 34.89 C ATOM 958 C ALA A 119 21.974 17.310 14.878 1.00 35.69 C ATOM 959 O ALA A 119 21.025 18.105 14.748 1.00 35.77 O ATOM 960 CB ALA A 119 23.970 18.768 15.216 1.00 33.80 C ATOM 961 H ALA A 119 22.465 18.961 12.851 1.00 0.00 H ATOM 962 N GLU A 120 21.869 16.147 15.517 1.00 35.19 N ATOM 963 CA GLU A 120 20.594 15.655 16.013 1.00 36.00 C ATOM 964 C GLU A 120 20.480 15.863 17.548 1.00 36.62 C ATOM 965 O GLU A 120 21.437 15.669 18.282 1.00 32.66 O ATOM 966 CB GLU A 120 20.395 14.183 15.669 1.00 39.86 C ATOM 967 CG GLU A 120 18.924 13.755 15.911 1.00 44.09 C ATOM 968 CD GLU A 120 18.529 12.344 15.448 1.00 52.56 C ATOM 969 OE1 GLU A 120 19.357 11.614 14.856 1.00 53.57 O ATOM 970 OE2 GLU A 120 17.349 11.994 15.691 1.00 56.44 O ATOM 971 H GLU A 120 22.724 15.574 15.666 1.00 0.00 H ATOM 972 N GLY A 121 19.297 16.221 18.015 1.00 38.50 N ATOM 973 CA GLY A 121 19.099 16.484 19.418 1.00 39.59 C ATOM 974 C GLY A 121 17.654 16.690 19.840 1.00 44.24 C ATOM 975 O GLY A 121 16.727 16.493 19.036 1.00 40.06 O ATOM 976 H GLY A 121 18.495 16.315 17.359 1.00 0.00 H ATOM 977 N PRO A 122 17.452 16.971 21.146 1.00 44.76 N ATOM 978 CA PRO A 122 16.108 17.065 21.714 1.00 49.04 C ATOM 979 C PRO A 122 15.278 18.197 21.102 1.00 48.44 C ATOM 980 O PRO A 122 15.829 19.232 20.774 1.00 48.36 O ATOM 981 CB PRO A 122 16.368 17.383 23.193 1.00 48.93 C ATOM 982 CG PRO A 122 17.776 17.001 23.447 1.00 49.85 C ATOM 983 CD PRO A 122 18.503 17.186 22.155 1.00 46.43 C ATOM 984 N ALA A 123 13.963 18.001 21.010 1.00 55.77 N ATOM 985 CA ALA A 123 13.015 19.083 20.710 1.00 58.35 C ATOM 986 C ALA A 123 12.953 19.999 21.924 1.00 62.66 C ATOM 987 O ALA A 123 12.716 21.206 21.782 1.00 69.87 O ATOM 988 CB ALA A 123 11.636 18.505 20.390 1.00 60.98 C ATOM 989 H ALA A 123 13.592 17.041 21.157 1.00 0.00 H TER 990 ALA A 123 HETATM 991 ZN ZN A 1 23.978 27.183 9.934 1.00 30.25 ZN HETATM 992 O HOH 2 13.333 24.057 -5.309 1.00 59.20 O HETATM 993 O HOH 3 8.730 9.743 8.748 1.00 55.13 O HETATM 994 O HOH 4 22.873 6.296 7.938 1.00 65.61 O HETATM 995 O HOH 5 10.873 12.615 18.417 1.00 65.66 O HETATM 996 O HOH 6 20.014 25.028 -9.340 1.00 53.58 O HETATM 997 O HOH 7 36.163 18.179 -5.458 1.00 43.16 O HETATM 998 O HOH 8 14.741 19.482 -16.065 1.00 34.27 O HETATM 999 O HOH 9 20.748 26.180 -7.150 1.00 45.62 O HETATM 1000 O HOH 10 16.176 21.828 20.555 1.00 42.78 O HETATM 1001 O HOH 11 23.165 23.481 -13.453 1.00 54.29 O HETATM 1002 O HOH 12 28.356 13.729 3.384 1.00 42.07 O HETATM 1003 O HOH 13 30.521 17.283 4.845 1.00 76.63 O HETATM 1004 O HOH 14 3.152 13.780 -8.257 1.00 44.54 O HETATM 1005 O HOH 15 18.974 33.716 4.788 1.00 52.92 O HETATM 1006 O HOH 16 14.742 30.019 6.382 1.00 40.37 O HETATM 1007 O HOH 17 10.563 16.261 -14.617 1.00 38.90 O HETATM 1008 O HOH 18 29.489 21.620 -0.033 1.00 45.13 O HETATM 1009 O HOH 19 26.541 22.559 8.668 1.00 35.04 O HETATM 1010 O HOH 20 13.034 6.674 6.396 1.00 68.64 O HETATM 1011 O HOH 21 29.391 24.253 15.596 1.00 51.58 O HETATM 1012 O HOH 22 9.108 20.709 -0.409 1.00 54.42 O HETATM 1013 O HOH 23 11.155 13.857 14.944 1.00 44.21 O HETATM 1014 O HOH 24 7.114 20.492 -8.738 1.00 45.66 O HETATM 1015 O HOH 25 31.938 14.718 10.566 1.00 43.04 O HETATM 1016 O HOH 26 10.809 21.353 13.948 1.00 61.03 O HETATM 1017 O HOH 27 29.302 25.260 3.023 1.00 45.61 O HETATM 1018 O HOH 28 22.947 15.486 -16.547 1.00 57.62 O HETATM 1019 O HOH 29 22.172 32.227 4.390 1.00 55.00 O HETATM 1020 O HOH 30 9.960 12.221 -10.372 1.00 44.94 O HETATM 1021 O HOH 31 29.032 27.837 2.509 1.00 71.98 O HETATM 1022 O HOH 32 9.293 20.511 18.878 1.00 65.25 O HETATM 1023 O HOH 33 20.517 7.983 -5.409 1.00 65.93 O HETATM 1024 O HOH 34 6.802 20.056 14.499 1.00 66.04 O HETATM 1025 O HOH 35 16.449 15.499 -14.118 1.00 56.33 O HETATM 1026 O HOH 36 17.622 13.590 21.388 1.00 63.98 O HETATM 1027 O HOH 37 30.124 20.422 -8.926 1.00 62.04 O HETATM 1028 O HOH 38 20.390 13.240 -14.889 1.00 65.79 O HETATM 1029 O HOH 39 18.810 9.985 -12.313 1.00 63.24 O HETATM 1030 O HOH 40 10.629 25.917 -3.835 1.00 66.65 O HETATM 1031 O HOH 41 6.088 10.187 11.885 1.00 71.93 O HETATM 1032 O HOH 42 13.284 29.311 10.451 1.00 58.04 O HETATM 1033 O HOH 43 11.844 11.967 21.176 1.00 69.44 O HETATM 1034 O HOH 44 27.030 25.395 -2.715 1.00 56.42 O HETATM 1035 C4 JPB A 45 24.258 18.067 -7.044 1.00 0.15 C HETATM 1036 N2 JPB A 45 24.707 19.341 -7.488 1.00 -0.26 N HETATM 1037 C5 JPB A 45 25.892 19.840 -7.163 1.00 0.21 C HETATM 1038 C6 JPB A 45 26.265 21.159 -7.762 1.00 0.08 C HETATM 1039 C11 JPB A 45 26.375 22.280 -6.939 1.00 0.06 C HETATM 1040 C10 JPB A 45 26.758 23.505 -7.463 1.00 -0.03 C HETATM 1041 C9 JPB A 45 27.070 23.586 -8.808 1.00 0.05 C HETATM 1042 C8 JPB A 45 26.990 22.497 -9.651 1.00 -0.03 C HETATM 1043 C7 JPB A 45 26.597 21.283 -9.112 1.00 0.06 C HETATM 1044 CL1 JPB A 45 26.500 19.925 -10.196 1.00 -0.06 CL HETATM 1045 H2 JPB A 45 27.228 22.589 -10.705 1.00 0.06 H HETATM 1046 CL2 JPB A 45 27.582 25.107 -9.466 1.00 -0.07 CL HETATM 1047 H3 JPB A 45 26.812 24.383 -6.830 1.00 0.06 H HETATM 1048 CL3 JPB A 45 25.971 22.179 -5.235 1.00 -0.06 CL HETATM 1049 O3 JPB A 45 26.640 19.261 -6.376 1.00 -0.38 O HETATM 1050 H5 JPB A 45 24.103 19.884 -8.071 1.00 0.19 H HETATM 1051 C3 JPB A 45 22.734 18.033 -6.854 1.00 0.08 C HETATM 1052 C2 JPB A 45 22.305 16.835 -7.655 1.00 0.21 C HETATM 1053 N1 JPB A 45 23.387 16.378 -8.366 1.00 -0.20 N HETATM 1054 C1 JPB A 45 24.530 17.087 -8.152 1.00 0.23 C HETATM 1055 O1 JPB A 45 25.573 16.994 -8.791 1.00 -0.38 O HETATM 1056 H4 JPB A 45 23.340 15.595 -8.986 1.00 0.23 H HETATM 1057 O2 JPB A 45 21.218 16.290 -7.658 1.00 -0.39 O HETATM 1058 H6 JPB A 45 22.269 18.951 -7.242 1.00 0.06 H HETATM 1059 H7 JPB A 45 22.473 17.910 -5.793 1.00 0.06 H HETATM 1060 H1 JPB A 45 24.773 17.784 -6.114 1.00 0.08 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 54 53 991 CONECT 90 89 991 CONECT 688 687 991 CONECT 712 711 991 CONECT 991 54 90 688 712 CONECT 1035 1036 1051 1054 1060 CONECT 1036 1035 1037 1050 CONECT 1037 1036 1038 1049 CONECT 1038 1037 1039 1043 CONECT 1039 1038 1040 1048 CONECT 1040 1039 1041 1047 CONECT 1041 1040 1042 1046 CONECT 1042 1041 1043 1045 CONECT 1043 1038 1042 1044 CONECT 1044 1043 CONECT 1045 1042 CONECT 1046 1041 CONECT 1047 1040 CONECT 1048 1039 CONECT 1049 1037 CONECT 1050 1036 CONECT 1051 1035 1052 1058 1059 CONECT 1052 1051 1053 1057 CONECT 1053 1052 1054 1056 CONECT 1054 1035 1053 1055 CONECT 1055 1054 CONECT 1056 1053 CONECT 1057 1052 CONECT 1058 1051 CONECT 1059 1051 CONECT 1060 1035 MASTER 0 0 0 0 0 0 0 0 1059 1 35 8 END
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Related entries of code: 6r1k
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%
6r1x
RCSB PDB
PDBbind
125aa, >6R1X_1|Chains... at 100%
6r1w
RCSB PDB
PDBbind
125aa, >6R1W_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
6r1k
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Cereblon isoform 4
Ligand Name
JPB
EC.Number
E.C.-.-.-.-
Resolution
1.94(Å)
Affinity (Kd/Ki/IC50)
Ki=9.0uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 6615-6629
Ligand Properties
Formula
C
1
1
H
7
Cl
3
N
2
O
3
Molecular Weight
321.544
Exact Mass
319.952
No. of atoms
26
No. of bonds
27
Polar Surface Area
75.27
LOGP Value
1.95 (
Computed with XLOGP3
)
2.51 (
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: 2
Canonical SMILES
O=C(c1c(Cl)cc(cc1Cl)Cl)N[C@H]1CC(=O)NC1=O
InChI String
InChI=1S/C11H7Cl3N2O3/c12-4-1-5(13)9(6(14)2-4)11(19)15-7-3-8(17)16-10(7)18/h1-2,7H,3H2,(H,15,19)(H,16,17,18)/t7-/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
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