Browse entries in the PDBbind-CN Database
HEADER 4QQ4_COMPLEX COMPND 4QQ4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 48 PRO ASP GLN THR TRP VAL GLN CYS ASP ALA CYS LEU LYS SEQRES 2 A 48 TRP ARG LYS LEU PRO ASP GLY MET ASP GLN LEU PRO GLU SEQRES 3 A 48 LYS TRP TYR CYS SER ASN ASN PRO ASP PRO GLN PHE ARG SEQRES 4 A 48 ASN CYS GLU VAL PRO GLU GLU PRO GLU SEQRES 1 B 48 PRO ASP GLN THR TRP VAL GLN CYS ASP ALA CYS LEU LYS SEQRES 2 B 48 TRP ARG LYS LEU PRO ASP GLY MET ASP GLN LEU PRO GLU SEQRES 3 B 48 LYS TRP TYR CYS SER ASN ASN PRO ASP PRO GLN PHE ARG SEQRES 4 B 48 ASN CYS GLU VAL PRO GLU GLU PRO GLU HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET ALA A 189 149 ATOM 1 N PRO A 406 20.512 20.841 -5.809 1.00 64.63 N ATOM 2 CA PRO A 406 19.885 19.898 -4.853 1.00 67.93 C ATOM 3 C PRO A 406 18.388 19.582 -5.135 1.00 55.14 C ATOM 4 O PRO A 406 17.710 20.345 -5.826 1.00 51.76 O ATOM 5 CB PRO A 406 20.064 20.588 -3.488 1.00 63.27 C ATOM 6 CG PRO A 406 21.182 21.563 -3.667 1.00 66.45 C ATOM 7 CD PRO A 406 21.330 21.869 -5.139 1.00 67.55 C ATOM 8 HN2 PRO A 406 19.761 21.314 -6.351 1.00 0.00 H ATOM 9 HN1 PRO A 406 21.120 20.302 -6.458 1.00 0.00 H ATOM 10 N ASP A 407 17.904 18.452 -4.608 1.00 44.49 N ATOM 11 CA ASP A 407 16.501 18.043 -4.742 1.00 38.28 C ATOM 12 C ASP A 407 15.629 18.937 -3.842 1.00 32.67 C ATOM 13 O ASP A 407 16.147 19.652 -2.985 1.00 29.73 O ATOM 14 CB ASP A 407 16.306 16.580 -4.271 1.00 42.27 C ATOM 15 CG ASP A 407 17.056 15.561 -5.137 1.00 56.17 C ATOM 16 OD1 ASP A 407 16.997 15.690 -6.384 1.00 57.68 O ATOM 17 OD2 ASP A 407 17.689 14.638 -4.562 1.00 57.64 O ATOM 18 H ASP A 407 18.552 17.834 -4.079 1.00 0.00 H ATOM 19 N GLN A 408 14.318 18.820 -4.029 1.00 31.82 N ATOM 20 CA GLN A 408 13.327 19.504 -3.216 1.00 30.52 C ATOM 21 C GLN A 408 13.049 18.748 -1.930 1.00 27.80 C ATOM 22 O GLN A 408 12.490 17.651 -1.955 1.00 26.97 O ATOM 23 CB GLN A 408 12.032 19.615 -4.012 1.00 32.26 C ATOM 24 CG GLN A 408 10.882 20.340 -3.298 1.00 31.45 C ATOM 25 CD GLN A 408 11.219 21.793 -3.069 1.00 32.64 C ATOM 26 OE1 GLN A 408 11.294 22.561 -4.026 1.00 32.63 O ATOM 27 NE2 GLN A 408 11.468 22.178 -1.812 1.00 29.39 N ATOM 28 HE22 GLN A 408 11.392 21.493 -1.033 1.00 0.00 H ATOM 29 HE21 GLN A 408 11.738 23.163 -1.613 1.00 0.00 H ATOM 30 H GLN A 408 13.984 18.206 -4.799 1.00 0.00 H ATOM 31 N THR A 409 13.354 19.365 -0.788 1.00 28.26 N ATOM 32 CA THR A 409 12.878 18.845 0.488 1.00 25.91 C ATOM 33 C THR A 409 11.421 19.276 0.750 1.00 25.43 C ATOM 34 O THR A 409 11.057 20.441 0.485 1.00 23.18 O ATOM 35 CB THR A 409 13.749 19.337 1.642 1.00 28.58 C ATOM 36 OG1 THR A 409 15.095 18.893 1.424 1.00 29.69 O ATOM 37 CG2 THR A 409 13.261 18.782 2.996 1.00 29.95 C ATOM 38 HG1 THR A 409 15.113 17.904 1.386 1.00 0.00 H ATOM 39 H THR A 409 13.937 20.226 -0.808 1.00 0.00 H ATOM 40 N TRP A 410 10.625 18.330 1.229 1.00 22.64 N ATOM 41 CA TRP A 410 9.319 18.602 1.829 1.00 21.42 C ATOM 42 C TRP A 410 9.315 18.071 3.264 1.00 21.17 C ATOM 43 O TRP A 410 9.981 17.074 3.598 1.00 20.09 O ATOM 44 CB TRP A 410 8.188 17.882 1.121 1.00 21.70 C ATOM 45 CG TRP A 410 8.133 18.015 -0.366 1.00 25.35 C ATOM 46 CD1 TRP A 410 9.065 17.572 -1.274 1.00 27.20 C ATOM 47 CD2 TRP A 410 7.035 18.541 -1.131 1.00 26.51 C ATOM 48 NE1 TRP A 410 8.618 17.836 -2.568 1.00 26.72 N ATOM 49 CE2 TRP A 410 7.370 18.411 -2.497 1.00 28.31 C ATOM 50 CE3 TRP A 410 5.806 19.124 -0.789 1.00 24.91 C ATOM 51 CZ2 TRP A 410 6.523 18.876 -3.518 1.00 27.70 C ATOM 52 CZ3 TRP A 410 4.953 19.555 -1.814 1.00 30.45 C ATOM 53 CH2 TRP A 410 5.329 19.447 -3.153 1.00 27.78 C ATOM 54 HE1 TRP A 410 9.142 17.632 -3.443 1.00 0.00 H ATOM 55 H TRP A 410 10.946 17.342 1.175 1.00 0.00 H ATOM 56 N VAL A 411 8.516 18.709 4.107 1.00 20.07 N ATOM 57 CA VAL A 411 8.279 18.245 5.483 1.00 19.74 C ATOM 58 C VAL A 411 6.771 18.079 5.663 1.00 22.11 C ATOM 59 O VAL A 411 6.002 18.860 5.141 1.00 20.73 O ATOM 60 CB VAL A 411 8.900 19.183 6.559 1.00 18.77 C ATOM 61 CG1 VAL A 411 8.302 20.595 6.489 1.00 19.97 C ATOM 62 CG2 VAL A 411 8.637 18.612 7.954 1.00 19.98 C ATOM 63 H VAL A 411 8.037 19.573 3.783 1.00 0.00 H ATOM 64 N GLN A 412 6.341 17.053 6.379 1.00 20.33 N ATOM 65 CA GLN A 412 4.943 16.887 6.646 1.00 18.52 C ATOM 66 C GLN A 412 4.489 17.589 7.956 1.00 19.99 C ATOM 67 O GLN A 412 5.135 17.437 9.017 1.00 18.83 O ATOM 68 CB GLN A 412 4.629 15.374 6.741 1.00 20.69 C ATOM 69 CG GLN A 412 3.159 15.108 6.977 1.00 22.16 C ATOM 70 CD GLN A 412 2.771 13.663 6.833 1.00 23.17 C ATOM 71 OE1 GLN A 412 3.282 12.796 7.531 1.00 25.20 O ATOM 72 NE2 GLN A 412 1.819 13.409 5.964 1.00 25.84 N ATOM 73 HE22 GLN A 412 1.416 14.180 5.394 1.00 0.00 H ATOM 74 HE21 GLN A 412 1.468 12.437 5.846 1.00 0.00 H ATOM 75 H GLN A 412 7.023 16.362 6.751 1.00 0.00 H ATOM 76 N CYS A 413 3.402 18.377 7.882 1.00 18.12 N ATOM 77 CA CYS A 413 2.765 18.870 9.134 1.00 18.57 C ATOM 78 C CYS A 413 2.270 17.722 10.019 1.00 19.28 C ATOM 79 O CYS A 413 1.426 16.898 9.635 1.00 21.18 O ATOM 80 CB CYS A 413 1.645 19.893 8.804 1.00 17.83 C ATOM 81 SG CYS A 413 0.916 20.582 10.315 1.00 18.53 S ATOM 82 H CYS A 413 3.009 18.640 6.956 1.00 0.00 H ATOM 83 N ASP A 414 2.754 17.668 11.256 1.00 20.54 N ATOM 84 CA ASP A 414 2.313 16.615 12.147 1.00 21.90 C ATOM 85 C ASP A 414 0.830 16.697 12.470 1.00 25.60 C ATOM 86 O ASP A 414 0.247 15.696 12.866 1.00 24.77 O ATOM 87 CB ASP A 414 3.160 16.575 13.426 1.00 23.64 C ATOM 88 CG ASP A 414 4.471 15.826 13.197 1.00 31.10 C ATOM 89 OD1 ASP A 414 4.369 14.605 13.053 1.00 36.55 O ATOM 90 OD2 ASP A 414 5.579 16.430 13.094 1.00 31.74 O ATOM 91 H ASP A 414 3.443 18.376 11.581 1.00 0.00 H ATOM 92 N ALA A 415 0.213 17.866 12.294 1.00 22.00 N ATOM 93 CA ALA A 415 -1.233 18.049 12.575 1.00 20.43 C ATOM 94 C ALA A 415 -2.088 17.714 11.355 1.00 20.77 C ATOM 95 O ALA A 415 -2.781 16.688 11.318 1.00 24.92 O ATOM 96 CB ALA A 415 -1.502 19.501 13.013 1.00 23.10 C ATOM 97 H ALA A 415 0.764 18.677 11.948 1.00 0.00 H ATOM 98 N CYS A 416 -1.997 18.539 10.316 1.00 18.72 N ATOM 99 CA CYS A 416 -2.857 18.392 9.159 1.00 19.08 C ATOM 100 C CYS A 416 -2.370 17.370 8.132 1.00 22.55 C ATOM 101 O CYS A 416 -3.125 17.034 7.213 1.00 21.05 O ATOM 102 CB CYS A 416 -3.096 19.736 8.445 1.00 18.09 C ATOM 103 SG CYS A 416 -1.718 20.428 7.519 1.00 20.19 S ATOM 104 H CYS A 416 -1.294 19.305 10.334 1.00 0.00 H ATOM 105 N LEU A 417 -1.130 16.910 8.256 1.00 21.98 N ATOM 106 CA LEU A 417 -0.545 15.897 7.340 1.00 21.68 C ATOM 107 C LEU A 417 -0.321 16.378 5.927 1.00 22.25 C ATOM 108 O LEU A 417 0.073 15.613 5.081 1.00 19.69 O ATOM 109 CB LEU A 417 -1.379 14.598 7.379 1.00 22.53 C ATOM 110 CG LEU A 417 -1.586 14.039 8.789 1.00 26.68 C ATOM 111 CD1 LEU A 417 -2.522 12.837 8.758 1.00 31.87 C ATOM 112 CD2 LEU A 417 -0.283 13.697 9.505 1.00 29.04 C ATOM 113 H LEU A 417 -0.541 17.276 9.031 1.00 0.00 H ATOM 114 N LYS A 418 -0.479 17.666 5.668 1.00 18.88 N ATOM 115 CA LYS A 418 -0.052 18.247 4.390 1.00 20.42 C ATOM 116 C LYS A 418 1.473 18.331 4.322 1.00 22.98 C ATOM 117 O LYS A 418 2.152 18.552 5.312 1.00 21.84 O ATOM 118 CB LYS A 418 -0.615 19.663 4.171 1.00 23.62 C ATOM 119 CG LYS A 418 -2.143 19.729 4.018 1.00 23.20 C ATOM 120 CD LYS A 418 -2.652 21.158 4.001 1.00 26.22 C ATOM 121 CE LYS A 418 -4.136 21.186 4.315 1.00 28.16 C ATOM 122 NZ LYS A 418 -4.733 22.435 3.805 1.00 31.50 N ATOM 123 HZ1 LYS A 418 -4.270 23.249 4.258 1.00 0.00 H ATOM 124 HZ2 LYS A 418 -4.598 22.487 2.775 1.00 0.00 H ATOM 125 HZ3 LYS A 418 -5.750 22.447 4.024 1.00 0.00 H ATOM 126 H LYS A 418 -0.915 18.280 6.386 1.00 0.00 H ATOM 127 N TRP A 419 2.016 18.089 3.138 1.00 19.54 N ATOM 128 CA TRP A 419 3.441 18.280 2.864 1.00 22.56 C ATOM 129 C TRP A 419 3.712 19.698 2.444 1.00 22.39 C ATOM 130 O TRP A 419 3.016 20.289 1.569 1.00 25.86 O ATOM 131 CB TRP A 419 3.892 17.299 1.753 1.00 21.85 C ATOM 132 CG TRP A 419 3.835 15.885 2.187 1.00 23.70 C ATOM 133 CD1 TRP A 419 2.770 15.052 2.118 1.00 24.68 C ATOM 134 CD2 TRP A 419 4.867 15.157 2.868 1.00 22.44 C ATOM 135 NE1 TRP A 419 3.077 13.833 2.667 1.00 26.72 N ATOM 136 CE2 TRP A 419 4.364 13.872 3.131 1.00 23.57 C ATOM 137 CE3 TRP A 419 6.176 15.461 3.238 1.00 25.82 C ATOM 138 CZ2 TRP A 419 5.125 12.867 3.757 1.00 25.51 C ATOM 139 CZ3 TRP A 419 6.945 14.450 3.859 1.00 23.12 C ATOM 140 CH2 TRP A 419 6.406 13.172 4.101 1.00 22.11 C ATOM 141 HE1 TRP A 419 2.438 13.015 2.722 1.00 0.00 H ATOM 142 H TRP A 419 1.403 17.749 2.370 1.00 0.00 H ATOM 143 N ARG A 420 4.774 20.244 3.017 1.00 21.06 N ATOM 144 CA ARG A 420 5.248 21.575 2.732 1.00 20.09 C ATOM 145 C ARG A 420 6.681 21.570 2.185 1.00 22.31 C ATOM 146 O ARG A 420 7.597 21.014 2.793 1.00 19.75 O ATOM 147 CB ARG A 420 5.206 22.456 4.017 1.00 19.90 C ATOM 148 CG ARG A 420 3.830 22.532 4.709 1.00 21.84 C ATOM 149 CD ARG A 420 2.746 23.077 3.766 1.00 21.10 C ATOM 150 NE ARG A 420 1.522 23.471 4.475 1.00 19.10 N ATOM 151 CZ ARG A 420 0.364 23.764 3.871 1.00 23.13 C ATOM 152 NH1 ARG A 420 0.272 23.735 2.521 1.00 21.32 N ATOM 153 NH2 ARG A 420 -0.702 24.131 4.609 1.00 21.72 N ATOM 154 HE ARG A 420 1.557 23.526 5.513 1.00 0.00 H ATOM 155 HH12 ARG A 420 -0.630 23.963 2.056 1.00 0.00 H ATOM 156 HH11 ARG A 420 1.103 23.484 1.948 1.00 0.00 H ATOM 157 HH22 ARG A 420 -1.603 24.359 4.143 1.00 0.00 H ATOM 158 HH21 ARG A 420 -0.623 24.186 5.645 1.00 0.00 H ATOM 159 H ARG A 420 5.298 19.678 3.715 1.00 0.00 H ATOM 160 N LYS A 421 6.883 22.264 1.070 1.00 22.72 N ATOM 161 CA LYS A 421 8.226 22.476 0.578 1.00 23.82 C ATOM 162 C LYS A 421 9.048 23.325 1.519 1.00 25.36 C ATOM 163 O LYS A 421 8.578 24.312 2.104 1.00 26.96 O ATOM 164 CB LYS A 421 8.202 23.147 -0.779 1.00 22.17 C ATOM 165 CG LYS A 421 7.602 22.293 -1.845 1.00 26.32 C ATOM 166 CD LYS A 421 7.707 23.022 -3.167 1.00 30.47 C ATOM 167 CE LYS A 421 6.874 22.297 -4.210 1.00 33.04 C ATOM 168 NZ LYS A 421 7.072 22.890 -5.556 1.00 33.57 N ATOM 169 HZ1 LYS A 421 6.788 23.890 -5.538 1.00 0.00 H ATOM 170 HZ2 LYS A 421 8.075 22.818 -5.821 1.00 0.00 H ATOM 171 HZ3 LYS A 421 6.491 22.376 -6.249 1.00 0.00 H ATOM 172 H LYS A 421 6.072 22.656 0.549 1.00 0.00 H ATOM 173 N LEU A 422 10.308 22.932 1.675 1.00 21.53 N ATOM 174 CA LEU A 422 11.276 23.699 2.459 1.00 23.23 C ATOM 175 C LEU A 422 12.400 24.200 1.555 1.00 27.75 C ATOM 176 O LEU A 422 12.688 23.559 0.534 1.00 26.03 O ATOM 177 CB LEU A 422 11.866 22.792 3.517 1.00 21.90 C ATOM 178 CG LEU A 422 10.910 22.428 4.667 1.00 22.67 C ATOM 179 CD1 LEU A 422 11.667 21.557 5.641 1.00 26.32 C ATOM 180 CD2 LEU A 422 10.415 23.682 5.382 1.00 23.55 C ATOM 181 H LEU A 422 10.617 22.047 1.224 1.00 0.00 H ATOM 182 N PRO A 423 13.065 25.307 1.933 1.00 27.52 N ATOM 183 CA PRO A 423 14.262 25.691 1.181 1.00 33.00 C ATOM 184 C PRO A 423 15.438 24.751 1.443 1.00 36.11 C ATOM 185 O PRO A 423 15.434 23.993 2.408 1.00 32.30 O ATOM 186 CB PRO A 423 14.581 27.111 1.691 1.00 32.49 C ATOM 187 CG PRO A 423 13.953 27.210 3.018 1.00 31.14 C ATOM 188 CD PRO A 423 12.833 26.187 3.085 1.00 29.00 C ATOM 189 N ASP A 424 16.424 24.809 0.566 1.00 42.99 N ATOM 190 CA ASP A 424 17.700 24.121 0.783 1.00 55.51 C ATOM 191 C ASP A 424 18.460 24.638 2.006 1.00 56.81 C ATOM 192 O ASP A 424 18.340 25.801 2.376 1.00 46.61 O ATOM 193 CB ASP A 424 18.612 24.303 -0.445 1.00 64.23 C ATOM 194 CG ASP A 424 18.063 23.637 -1.706 1.00 65.88 C ATOM 195 OD1 ASP A 424 17.313 22.629 -1.587 1.00 75.37 O ATOM 196 OD2 ASP A 424 18.395 24.125 -2.820 1.00 68.34 O ATOM 197 H ASP A 424 16.291 25.360 -0.306 1.00 0.00 H ATOM 198 N GLY A 425 19.260 23.760 2.609 1.00 66.48 N ATOM 199 CA GLY A 425 20.194 24.142 3.668 1.00 64.01 C ATOM 200 C GLY A 425 19.535 24.604 4.956 1.00 68.74 C ATOM 201 O GLY A 425 20.014 25.549 5.590 1.00 72.52 O ATOM 202 H GLY A 425 19.219 22.763 2.315 1.00 0.00 H ATOM 203 N MET A 426 18.440 23.947 5.343 1.00 56.95 N ATOM 204 CA MET A 426 17.822 24.190 6.638 1.00 59.93 C ATOM 205 C MET A 426 18.704 23.680 7.779 1.00 60.98 C ATOM 206 O MET A 426 19.385 22.650 7.646 1.00 54.19 O ATOM 207 CB MET A 426 16.474 23.476 6.738 1.00 62.67 C ATOM 208 CG MET A 426 15.402 23.990 5.786 1.00 64.59 C ATOM 209 SD MET A 426 14.468 25.426 6.388 1.00 57.12 S ATOM 210 CE MET A 426 13.555 24.831 7.819 1.00 50.80 C ATOM 211 H MET A 426 18.018 23.244 4.703 1.00 0.00 H ATOM 212 N ASP A 427 18.679 24.408 8.897 1.00 54.88 N ATOM 213 CA ASP A 427 19.088 23.851 10.173 1.00 58.94 C ATOM 214 C ASP A 427 18.141 22.668 10.495 1.00 61.27 C ATOM 215 O ASP A 427 17.088 22.462 9.848 1.00 57.82 O ATOM 216 CB ASP A 427 19.057 24.913 11.294 1.00 55.18 C ATOM 217 H ASP A 427 18.359 25.397 8.853 1.00 0.00 H ATOM 218 N GLN A 428 18.539 21.895 11.495 1.00 49.54 N ATOM 219 CA GLN A 428 17.825 20.715 11.899 1.00 41.35 C ATOM 220 C GLN A 428 16.393 21.015 12.375 1.00 35.78 C ATOM 221 O GLN A 428 16.161 21.938 13.149 1.00 36.63 O ATOM 222 CB GLN A 428 18.597 20.131 13.036 1.00 51.14 C ATOM 223 CG GLN A 428 18.071 18.849 13.618 1.00 60.14 C ATOM 224 CD GLN A 428 19.094 18.298 14.590 1.00 62.08 C ATOM 225 OE1 GLN A 428 18.890 18.323 15.813 1.00 58.04 O ATOM 226 NE2 GLN A 428 20.247 17.870 14.048 1.00 47.30 N ATOM 227 HE22 GLN A 428 20.367 17.869 13.015 1.00 0.00 H ATOM 228 HE21 GLN A 428 21.019 17.540 14.662 1.00 0.00 H ATOM 229 H GLN A 428 19.405 22.153 12.010 1.00 0.00 H ATOM 230 N LEU A 429 15.443 20.189 11.947 1.00 28.80 N ATOM 231 CA LEU A 429 14.004 20.422 12.229 1.00 23.26 C ATOM 232 C LEU A 429 13.599 19.824 13.581 1.00 22.98 C ATOM 233 O LEU A 429 14.140 18.796 13.996 1.00 22.11 O ATOM 234 CB LEU A 429 13.182 19.782 11.116 1.00 21.71 C ATOM 235 CG LEU A 429 13.429 20.306 9.694 1.00 22.97 C ATOM 236 CD1 LEU A 429 12.784 19.356 8.690 1.00 25.10 C ATOM 237 CD2 LEU A 429 12.885 21.712 9.553 1.00 25.59 C ATOM 238 H LEU A 429 15.717 19.351 11.396 1.00 0.00 H ATOM 239 N PRO A 430 12.610 20.433 14.257 1.00 20.68 N ATOM 240 CA PRO A 430 12.051 19.891 15.458 1.00 24.81 C ATOM 241 C PRO A 430 11.408 18.525 15.275 1.00 23.78 C ATOM 242 O PRO A 430 11.025 18.133 14.161 1.00 25.18 O ATOM 243 CB PRO A 430 10.973 20.919 15.832 1.00 23.43 C ATOM 244 CG PRO A 430 10.555 21.572 14.553 1.00 25.43 C ATOM 245 CD PRO A 430 11.847 21.628 13.784 1.00 25.20 C ATOM 246 N GLU A 431 11.281 17.801 16.368 1.00 22.33 N ATOM 247 CA GLU A 431 10.668 16.480 16.308 1.00 24.69 C ATOM 248 C GLU A 431 9.233 16.516 15.796 1.00 26.10 C ATOM 249 O GLU A 431 8.822 15.683 14.962 1.00 21.81 O ATOM 250 CB GLU A 431 10.705 15.844 17.674 1.00 26.91 C ATOM 251 CG GLU A 431 10.283 14.378 17.660 1.00 28.68 C ATOM 252 CD GLU A 431 10.786 13.652 18.878 1.00 34.82 C ATOM 253 OE1 GLU A 431 11.032 14.306 19.913 1.00 49.51 O ATOM 254 OE2 GLU A 431 10.939 12.446 18.823 1.00 30.11 O ATOM 255 H GLU A 431 11.620 18.174 17.278 1.00 0.00 H ATOM 256 N LYS A 432 8.466 17.495 16.303 1.00 22.87 N ATOM 257 CA LYS A 432 7.117 17.756 15.820 1.00 26.18 C ATOM 258 C LYS A 432 7.177 19.072 15.051 1.00 22.82 C ATOM 259 O LYS A 432 7.726 20.049 15.545 1.00 23.37 O ATOM 260 CB LYS A 432 6.139 17.817 17.017 1.00 27.77 C ATOM 261 CG LYS A 432 5.969 16.490 17.772 1.00 31.92 C ATOM 262 CD LYS A 432 5.036 15.516 17.053 1.00 37.50 C ATOM 263 H LYS A 432 8.849 18.087 17.067 1.00 0.00 H ATOM 264 N TRP A 433 6.745 19.042 13.790 1.00 20.75 N ATOM 265 CA TRP A 433 6.838 20.165 12.905 1.00 17.80 C ATOM 266 C TRP A 433 5.418 20.494 12.448 1.00 17.25 C ATOM 267 O TRP A 433 4.630 19.620 12.125 1.00 16.52 O ATOM 268 CB TRP A 433 7.674 19.835 11.645 1.00 18.91 C ATOM 269 CG TRP A 433 7.936 21.015 10.815 1.00 17.68 C ATOM 270 CD1 TRP A 433 9.030 21.845 10.892 1.00 20.76 C ATOM 271 CD2 TRP A 433 7.104 21.547 9.751 1.00 16.31 C ATOM 272 NE1 TRP A 433 8.922 22.845 9.973 1.00 20.35 N ATOM 273 CE2 TRP A 433 7.760 22.700 9.257 1.00 19.44 C ATOM 274 CE3 TRP A 433 5.890 21.161 9.190 1.00 16.58 C ATOM 275 CZ2 TRP A 433 7.245 23.480 8.212 1.00 19.56 C ATOM 276 CZ3 TRP A 433 5.339 21.969 8.161 1.00 17.44 C ATOM 277 CH2 TRP A 433 6.032 23.104 7.687 1.00 17.60 C ATOM 278 HE1 TRP A 433 9.617 23.606 9.834 1.00 0.00 H ATOM 279 H TRP A 433 6.321 18.163 13.432 1.00 0.00 H ATOM 280 N TYR A 434 5.090 21.769 12.450 1.00 18.30 N ATOM 281 CA TYR A 434 3.771 22.245 12.050 1.00 19.30 C ATOM 282 C TYR A 434 3.860 23.315 10.993 1.00 16.28 C ATOM 283 O TYR A 434 4.851 24.037 10.886 1.00 17.22 O ATOM 284 CB TYR A 434 2.982 22.844 13.248 1.00 20.49 C ATOM 285 CG TYR A 434 2.867 21.908 14.412 1.00 19.92 C ATOM 286 CD1 TYR A 434 1.893 20.933 14.426 1.00 22.16 C ATOM 287 CD2 TYR A 434 3.803 21.941 15.466 1.00 22.15 C ATOM 288 CE1 TYR A 434 1.799 20.019 15.452 1.00 25.92 C ATOM 289 CE2 TYR A 434 3.707 21.035 16.514 1.00 25.04 C ATOM 290 CZ TYR A 434 2.704 20.075 16.475 1.00 25.89 C ATOM 291 OH TYR A 434 2.541 19.166 17.479 1.00 30.97 O ATOM 292 HH TYR A 434 2.362 19.642 18.328 1.00 0.00 H ATOM 293 H TYR A 434 5.801 22.466 12.749 1.00 0.00 H ATOM 294 N CYS A 435 2.746 23.503 10.294 1.00 18.62 N ATOM 295 CA CYS A 435 2.647 24.579 9.293 1.00 18.27 C ATOM 296 C CYS A 435 3.102 25.914 9.836 1.00 16.42 C ATOM 297 O CYS A 435 3.832 26.635 9.172 1.00 16.54 O ATOM 298 CB CYS A 435 1.255 24.710 8.671 1.00 19.28 C ATOM 299 SG CYS A 435 0.689 23.247 7.760 1.00 19.33 S ATOM 300 H CYS A 435 1.930 22.880 10.456 1.00 0.00 H ATOM 301 N SER A 436 2.772 26.184 11.103 1.00 16.97 N ATOM 302 CA SER A 436 3.155 27.445 11.758 1.00 19.02 C ATOM 303 C SER A 436 4.677 27.703 11.796 1.00 20.39 C ATOM 304 O SER A 436 5.108 28.847 11.905 1.00 18.41 O ATOM 305 CB SER A 436 2.535 27.439 13.178 1.00 19.67 C ATOM 306 OG SER A 436 2.749 28.668 13.840 1.00 17.77 O ATOM 307 HG SER A 436 2.333 29.399 13.318 1.00 0.00 H ATOM 308 H SER A 436 2.228 25.481 11.643 1.00 0.00 H ATOM 309 N ASN A 437 5.480 26.622 11.658 1.00 19.62 N ATOM 310 CA ASN A 437 6.925 26.692 11.678 1.00 19.05 C ATOM 311 C ASN A 437 7.525 26.975 10.291 1.00 19.44 C ATOM 312 O ASN A 437 8.713 27.154 10.176 1.00 19.68 O ATOM 313 CB ASN A 437 7.494 25.359 12.207 1.00 18.43 C ATOM 314 CG ASN A 437 7.041 25.024 13.610 1.00 18.39 C ATOM 315 OD1 ASN A 437 6.548 23.915 13.888 1.00 18.14 O ATOM 316 ND2 ASN A 437 7.220 25.966 14.513 1.00 20.16 N ATOM 317 HD22 ASN A 437 7.636 26.879 14.237 1.00 0.00 H ATOM 318 HD21 ASN A 437 6.946 25.797 15.502 1.00 0.00 H ATOM 319 H ASN A 437 5.034 25.691 11.531 1.00 0.00 H ATOM 320 N ASN A 438 6.708 27.018 9.258 1.00 18.48 N ATOM 321 CA ASN A 438 7.212 27.155 7.861 1.00 16.85 C ATOM 322 C ASN A 438 7.933 28.461 7.584 1.00 20.94 C ATOM 323 O ASN A 438 7.384 29.575 7.815 1.00 21.46 O ATOM 324 CB ASN A 438 6.054 26.948 6.921 1.00 20.95 C ATOM 325 CG ASN A 438 6.490 26.648 5.499 1.00 21.68 C ATOM 326 OD1 ASN A 438 7.639 26.916 5.086 1.00 24.80 O ATOM 327 ND2 ASN A 438 5.593 26.121 4.755 1.00 21.66 N ATOM 328 HD22 ASN A 438 4.650 25.916 5.143 1.00 0.00 H ATOM 329 HD21 ASN A 438 5.806 25.898 3.762 1.00 0.00 H ATOM 330 H ASN A 438 5.683 26.955 9.421 1.00 0.00 H ATOM 331 N PRO A 439 9.168 28.384 7.078 1.00 21.43 N ATOM 332 CA PRO A 439 9.793 29.658 6.701 1.00 21.85 C ATOM 333 C PRO A 439 9.097 30.431 5.565 1.00 22.07 C ATOM 334 O PRO A 439 9.353 31.623 5.409 1.00 22.80 O ATOM 335 CB PRO A 439 11.219 29.267 6.239 1.00 28.35 C ATOM 336 CG PRO A 439 11.283 27.807 6.282 1.00 24.78 C ATOM 337 CD PRO A 439 10.082 27.235 6.972 1.00 23.04 C ATOM 338 N ASP A 440 8.300 29.750 4.757 1.00 21.34 N ATOM 339 CA ASP A 440 7.533 30.398 3.676 1.00 23.29 C ATOM 340 C ASP A 440 6.244 30.987 4.281 1.00 20.21 C ATOM 341 O ASP A 440 5.345 30.233 4.696 1.00 19.05 O ATOM 342 CB ASP A 440 7.133 29.445 2.568 1.00 23.97 C ATOM 343 CG ASP A 440 6.545 30.174 1.358 1.00 30.71 C ATOM 344 OD1 ASP A 440 5.942 31.264 1.530 1.00 28.52 O ATOM 345 OD2 ASP A 440 6.642 29.652 0.216 1.00 32.29 O ATOM 346 H ASP A 440 8.211 28.722 4.889 1.00 0.00 H ATOM 347 N PRO A 441 6.141 32.334 4.288 1.00 21.05 N ATOM 348 CA PRO A 441 5.003 32.927 5.025 1.00 22.90 C ATOM 349 C PRO A 441 3.642 32.672 4.405 1.00 24.96 C ATOM 350 O PRO A 441 2.623 32.869 5.076 1.00 26.35 O ATOM 351 CB PRO A 441 5.318 34.411 5.017 1.00 25.38 C ATOM 352 CG PRO A 441 6.272 34.616 3.902 1.00 23.74 C ATOM 353 CD PRO A 441 7.073 33.346 3.800 1.00 22.26 C ATOM 354 N GLN A 442 3.605 32.268 3.132 1.00 24.88 N ATOM 355 CA GLN A 442 2.358 31.923 2.463 1.00 25.84 C ATOM 356 C GLN A 442 1.828 30.541 2.806 1.00 27.31 C ATOM 357 O GLN A 442 0.691 30.222 2.464 1.00 28.90 O ATOM 358 CB GLN A 442 2.500 32.015 0.931 1.00 28.07 C ATOM 359 CG GLN A 442 2.666 33.425 0.412 1.00 29.21 C ATOM 360 CD GLN A 442 2.668 33.447 -1.094 1.00 31.68 C ATOM 361 OE1 GLN A 442 2.871 32.415 -1.756 1.00 30.09 O ATOM 362 NE2 GLN A 442 2.419 34.606 -1.646 1.00 32.15 N ATOM 363 HE22 GLN A 442 2.256 35.442 -1.049 1.00 0.00 H ATOM 364 HE21 GLN A 442 2.384 34.692 -2.682 1.00 0.00 H ATOM 365 H GLN A 442 4.496 32.198 2.601 1.00 0.00 H ATOM 366 N PHE A 443 2.622 29.728 3.506 1.00 23.42 N ATOM 367 CA PHE A 443 2.197 28.372 3.824 1.00 21.49 C ATOM 368 C PHE A 443 2.328 28.098 5.317 1.00 23.25 C ATOM 369 O PHE A 443 2.728 27.022 5.692 1.00 22.60 O ATOM 370 CB PHE A 443 3.010 27.356 3.031 1.00 22.77 C ATOM 371 CG PHE A 443 2.685 27.366 1.559 1.00 24.82 C ATOM 372 CD1 PHE A 443 1.613 26.656 1.080 1.00 24.61 C ATOM 373 CD2 PHE A 443 3.440 28.094 0.703 1.00 26.33 C ATOM 374 CE1 PHE A 443 1.305 26.667 -0.242 1.00 30.07 C ATOM 375 CE2 PHE A 443 3.143 28.117 -0.648 1.00 34.03 C ATOM 376 CZ PHE A 443 2.051 27.425 -1.107 1.00 30.52 C ATOM 377 H PHE A 443 3.552 30.066 3.827 1.00 0.00 H ATOM 378 N ARG A 444 1.986 29.088 6.141 1.00 20.20 N ATOM 379 CA ARG A 444 2.259 29.042 7.567 1.00 18.40 C ATOM 380 C ARG A 444 1.045 28.657 8.450 1.00 19.95 C ATOM 381 O ARG A 444 1.036 28.881 9.665 1.00 18.36 O ATOM 382 CB ARG A 444 2.935 30.368 7.947 1.00 21.62 C ATOM 383 CG ARG A 444 3.816 30.373 9.168 1.00 26.49 C ATOM 384 CD ARG A 444 4.601 31.684 9.284 1.00 26.86 C ATOM 385 NE ARG A 444 5.852 31.754 8.498 1.00 25.29 N ATOM 386 CZ ARG A 444 6.549 32.874 8.271 1.00 23.50 C ATOM 387 NH1 ARG A 444 6.109 34.020 8.697 1.00 22.53 N ATOM 388 NH2 ARG A 444 7.697 32.880 7.583 1.00 25.70 N ATOM 389 HE ARG A 444 6.217 30.869 8.092 1.00 0.00 H ATOM 390 HH12 ARG A 444 6.656 34.886 8.517 1.00 0.00 H ATOM 391 HH11 ARG A 444 5.210 34.071 9.218 1.00 0.00 H ATOM 392 HH22 ARG A 444 8.207 33.773 7.430 1.00 0.00 H ATOM 393 HH21 ARG A 444 8.079 31.991 7.202 1.00 0.00 H ATOM 394 H ARG A 444 1.506 29.923 5.749 1.00 0.00 H ATOM 395 N ASN A 445 0.024 28.052 7.875 1.00 18.22 N ATOM 396 CA ASN A 445 -1.036 27.439 8.686 1.00 20.16 C ATOM 397 C ASN A 445 -1.722 26.280 7.960 1.00 17.42 C ATOM 398 O ASN A 445 -1.526 26.105 6.764 1.00 20.61 O ATOM 399 CB ASN A 445 -2.091 28.491 9.109 1.00 20.22 C ATOM 400 CG ASN A 445 -2.812 29.114 7.901 1.00 18.95 C ATOM 401 OD1 ASN A 445 -3.679 28.475 7.268 1.00 19.23 O ATOM 402 ND2 ASN A 445 -2.428 30.343 7.573 1.00 20.22 N ATOM 403 HD22 ASN A 445 -1.701 30.828 8.136 1.00 0.00 H ATOM 404 HD21 ASN A 445 -2.855 30.820 6.753 1.00 0.00 H ATOM 405 H ASN A 445 -0.031 28.009 6.837 1.00 0.00 H ATOM 406 N CYS A 446 -2.532 25.531 8.690 1.00 14.98 N ATOM 407 CA CYS A 446 -3.084 24.286 8.218 1.00 18.74 C ATOM 408 C CYS A 446 -4.206 24.473 7.190 1.00 21.27 C ATOM 409 O CYS A 446 -4.578 23.521 6.541 1.00 19.98 O ATOM 410 CB CYS A 446 -3.563 23.411 9.332 1.00 20.52 C ATOM 411 SG CYS A 446 -2.232 22.791 10.382 1.00 18.03 S ATOM 412 H CYS A 446 -2.781 25.855 9.646 1.00 0.00 H ATOM 413 N GLU A 447 -4.684 25.709 7.037 1.00 20.35 N ATOM 414 CA GLU A 447 -5.853 25.983 6.196 1.00 21.49 C ATOM 415 C GLU A 447 -5.410 26.183 4.748 1.00 23.01 C ATOM 416 O GLU A 447 -6.212 26.042 3.802 1.00 22.44 O ATOM 417 CB GLU A 447 -6.612 27.204 6.741 1.00 21.09 C ATOM 418 CG GLU A 447 -8.004 27.396 6.184 1.00 26.41 C ATOM 419 CD GLU A 447 -8.722 28.602 6.759 1.00 29.63 C ATOM 420 OE1 GLU A 447 -8.342 29.090 7.875 1.00 25.67 O ATOM 421 OE2 GLU A 447 -9.669 29.073 6.072 1.00 28.53 O ATOM 422 H GLU A 447 -4.216 26.498 7.527 1.00 0.00 H ATOM 423 N VAL A 448 -4.139 26.481 4.540 1.00 19.76 N ATOM 424 CA VAL A 448 -3.598 26.624 3.187 1.00 21.94 C ATOM 425 C VAL A 448 -3.493 25.275 2.485 1.00 25.36 C ATOM 426 O VAL A 448 -2.857 24.328 2.989 1.00 22.64 O ATOM 427 CB VAL A 448 -2.238 27.325 3.166 1.00 21.44 C ATOM 428 CG1 VAL A 448 -1.753 27.520 1.720 1.00 24.31 C ATOM 429 CG2 VAL A 448 -2.277 28.663 3.855 1.00 23.11 C ATOM 430 H VAL A 448 -3.509 26.617 5.356 1.00 0.00 H ATOM 431 N PRO A 449 -4.101 25.140 1.278 1.00 25.60 N ATOM 432 CA PRO A 449 -4.025 23.775 0.719 1.00 23.69 C ATOM 433 C PRO A 449 -2.600 23.345 0.366 1.00 18.54 C ATOM 434 O PRO A 449 -1.714 24.195 0.147 1.00 21.01 O ATOM 435 CB PRO A 449 -4.904 23.875 -0.565 1.00 27.28 C ATOM 436 CG PRO A 449 -5.847 25.043 -0.289 1.00 26.00 C ATOM 437 CD PRO A 449 -4.961 26.039 0.456 1.00 24.98 C ATOM 438 N GLU A 450 -2.387 22.036 0.269 1.00 23.12 N ATOM 439 CA GLU A 450 -1.073 21.506 -0.062 1.00 23.93 C ATOM 440 C GLU A 450 -0.733 21.815 -1.523 1.00 25.62 C ATOM 441 O GLU A 450 -1.590 21.587 -2.399 1.00 28.47 O ATOM 442 CB GLU A 450 -1.038 19.985 0.119 1.00 26.08 C ATOM 443 CG GLU A 450 0.268 19.368 -0.312 1.00 28.94 C ATOM 444 CD GLU A 450 0.399 17.861 -0.033 1.00 32.65 C ATOM 445 OE1 GLU A 450 -0.035 17.325 1.021 1.00 29.44 O ATOM 446 OE2 GLU A 450 1.033 17.193 -0.904 1.00 39.49 O ATOM 447 H GLU A 450 -3.175 21.378 0.433 1.00 0.00 H ATOM 448 N GLU A 451 0.487 22.303 -1.769 1.00 25.86 N ATOM 449 CA GLU A 451 0.986 22.573 -3.137 1.00 28.84 C ATOM 450 C GLU A 451 0.996 21.283 -3.964 1.00 32.61 C ATOM 451 O GLU A 451 1.286 20.195 -3.438 1.00 24.97 O ATOM 452 CB GLU A 451 2.389 23.187 -3.119 1.00 29.91 C ATOM 453 CG GLU A 451 2.432 24.628 -2.635 1.00 32.17 C ATOM 454 CD GLU A 451 3.759 25.337 -2.882 1.00 37.99 C ATOM 455 OE1 GLU A 451 3.787 26.291 -3.693 1.00 35.64 O ATOM 456 OE2 GLU A 451 4.777 24.963 -2.261 1.00 33.21 O ATOM 457 H GLU A 451 1.114 22.502 -0.963 1.00 0.00 H ATOM 458 N PRO A 452 0.619 21.387 -5.254 1.00 37.93 N ATOM 459 CA PRO A 452 0.771 20.253 -6.167 1.00 48.39 C ATOM 460 C PRO A 452 2.231 19.763 -6.371 1.00 47.67 C ATOM 461 O PRO A 452 3.140 20.581 -6.523 1.00 48.47 O ATOM 462 CB PRO A 452 0.240 20.812 -7.488 1.00 47.01 C ATOM 463 CG PRO A 452 -0.744 21.853 -7.118 1.00 45.25 C ATOM 464 CD PRO A 452 -0.203 22.463 -5.852 1.00 41.48 C ATOM 465 N GLU A 453 2.426 18.440 -6.399 1.00 61.93 N ATOM 466 CA GLU A 453 3.771 17.817 -6.511 1.00 65.74 C ATOM 467 C GLU A 453 4.548 18.210 -7.778 1.00 67.23 C ATOM 468 O GLU A 453 3.994 18.238 -8.877 1.00 70.56 O ATOM 469 CB GLU A 453 3.650 16.289 -6.425 1.00 64.75 C ATOM 470 CG GLU A 453 4.990 15.564 -6.406 1.00 68.76 C ATOM 471 CD GLU A 453 4.858 14.078 -6.110 1.00 70.46 C ATOM 472 OE1 GLU A 453 3.728 13.613 -5.836 1.00 73.19 O ATOM 473 OE2 GLU A 453 5.891 13.374 -6.144 1.00 61.06 O ATOM 474 H GLU A 453 1.596 17.817 -6.339 1.00 0.00 H TER 475 GLU A 453 ATOM 476 N PRO B 406 -23.341 30.416 32.327 1.00 51.89 N ATOM 477 CA PRO B 406 -23.207 30.078 30.887 1.00 49.65 C ATOM 478 C PRO B 406 -22.015 29.149 30.652 1.00 39.06 C ATOM 479 O PRO B 406 -20.930 29.417 31.161 1.00 35.24 O ATOM 480 CB PRO B 406 -22.987 31.449 30.208 1.00 52.67 C ATOM 481 CG PRO B 406 -22.743 32.439 31.335 1.00 56.97 C ATOM 482 CD PRO B 406 -22.682 31.691 32.653 1.00 55.54 C ATOM 483 HN2 PRO B 406 -22.908 29.658 32.893 1.00 0.00 H ATOM 484 HN1 PRO B 406 -24.351 30.489 32.563 1.00 0.00 H ATOM 485 N ASP B 407 -22.213 28.052 29.925 1.00 31.75 N ATOM 486 CA ASP B 407 -21.163 27.019 29.784 1.00 29.69 C ATOM 487 C ASP B 407 -19.957 27.535 28.970 1.00 24.26 C ATOM 488 O ASP B 407 -20.091 28.395 28.115 1.00 27.65 O ATOM 489 CB ASP B 407 -21.719 25.769 29.060 1.00 29.91 C ATOM 490 CG ASP B 407 -22.728 24.949 29.903 1.00 37.36 C ATOM 491 OD1 ASP B 407 -22.918 25.189 31.111 1.00 39.41 O ATOM 492 OD2 ASP B 407 -23.297 24.013 29.323 1.00 41.03 O ATOM 493 H ASP B 407 -23.126 27.918 29.445 1.00 0.00 H ATOM 494 N GLN B 408 -18.794 26.962 29.224 1.00 26.26 N ATOM 495 CA GLN B 408 -17.606 27.214 28.374 1.00 22.25 C ATOM 496 C GLN B 408 -17.744 26.397 27.092 1.00 22.05 C ATOM 497 O GLN B 408 -17.786 25.153 27.180 1.00 22.07 O ATOM 498 CB GLN B 408 -16.367 26.748 29.115 1.00 23.05 C ATOM 499 CG GLN B 408 -15.055 26.854 28.342 1.00 23.43 C ATOM 500 CD GLN B 408 -14.657 28.301 28.159 1.00 24.72 C ATOM 501 OE1 GLN B 408 -14.328 28.985 29.139 1.00 26.81 O ATOM 502 NE2 GLN B 408 -14.763 28.795 26.947 1.00 21.14 N ATOM 503 HE22 GLN B 408 -15.043 28.179 26.157 1.00 0.00 H ATOM 504 HE21 GLN B 408 -14.567 29.802 26.777 1.00 0.00 H ATOM 505 H GLN B 408 -18.710 26.320 30.038 1.00 0.00 H ATOM 506 N THR B 409 -17.821 27.079 25.946 1.00 20.82 N ATOM 507 CA THR B 409 -17.722 26.450 24.649 1.00 21.63 C ATOM 508 C THR B 409 -16.258 26.173 24.281 1.00 22.22 C ATOM 509 O THR B 409 -15.359 27.038 24.506 1.00 20.61 O ATOM 510 CB THR B 409 -18.335 27.304 23.525 1.00 24.90 C ATOM 511 OG1 THR B 409 -19.726 27.529 23.796 1.00 27.71 O ATOM 512 CG2 THR B 409 -18.214 26.600 22.171 1.00 25.12 C ATOM 513 HG1 THR B 409 -19.820 28.004 24.660 1.00 0.00 H ATOM 514 H THR B 409 -17.958 28.109 25.989 1.00 0.00 H ATOM 515 N TRP B 410 -16.018 24.976 23.736 1.00 19.55 N ATOM 516 CA TRP B 410 -14.719 24.658 23.114 1.00 18.18 C ATOM 517 C TRP B 410 -14.969 24.191 21.693 1.00 20.21 C ATOM 518 O TRP B 410 -16.005 23.558 21.428 1.00 21.71 O ATOM 519 CB TRP B 410 -13.935 23.563 23.823 1.00 17.53 C ATOM 520 CG TRP B 410 -13.794 23.576 25.315 1.00 17.06 C ATOM 521 CD1 TRP B 410 -14.787 23.590 26.245 1.00 17.63 C ATOM 522 CD2 TRP B 410 -12.569 23.550 26.031 1.00 18.79 C ATOM 523 NE1 TRP B 410 -14.254 23.571 27.497 1.00 19.99 N ATOM 524 CE2 TRP B 410 -12.889 23.523 27.403 1.00 19.41 C ATOM 525 CE3 TRP B 410 -11.227 23.472 25.651 1.00 17.69 C ATOM 526 CZ2 TRP B 410 -11.907 23.450 28.398 1.00 19.87 C ATOM 527 CZ3 TRP B 410 -10.238 23.430 26.657 1.00 19.54 C ATOM 528 CH2 TRP B 410 -10.594 23.409 28.002 1.00 19.58 C ATOM 529 HE1 TRP B 410 -14.797 23.590 28.384 1.00 0.00 H ATOM 530 H TRP B 410 -16.765 24.252 23.751 1.00 0.00 H ATOM 531 N VAL B 411 -13.993 24.442 20.810 1.00 16.91 N ATOM 532 CA VAL B 411 -14.023 23.966 19.424 1.00 16.98 C ATOM 533 C VAL B 411 -12.753 23.130 19.168 1.00 18.30 C ATOM 534 O VAL B 411 -11.674 23.420 19.723 1.00 18.65 O ATOM 535 CB VAL B 411 -14.167 25.127 18.450 1.00 17.89 C ATOM 536 CG1 VAL B 411 -13.014 26.162 18.533 1.00 16.58 C ATOM 537 CG2 VAL B 411 -14.349 24.658 17.008 1.00 19.48 C ATOM 538 H VAL B 411 -13.174 25.002 21.123 1.00 0.00 H ATOM 539 N GLN B 412 -12.865 22.093 18.330 1.00 16.07 N ATOM 540 CA GLN B 412 -11.743 21.231 18.040 1.00 16.75 C ATOM 541 C GLN B 412 -11.110 21.653 16.749 1.00 16.43 C ATOM 542 O GLN B 412 -11.802 21.916 15.729 1.00 18.83 O ATOM 543 CB GLN B 412 -12.178 19.755 17.956 1.00 16.99 C ATOM 544 CG GLN B 412 -11.027 18.845 17.704 1.00 19.40 C ATOM 545 CD GLN B 412 -11.414 17.399 17.819 1.00 22.78 C ATOM 546 OE1 GLN B 412 -12.290 16.942 17.082 1.00 24.88 O ATOM 547 NE2 GLN B 412 -10.751 16.672 18.696 1.00 23.10 N ATOM 548 HE22 GLN B 412 -10.022 17.113 19.292 1.00 0.00 H ATOM 549 HE21 GLN B 412 -10.957 15.657 18.792 1.00 0.00 H ATOM 550 H GLN B 412 -13.782 21.903 17.877 1.00 0.00 H ATOM 551 N CYS B 413 -9.785 21.778 16.786 1.00 17.11 N ATOM 552 CA CYS B 413 -9.035 22.035 15.550 1.00 15.86 C ATOM 553 C CYS B 413 -9.144 20.778 14.663 1.00 16.81 C ATOM 554 O CYS B 413 -8.769 19.694 15.062 1.00 18.14 O ATOM 555 CB CYS B 413 -7.577 22.421 15.859 1.00 13.80 C ATOM 556 SG CYS B 413 -6.584 22.586 14.330 1.00 17.44 S ATOM 557 H CYS B 413 -9.281 21.694 17.692 1.00 0.00 H ATOM 558 N ASP B 414 -9.610 20.957 13.439 1.00 19.57 N ATOM 559 CA ASP B 414 -9.775 19.814 12.522 1.00 23.27 C ATOM 560 C ASP B 414 -8.415 19.238 12.112 1.00 24.64 C ATOM 561 O ASP B 414 -8.350 18.093 11.715 1.00 30.06 O ATOM 562 CB ASP B 414 -10.619 20.215 11.297 1.00 25.38 C ATOM 563 CG ASP B 414 -12.140 20.286 11.622 1.00 25.67 C ATOM 564 OD1 ASP B 414 -12.694 19.249 11.991 1.00 38.16 O ATOM 565 OD2 ASP B 414 -12.785 21.361 11.565 1.00 30.92 O ATOM 566 H ASP B 414 -9.863 21.914 13.119 1.00 0.00 H ATOM 567 N ALA B 415 -7.331 20.003 12.260 1.00 21.69 N ATOM 568 CA ALA B 415 -5.960 19.512 11.966 1.00 21.51 C ATOM 569 C ALA B 415 -5.310 18.764 13.155 1.00 23.74 C ATOM 570 O ALA B 415 -5.111 17.523 13.122 1.00 24.89 O ATOM 571 CB ALA B 415 -5.084 20.686 11.488 1.00 21.49 C ATOM 572 H ALA B 415 -7.451 20.981 12.594 1.00 0.00 H ATOM 573 N CYS B 416 -5.028 19.468 14.255 1.00 18.21 N ATOM 574 CA CYS B 416 -4.303 18.855 15.378 1.00 19.76 C ATOM 575 C CYS B 416 -5.163 18.143 16.407 1.00 19.02 C ATOM 576 O CYS B 416 -4.633 17.453 17.280 1.00 19.75 O ATOM 577 CB CYS B 416 -3.395 19.894 16.062 1.00 19.17 C ATOM 578 SG CYS B 416 -4.317 21.118 17.041 1.00 19.10 S ATOM 579 H CYS B 416 -5.325 20.463 14.318 1.00 0.00 H ATOM 580 N LEU B 417 -6.485 18.316 16.297 1.00 21.19 N ATOM 581 CA LEU B 417 -7.489 17.771 17.215 1.00 17.96 C ATOM 582 C LEU B 417 -7.452 18.276 18.634 1.00 19.22 C ATOM 583 O LEU B 417 -8.184 17.777 19.511 1.00 18.11 O ATOM 584 CB LEU B 417 -7.445 16.235 17.201 1.00 22.96 C ATOM 585 CG LEU B 417 -7.573 15.604 15.802 1.00 22.94 C ATOM 586 CD1 LEU B 417 -7.450 14.076 16.034 1.00 26.82 C ATOM 587 CD2 LEU B 417 -8.869 15.922 15.127 1.00 24.19 C ATOM 588 H LEU B 417 -6.828 18.883 15.495 1.00 0.00 H ATOM 589 N LYS B 418 -6.656 19.315 18.891 1.00 17.06 N ATOM 590 CA LYS B 418 -6.694 19.980 20.209 1.00 16.93 C ATOM 591 C LYS B 418 -7.962 20.830 20.317 1.00 15.66 C ATOM 592 O LYS B 418 -8.496 21.329 19.307 1.00 17.06 O ATOM 593 CB LYS B 418 -5.489 20.927 20.417 1.00 17.31 C ATOM 594 CG LYS B 418 -4.118 20.262 20.442 1.00 18.84 C ATOM 595 CD LYS B 418 -2.996 21.295 20.623 1.00 20.20 C ATOM 596 CE LYS B 418 -1.616 20.642 20.661 1.00 19.25 C ATOM 597 NZ LYS B 418 -1.169 20.167 19.355 1.00 22.92 N ATOM 598 HZ1 LYS B 418 -1.842 19.460 18.996 1.00 0.00 H ATOM 599 HZ2 LYS B 418 -1.120 20.969 18.694 1.00 0.00 H ATOM 600 HZ3 LYS B 418 -0.228 19.735 19.448 1.00 0.00 H ATOM 601 H LYS B 418 -6.004 19.659 18.158 1.00 0.00 H ATOM 602 N TRP B 419 -8.493 20.908 21.527 1.00 16.57 N ATOM 603 CA TRP B 419 -9.667 21.703 21.849 1.00 16.02 C ATOM 604 C TRP B 419 -9.252 23.097 22.315 1.00 16.27 C ATOM 605 O TRP B 419 -8.371 23.222 23.180 1.00 17.15 O ATOM 606 CB TRP B 419 -10.418 21.062 23.001 1.00 17.35 C ATOM 607 CG TRP B 419 -11.073 19.748 22.596 1.00 19.44 C ATOM 608 CD1 TRP B 419 -10.548 18.485 22.726 1.00 20.55 C ATOM 609 CD2 TRP B 419 -12.317 19.601 21.914 1.00 18.29 C ATOM 610 NE1 TRP B 419 -11.416 17.551 22.180 1.00 19.49 N ATOM 611 CE2 TRP B 419 -12.529 18.196 21.717 1.00 18.25 C ATOM 612 CE3 TRP B 419 -13.310 20.492 21.512 1.00 16.90 C ATOM 613 CZ2 TRP B 419 -13.704 17.685 21.120 1.00 19.24 C ATOM 614 CZ3 TRP B 419 -14.491 19.980 20.941 1.00 18.07 C ATOM 615 CH2 TRP B 419 -14.661 18.587 20.730 1.00 18.74 C ATOM 616 HE1 TRP B 419 -11.247 16.526 22.131 1.00 0.00 H ATOM 617 H TRP B 419 -8.043 20.368 22.294 1.00 0.00 H ATOM 618 N ARG B 420 -9.923 24.110 21.783 1.00 15.16 N ATOM 619 CA ARG B 420 -9.631 25.511 22.081 1.00 16.77 C ATOM 620 C ARG B 420 -10.876 26.169 22.671 1.00 18.18 C ATOM 621 O ARG B 420 -11.961 26.095 22.086 1.00 17.77 O ATOM 622 CB ARG B 420 -9.280 26.240 20.806 1.00 16.29 C ATOM 623 CG ARG B 420 -8.079 25.691 20.036 1.00 16.21 C ATOM 624 CD ARG B 420 -6.862 25.490 20.939 1.00 17.03 C ATOM 625 NE ARG B 420 -5.628 25.240 20.176 1.00 17.53 N ATOM 626 CZ ARG B 420 -4.432 25.006 20.733 1.00 17.53 C ATOM 627 NH1 ARG B 420 -4.321 24.932 22.048 1.00 16.17 N ATOM 628 NH2 ARG B 420 -3.364 24.772 19.971 1.00 15.96 N ATOM 629 HE ARG B 420 -5.688 25.245 19.138 1.00 0.00 H ATOM 630 HH12 ARG B 420 -3.394 24.750 22.482 1.00 0.00 H ATOM 631 HH11 ARG B 420 -5.161 25.055 22.649 1.00 0.00 H ATOM 632 HH22 ARG B 420 -2.440 24.591 20.412 1.00 0.00 H ATOM 633 HH21 ARG B 420 -3.455 24.770 18.935 1.00 0.00 H ATOM 634 H ARG B 420 -10.696 23.897 21.120 1.00 0.00 H ATOM 635 N LYS B 421 -10.719 26.793 23.840 1.00 17.10 N ATOM 636 CA LYS B 421 -11.813 27.612 24.374 1.00 20.24 C ATOM 637 C LYS B 421 -12.222 28.741 23.446 1.00 19.06 C ATOM 638 O LYS B 421 -11.379 29.385 22.819 1.00 18.44 O ATOM 639 CB LYS B 421 -11.404 28.197 25.727 1.00 19.01 C ATOM 640 CG LYS B 421 -11.139 27.168 26.766 1.00 22.90 C ATOM 641 CD LYS B 421 -10.893 27.860 28.106 1.00 22.52 C ATOM 642 CE LYS B 421 -10.575 26.821 29.128 1.00 28.41 C ATOM 643 NZ LYS B 421 -10.549 27.409 30.484 1.00 29.30 N ATOM 644 HZ1 LYS B 421 -9.823 28.153 30.524 1.00 0.00 H ATOM 645 HZ2 LYS B 421 -11.480 27.819 30.701 1.00 0.00 H ATOM 646 HZ3 LYS B 421 -10.326 26.667 31.178 1.00 0.00 H ATOM 647 H LYS B 421 -9.828 26.700 24.368 1.00 0.00 H ATOM 648 N LEU B 422 -13.531 28.982 23.353 1.00 19.27 N ATOM 649 CA LEU B 422 -14.084 30.143 22.653 1.00 20.83 C ATOM 650 C LEU B 422 -14.888 31.048 23.599 1.00 24.88 C ATOM 651 O LEU B 422 -15.388 30.602 24.612 1.00 24.56 O ATOM 652 CB LEU B 422 -14.983 29.725 21.512 1.00 21.24 C ATOM 653 CG LEU B 422 -14.437 28.965 20.315 1.00 20.81 C ATOM 654 CD1 LEU B 422 -15.565 28.705 19.338 1.00 22.66 C ATOM 655 CD2 LEU B 422 -13.357 29.786 19.648 1.00 21.03 C ATOM 656 H LEU B 422 -14.190 28.313 23.799 1.00 0.00 H ATOM 657 N PRO B 423 -14.931 32.346 23.308 1.00 27.95 N ATOM 658 CA PRO B 423 -15.765 33.197 24.174 1.00 35.96 C ATOM 659 C PRO B 423 -17.267 32.944 23.903 1.00 34.19 C ATOM 660 O PRO B 423 -17.644 32.362 22.883 1.00 35.50 O ATOM 661 CB PRO B 423 -15.338 34.620 23.768 1.00 33.66 C ATOM 662 CG PRO B 423 -14.935 34.493 22.347 1.00 32.36 C ATOM 663 CD PRO B 423 -14.236 33.136 22.274 1.00 32.45 C ATOM 664 N ASP B 424 -18.123 33.341 24.819 1.00 38.87 N ATOM 665 CA ASP B 424 -19.541 32.946 24.690 1.00 54.11 C ATOM 666 C ASP B 424 -20.256 33.398 23.425 1.00 61.79 C ATOM 667 O ASP B 424 -21.150 32.699 22.933 1.00 72.86 O ATOM 668 CB ASP B 424 -20.341 33.436 25.900 1.00 54.53 C ATOM 669 CG ASP B 424 -19.899 32.781 27.174 1.00 54.16 C ATOM 670 OD1 ASP B 424 -19.389 31.633 27.096 1.00 54.60 O ATOM 671 OD2 ASP B 424 -20.042 33.406 28.250 1.00 53.14 O ATOM 672 H ASP B 424 -17.807 33.923 25.621 1.00 0.00 H ATOM 673 N GLY B 425 -19.867 34.552 22.893 1.00 67.63 N ATOM 674 CA GLY B 425 -20.628 35.191 21.817 1.00 83.01 C ATOM 675 C GLY B 425 -21.031 34.358 20.599 1.00 87.59 C ATOM 676 O GLY B 425 -22.082 34.608 20.003 1.00 87.17 O ATOM 677 H GLY B 425 -19.004 35.011 23.248 1.00 0.00 H ATOM 678 N MET B 426 -20.233 33.355 20.235 1.00 81.56 N ATOM 679 CA MET B 426 -20.195 32.925 18.832 1.00 83.01 C ATOM 680 C MET B 426 -20.796 31.565 18.490 1.00 88.28 C ATOM 681 O MET B 426 -20.213 30.515 18.750 1.00 78.46 O ATOM 682 CB MET B 426 -18.763 33.023 18.287 1.00 72.56 C ATOM 683 CG MET B 426 -17.711 32.293 19.103 1.00 65.39 C ATOM 684 SD MET B 426 -16.081 33.018 18.867 1.00 56.70 S ATOM 685 CE MET B 426 -15.718 32.626 17.143 1.00 46.69 C ATOM 686 H MET B 426 -19.639 32.878 20.943 1.00 0.00 H ATOM 687 N ASP B 427 -21.988 31.612 17.902 1.00 91.76 N ATOM 688 CA ASP B 427 -22.445 30.561 17.014 1.00 85.35 C ATOM 689 C ASP B 427 -21.903 30.993 15.643 1.00 83.41 C ATOM 690 O ASP B 427 -20.995 31.841 15.559 1.00 76.13 O ATOM 691 CB ASP B 427 -23.976 30.464 17.022 1.00 81.28 C ATOM 692 H ASP B 427 -22.610 32.426 18.084 1.00 0.00 H ATOM 693 N GLN B 428 -22.444 30.418 14.573 1.00 68.14 N ATOM 694 CA GLN B 428 -22.034 30.791 13.233 1.00 60.63 C ATOM 695 C GLN B 428 -20.539 30.490 12.986 1.00 50.20 C ATOM 696 O GLN B 428 -19.859 31.258 12.305 1.00 49.40 O ATOM 697 CB GLN B 428 -22.342 32.284 12.997 1.00 65.10 C ATOM 698 H GLN B 428 -23.174 29.688 14.699 1.00 0.00 H ATOM 699 N LEU B 429 -20.032 29.383 13.539 1.00 40.55 N ATOM 700 CA LEU B 429 -18.712 28.838 13.140 1.00 35.60 C ATOM 701 C LEU B 429 -18.741 28.139 11.787 1.00 35.08 C ATOM 702 O LEU B 429 -19.736 27.533 11.423 1.00 34.68 O ATOM 703 CB LEU B 429 -18.187 27.831 14.169 1.00 35.48 C ATOM 704 CG LEU B 429 -17.914 28.381 15.566 1.00 34.89 C ATOM 705 CD1 LEU B 429 -17.686 27.228 16.533 1.00 34.15 C ATOM 706 CD2 LEU B 429 -16.723 29.334 15.549 1.00 33.24 C ATOM 707 H LEU B 429 -20.581 28.889 14.272 1.00 0.00 H ATOM 708 N PRO B 430 -17.620 28.174 11.053 1.00 33.26 N ATOM 709 CA PRO B 430 -17.533 27.456 9.797 1.00 33.77 C ATOM 710 C PRO B 430 -17.565 25.942 9.991 1.00 37.62 C ATOM 711 O PRO B 430 -17.351 25.450 11.115 1.00 35.27 O ATOM 712 CB PRO B 430 -16.182 27.919 9.222 1.00 34.00 C ATOM 713 CG PRO B 430 -15.380 28.288 10.422 1.00 36.13 C ATOM 714 CD PRO B 430 -16.387 28.924 11.342 1.00 36.41 C ATOM 715 N GLU B 431 -17.828 25.223 8.899 1.00 33.63 N ATOM 716 CA GLU B 431 -17.824 23.758 8.869 1.00 35.89 C ATOM 717 C GLU B 431 -16.489 23.167 9.311 1.00 35.78 C ATOM 718 O GLU B 431 -16.447 22.182 10.066 1.00 37.96 O ATOM 719 CB GLU B 431 -18.144 23.233 7.460 1.00 48.44 C ATOM 720 CG GLU B 431 -18.275 21.694 7.315 1.00 57.63 C ATOM 721 CD GLU B 431 -19.696 21.164 7.599 1.00 75.37 C ATOM 722 OE1 GLU B 431 -20.580 21.964 8.005 1.00 85.13 O ATOM 723 OE2 GLU B 431 -19.945 19.942 7.426 1.00 63.06 O ATOM 724 H GLU B 431 -18.048 25.731 8.019 1.00 0.00 H ATOM 725 N LYS B 432 -15.399 23.730 8.813 1.00 32.42 N ATOM 726 CA LYS B 432 -14.072 23.300 9.277 1.00 33.52 C ATOM 727 C LYS B 432 -13.445 24.443 10.059 1.00 26.86 C ATOM 728 O LYS B 432 -13.636 25.608 9.727 1.00 26.41 O ATOM 729 CB LYS B 432 -13.204 22.871 8.105 1.00 41.87 C ATOM 730 CG LYS B 432 -13.672 21.563 7.465 1.00 48.90 C ATOM 731 CD LYS B 432 -12.625 21.009 6.499 1.00 57.73 C ATOM 732 CE LYS B 432 -11.519 20.262 7.224 1.00 64.55 C ATOM 733 NZ LYS B 432 -12.044 19.021 7.850 1.00 67.65 N ATOM 734 HZ1 LYS B 432 -12.788 19.267 8.534 1.00 0.00 H ATOM 735 HZ2 LYS B 432 -12.440 18.403 7.113 1.00 0.00 H ATOM 736 HZ3 LYS B 432 -11.271 18.527 8.340 1.00 0.00 H ATOM 737 H LYS B 432 -15.482 24.476 8.094 1.00 0.00 H ATOM 738 N TRP B 433 -12.712 24.117 11.128 1.00 24.40 N ATOM 739 CA TRP B 433 -12.168 25.147 11.969 1.00 20.95 C ATOM 740 C TRP B 433 -10.730 24.742 12.341 1.00 19.65 C ATOM 741 O TRP B 433 -10.495 23.582 12.622 1.00 18.27 O ATOM 742 CB TRP B 433 -13.007 25.270 13.254 1.00 22.12 C ATOM 743 CG TRP B 433 -12.627 26.459 14.105 1.00 18.70 C ATOM 744 CD1 TRP B 433 -13.166 27.733 14.068 1.00 21.03 C ATOM 745 CD2 TRP B 433 -11.634 26.476 15.165 1.00 19.46 C ATOM 746 NE1 TRP B 433 -12.551 28.539 15.029 1.00 22.98 N ATOM 747 CE2 TRP B 433 -11.598 27.797 15.695 1.00 18.69 C ATOM 748 CE3 TRP B 433 -10.716 25.531 15.645 1.00 18.53 C ATOM 749 CZ2 TRP B 433 -10.702 28.170 16.723 1.00 20.35 C ATOM 750 CZ3 TRP B 433 -9.841 25.904 16.673 1.00 17.40 C ATOM 751 CH2 TRP B 433 -9.836 27.209 17.177 1.00 18.31 C ATOM 752 HE1 TRP B 433 -12.776 29.538 15.213 1.00 0.00 H ATOM 753 H TRP B 433 -12.535 23.117 11.351 1.00 0.00 H ATOM 754 N TYR B 434 -9.805 25.712 12.361 1.00 19.36 N ATOM 755 CA TYR B 434 -8.398 25.420 12.684 1.00 20.13 C ATOM 756 C TYR B 434 -7.915 26.385 13.735 1.00 16.79 C ATOM 757 O TYR B 434 -8.456 27.512 13.885 1.00 18.16 O ATOM 758 CB TYR B 434 -7.502 25.559 11.441 1.00 21.61 C ATOM 759 CG TYR B 434 -7.952 24.699 10.278 1.00 23.23 C ATOM 760 CD1 TYR B 434 -7.523 23.388 10.175 1.00 26.65 C ATOM 761 CD2 TYR B 434 -8.824 25.178 9.336 1.00 27.63 C ATOM 762 CE1 TYR B 434 -7.955 22.577 9.134 1.00 33.01 C ATOM 763 CE2 TYR B 434 -9.232 24.397 8.269 1.00 29.18 C ATOM 764 CZ TYR B 434 -8.794 23.091 8.189 1.00 33.63 C ATOM 765 OH TYR B 434 -9.178 22.267 7.158 1.00 43.13 O ATOM 766 HH TYR B 434 -8.763 21.376 7.277 1.00 0.00 H ATOM 767 H TYR B 434 -10.086 26.690 12.144 1.00 0.00 H ATOM 768 N CYS B 435 -6.866 25.990 14.449 1.00 18.86 N ATOM 769 CA CYS B 435 -6.237 26.898 15.436 1.00 17.59 C ATOM 770 C CYS B 435 -6.005 28.313 14.867 1.00 17.73 C ATOM 771 O CYS B 435 -6.203 29.303 15.537 1.00 17.90 O ATOM 772 CB CYS B 435 -4.900 26.313 15.964 1.00 16.83 C ATOM 773 SG CYS B 435 -5.068 24.836 16.969 1.00 17.75 S ATOM 774 H CYS B 435 -6.482 25.033 14.313 1.00 0.00 H ATOM 775 N SER B 436 -5.621 28.397 13.600 1.00 16.02 N ATOM 776 CA SER B 436 -5.331 29.662 12.948 1.00 17.24 C ATOM 777 C SER B 436 -6.512 30.645 12.933 1.00 18.13 C ATOM 778 O SER B 436 -6.278 31.866 12.825 1.00 17.21 O ATOM 779 CB SER B 436 -4.852 29.346 11.537 1.00 19.75 C ATOM 780 OG SER B 436 -4.351 30.464 10.908 1.00 21.17 O ATOM 781 HG SER B 436 -3.585 30.817 11.426 1.00 0.00 H ATOM 782 H SER B 436 -5.523 27.520 13.050 1.00 0.00 H ATOM 783 N ASN B 437 -7.731 30.126 13.100 1.00 18.74 N ATOM 784 CA ASN B 437 -8.980 30.912 13.113 1.00 17.55 C ATOM 785 C ASN B 437 -9.311 31.423 14.534 1.00 19.51 C ATOM 786 O ASN B 437 -10.310 32.144 14.711 1.00 22.92 O ATOM 787 CB ASN B 437 -10.181 30.052 12.620 1.00 21.27 C ATOM 788 CG ASN B 437 -9.990 29.435 11.237 1.00 19.78 C ATOM 789 OD1 ASN B 437 -10.231 28.217 11.048 1.00 22.69 O ATOM 790 ND2 ASN B 437 -9.532 30.232 10.271 1.00 20.73 N ATOM 791 HD22 ASN B 437 -9.345 31.236 10.470 1.00 0.00 H ATOM 792 HD21 ASN B 437 -9.362 29.850 9.319 1.00 0.00 H ATOM 793 H ASN B 437 -7.805 29.097 13.230 1.00 0.00 H ATOM 794 N ASN B 438 -8.563 31.013 15.574 1.00 18.88 N ATOM 795 CA ASN B 438 -8.895 31.356 16.960 1.00 17.25 C ATOM 796 C ASN B 438 -8.945 32.862 17.245 1.00 17.91 C ATOM 797 O ASN B 438 -7.951 33.571 17.047 1.00 16.58 O ATOM 798 CB ASN B 438 -7.895 30.700 17.899 1.00 18.49 C ATOM 799 CG ASN B 438 -8.429 30.530 19.336 1.00 17.76 C ATOM 800 OD1 ASN B 438 -9.361 31.208 19.783 1.00 18.87 O ATOM 801 ND2 ASN B 438 -7.842 29.582 20.062 1.00 16.67 N ATOM 802 HD22 ASN B 438 -7.060 29.028 19.659 1.00 0.00 H ATOM 803 HD21 ASN B 438 -8.165 29.395 21.033 1.00 0.00 H ATOM 804 H ASN B 438 -7.720 30.433 15.388 1.00 0.00 H ATOM 805 N PRO B 439 -10.060 33.364 17.803 1.00 19.30 N ATOM 806 CA PRO B 439 -10.051 34.754 18.306 1.00 20.11 C ATOM 807 C PRO B 439 -9.023 35.041 19.395 1.00 19.14 C ATOM 808 O PRO B 439 -8.637 36.182 19.539 1.00 19.89 O ATOM 809 CB PRO B 439 -11.432 34.940 18.926 1.00 21.40 C ATOM 810 CG PRO B 439 -12.247 33.801 18.483 1.00 23.89 C ATOM 811 CD PRO B 439 -11.373 32.710 17.968 1.00 20.98 C ATOM 812 N ASP B 440 -8.578 34.033 20.145 1.00 18.15 N ATOM 813 CA ASP B 440 -7.558 34.221 21.147 1.00 18.44 C ATOM 814 C ASP B 440 -6.169 34.093 20.480 1.00 16.18 C ATOM 815 O ASP B 440 -5.811 33.010 19.960 1.00 17.02 O ATOM 816 CB ASP B 440 -7.666 33.221 22.292 1.00 19.58 C ATOM 817 CG ASP B 440 -6.684 33.518 23.421 1.00 24.25 C ATOM 818 OD1 ASP B 440 -5.526 34.044 23.207 1.00 21.39 O ATOM 819 OD2 ASP B 440 -7.051 33.210 24.567 1.00 20.58 O ATOM 820 H ASP B 440 -8.978 33.083 20.004 1.00 0.00 H ATOM 821 N PRO B 441 -5.399 35.211 20.430 1.00 17.10 N ATOM 822 CA PRO B 441 -4.159 35.171 19.652 1.00 16.99 C ATOM 823 C PRO B 441 -3.016 34.332 20.266 1.00 16.63 C ATOM 824 O PRO B 441 -2.008 34.120 19.572 1.00 19.70 O ATOM 825 CB PRO B 441 -3.762 36.677 19.528 1.00 16.43 C ATOM 826 CG PRO B 441 -4.312 37.273 20.772 1.00 18.32 C ATOM 827 CD PRO B 441 -5.641 36.558 20.976 1.00 18.77 C ATOM 828 N GLN B 442 -3.143 33.940 21.547 1.00 16.90 N ATOM 829 CA GLN B 442 -2.192 33.031 22.200 1.00 17.34 C ATOM 830 C GLN B 442 -2.490 31.530 21.971 1.00 18.12 C ATOM 831 O GLN B 442 -1.703 30.685 22.414 1.00 18.65 O ATOM 832 CB GLN B 442 -2.097 33.375 23.685 1.00 21.25 C ATOM 833 CG GLN B 442 -1.359 34.718 23.843 1.00 24.07 C ATOM 834 CD GLN B 442 -0.739 34.881 25.209 1.00 28.90 C ATOM 835 OE1 GLN B 442 -1.482 34.989 26.175 1.00 29.89 O ATOM 836 NE2 GLN B 442 0.617 34.859 25.307 1.00 28.22 N ATOM 837 HE22 GLN B 442 1.199 34.765 24.450 1.00 0.00 H ATOM 838 HE21 GLN B 442 1.072 34.936 26.239 1.00 0.00 H ATOM 839 H GLN B 442 -3.950 34.296 22.099 1.00 0.00 H ATOM 840 N PHE B 443 -3.560 31.203 21.235 1.00 17.18 N ATOM 841 CA PHE B 443 -3.901 29.791 20.924 1.00 15.84 C ATOM 842 C PHE B 443 -4.227 29.630 19.440 1.00 16.60 C ATOM 843 O PHE B 443 -5.222 28.974 19.049 1.00 17.55 O ATOM 844 CB PHE B 443 -5.064 29.306 21.774 1.00 14.52 C ATOM 845 CG PHE B 443 -4.761 29.237 23.268 1.00 17.59 C ATOM 846 CD1 PHE B 443 -4.174 28.096 23.831 1.00 20.10 C ATOM 847 CD2 PHE B 443 -5.020 30.300 24.083 1.00 18.92 C ATOM 848 CE1 PHE B 443 -3.878 28.032 25.174 1.00 22.23 C ATOM 849 CE2 PHE B 443 -4.711 30.246 25.429 1.00 23.26 C ATOM 850 CZ PHE B 443 -4.140 29.107 25.977 1.00 22.72 C ATOM 851 H PHE B 443 -4.171 31.961 20.870 1.00 0.00 H ATOM 852 N ARG B 444 -3.389 30.232 18.626 1.00 16.62 N ATOM 853 CA ARG B 444 -3.714 30.448 17.221 1.00 16.53 C ATOM 854 C ARG B 444 -2.851 29.626 16.304 1.00 15.48 C ATOM 855 O ARG B 444 -2.810 29.886 15.069 1.00 17.55 O ATOM 856 CB ARG B 444 -3.648 31.957 16.874 1.00 18.04 C ATOM 857 CG ARG B 444 -4.312 32.332 15.557 1.00 18.71 C ATOM 858 CD ARG B 444 -4.387 33.864 15.365 1.00 18.71 C ATOM 859 NE ARG B 444 -5.426 34.490 16.198 1.00 18.16 N ATOM 860 CZ ARG B 444 -5.531 35.811 16.431 1.00 21.67 C ATOM 861 NH1 ARG B 444 -4.630 36.686 15.968 1.00 20.80 N ATOM 862 NH2 ARG B 444 -6.501 36.269 17.202 1.00 20.76 N ATOM 863 HE ARG B 444 -6.131 33.865 16.639 1.00 0.00 H ATOM 864 HH12 ARG B 444 -4.741 37.701 16.166 1.00 0.00 H ATOM 865 HH11 ARG B 444 -3.819 36.351 15.410 1.00 0.00 H ATOM 866 HH22 ARG B 444 -6.583 37.290 17.383 1.00 0.00 H ATOM 867 HH21 ARG B 444 -7.182 35.609 17.628 1.00 0.00 H ATOM 868 H ARG B 444 -2.473 30.562 18.992 1.00 0.00 H ATOM 869 N ASN B 445 -2.112 28.643 16.842 1.00 16.77 N ATOM 870 CA ASN B 445 -1.524 27.629 15.983 1.00 16.97 C ATOM 871 C ASN B 445 -1.484 26.271 16.678 1.00 16.46 C ATOM 872 O ASN B 445 -1.676 26.186 17.879 1.00 15.69 O ATOM 873 CB ASN B 445 -0.146 28.072 15.514 1.00 17.77 C ATOM 874 CG ASN B 445 0.810 28.205 16.671 1.00 16.25 C ATOM 875 OD1 ASN B 445 1.242 27.209 17.198 1.00 18.19 O ATOM 876 ND2 ASN B 445 1.106 29.440 17.086 1.00 16.36 N ATOM 877 HD22 ASN B 445 0.705 30.264 16.594 1.00 0.00 H ATOM 878 HD21 ASN B 445 1.737 29.577 17.901 1.00 0.00 H ATOM 879 H ASN B 445 -1.961 28.607 17.870 1.00 0.00 H ATOM 880 N CYS B 446 -1.232 25.211 15.934 1.00 17.22 N ATOM 881 CA CYS B 446 -1.348 23.813 16.436 1.00 16.30 C ATOM 882 C CYS B 446 -0.181 23.474 17.406 1.00 16.56 C ATOM 883 O CYS B 446 -0.219 22.446 18.042 1.00 15.85 O ATOM 884 CB CYS B 446 -1.345 22.822 15.280 1.00 16.54 C ATOM 885 SG CYS B 446 -2.783 22.962 14.162 1.00 18.71 S ATOM 886 H CYS B 446 -0.938 25.359 14.948 1.00 0.00 H ATOM 887 N GLU B 447 0.878 24.294 17.452 1.00 15.49 N ATOM 888 CA GLU B 447 2.024 23.976 18.326 1.00 17.20 C ATOM 889 C GLU B 447 1.675 24.255 19.779 1.00 16.39 C ATOM 890 O GLU B 447 2.306 23.717 20.700 1.00 17.77 O ATOM 891 CB GLU B 447 3.271 24.758 17.905 1.00 18.10 C ATOM 892 CG GLU B 447 4.541 24.312 18.622 1.00 19.54 C ATOM 893 CD GLU B 447 5.785 25.088 18.199 1.00 21.75 C ATOM 894 OE1 GLU B 447 5.794 25.724 17.149 1.00 19.47 O ATOM 895 OE2 GLU B 447 6.802 25.058 18.929 1.00 19.86 O ATOM 896 H GLU B 447 0.892 25.156 16.871 1.00 0.00 H ATOM 897 N VAL B 448 0.744 25.170 20.036 1.00 17.28 N ATOM 898 CA VAL B 448 0.423 25.536 21.417 1.00 16.47 C ATOM 899 C VAL B 448 -0.345 24.368 22.116 1.00 18.91 C ATOM 900 O VAL B 448 -1.374 23.857 21.630 1.00 15.85 O ATOM 901 CB VAL B 448 -0.462 26.809 21.508 1.00 16.87 C ATOM 902 CG1 VAL B 448 -0.718 27.182 22.967 1.00 18.40 C ATOM 903 CG2 VAL B 448 0.136 27.990 20.757 1.00 19.03 C ATOM 904 H VAL B 448 0.240 25.629 19.250 1.00 0.00 H ATOM 905 N PRO B 449 0.154 23.914 23.280 1.00 18.91 N ATOM 906 CA PRO B 449 -0.548 22.842 23.973 1.00 20.88 C ATOM 907 C PRO B 449 -2.008 23.178 24.285 1.00 19.02 C ATOM 908 O PRO B 449 -2.372 24.369 24.459 1.00 16.90 O ATOM 909 CB PRO B 449 0.259 22.694 25.282 1.00 22.35 C ATOM 910 CG PRO B 449 1.628 23.230 24.937 1.00 24.22 C ATOM 911 CD PRO B 449 1.407 24.305 23.949 1.00 23.47 C ATOM 912 N GLU B 450 -2.838 22.135 24.384 1.00 17.16 N ATOM 913 CA GLU B 450 -4.218 22.273 24.765 1.00 17.28 C ATOM 914 C GLU B 450 -4.294 22.713 26.213 1.00 20.29 C ATOM 915 O GLU B 450 -3.590 22.173 27.058 1.00 23.09 O ATOM 916 CB GLU B 450 -4.975 20.927 24.582 1.00 18.99 C ATOM 917 CG GLU B 450 -6.437 20.995 24.920 1.00 20.95 C ATOM 918 CD GLU B 450 -7.197 19.707 24.651 1.00 27.27 C ATOM 919 OE1 GLU B 450 -7.169 19.225 23.509 1.00 22.11 O ATOM 920 OE2 GLU B 450 -7.887 19.215 25.585 1.00 31.66 O ATOM 921 H GLU B 450 -2.471 21.184 24.177 1.00 0.00 H ATOM 922 N GLU B 451 -5.101 23.728 26.478 1.00 17.50 N ATOM 923 CA GLU B 451 -5.367 24.139 27.876 1.00 21.64 C ATOM 924 C GLU B 451 -6.093 23.058 28.652 1.00 20.91 C ATOM 925 O GLU B 451 -7.081 22.468 28.158 1.00 21.01 O ATOM 926 CB GLU B 451 -6.320 25.306 27.916 1.00 25.62 C ATOM 927 CG GLU B 451 -5.807 26.600 27.429 1.00 33.10 C ATOM 928 CD GLU B 451 -6.753 27.706 27.867 1.00 38.42 C ATOM 929 OE1 GLU B 451 -6.635 28.178 29.002 1.00 41.56 O ATOM 930 OE2 GLU B 451 -7.625 28.087 27.087 1.00 26.83 O ATOM 931 H GLU B 451 -5.553 24.243 25.696 1.00 0.00 H ATOM 932 N PRO B 452 -5.657 22.820 29.911 1.00 28.20 N ATOM 933 CA PRO B 452 -6.305 21.875 30.838 1.00 33.75 C ATOM 934 C PRO B 452 -7.756 22.246 31.083 1.00 29.03 C ATOM 935 O PRO B 452 -8.062 23.433 31.098 1.00 28.04 O ATOM 936 CB PRO B 452 -5.530 22.080 32.149 1.00 31.98 C ATOM 937 CG PRO B 452 -4.223 22.635 31.740 1.00 33.36 C ATOM 938 CD PRO B 452 -4.430 23.413 30.473 1.00 29.14 C ATOM 939 N GLU B 453 -8.636 21.256 31.288 1.00 32.41 N ATOM 940 CA GLU B 453 -10.074 21.528 31.511 1.00 43.82 C ATOM 941 C GLU B 453 -10.364 22.112 32.898 1.00 46.96 C ATOM 942 O GLU B 453 -9.486 22.140 33.762 1.00 50.50 O ATOM 943 CB GLU B 453 -10.913 20.242 31.273 1.00 52.16 C ATOM 944 H GLU B 453 -8.300 20.272 31.290 1.00 0.00 H TER 945 GLU B 453 HETATM 946 ZN ZN A 1 -0.563 21.864 8.998 1.00 18.28 ZN HETATM 947 ZN ZN A 2 -2.204 24.183 12.278 1.00 17.98 ZN HETATM 948 ZN ZN A 3 -4.638 22.944 15.604 1.00 17.82 ZN HETATM 949 O HOH 4 4.546 23.956 0.115 1.00 23.76 O HETATM 950 O HOH 5 2.174 22.675 0.497 1.00 21.08 O HETATM 951 O HOH 6 6.828 15.966 10.521 1.00 24.11 O HETATM 952 O HOH 7 10.730 25.061 9.782 1.00 25.97 O HETATM 953 O HOH 8 9.405 26.896 3.111 1.00 28.29 O HETATM 954 O HOH 9 6.146 25.633 1.890 1.00 24.10 O HETATM 955 O HOH 10 -5.146 18.455 5.724 1.00 31.54 O HETATM 956 O HOH 11 14.599 21.923 -0.467 1.00 27.45 O HETATM 957 O HOH 12 -10.948 31.190 6.651 1.00 35.53 O HETATM 958 O HOH 13 6.621 26.684 -2.460 1.00 35.36 O HETATM 959 O HOH 14 10.414 9.984 19.447 1.00 39.51 O HETATM 960 O HOH 15 9.110 19.138 18.716 1.00 29.46 O HETATM 961 O HOH 16 16.481 21.811 3.039 1.00 45.23 O HETATM 962 O HOH 17 4.213 13.132 10.253 1.00 37.39 O HETATM 963 O HOH 18 12.139 18.966 18.912 1.00 34.55 O HETATM 964 O HOH 19 -4.665 20.174 0.477 1.00 36.51 O HETATM 965 O HOH 20 10.553 13.041 21.901 1.00 43.71 O HETATM 966 O HOH 21 0.000 32.430 8.265 1.00 27.30 O HETATM 967 O HOH 22 8.492 28.755 14.230 1.00 27.97 O HETATM 968 O HOH 23 7.250 27.197 0.081 1.00 33.32 O HETATM 969 O HOH 24 -0.877 14.668 2.789 1.00 42.76 O HETATM 970 O HOH 25 1.041 13.155 12.928 1.00 45.79 O HETATM 971 O HOH 26 10.865 29.241 2.188 1.00 38.63 O HETATM 972 O HOH 27 15.980 26.635 -1.816 1.00 43.22 O HETATM 973 O HOH 28 -2.578 19.331 -3.523 1.00 35.03 O HETATM 974 O HOH 29 1.479 30.725 13.332 1.00 31.87 O HETATM 975 O HOH 30 -0.133 29.944 -0.539 1.00 22.37 O HETATM 976 O HOH 31 -8.300 27.120 2.143 1.00 42.29 O HETATM 977 O HOH 32 -9.870 28.840 3.354 1.00 38.82 O HETATM 978 O HOH 33 1.564 17.685 -3.179 1.00 38.94 O HETATM 979 O HOH 34 10.365 22.379 -6.316 1.00 42.19 O HETATM 980 O HOH 35 -6.458 24.941 24.173 1.00 17.33 O HETATM 981 O HOH 36 -10.875 32.088 21.733 1.00 19.78 O HETATM 982 O HOH 37 -7.944 27.213 24.586 1.00 19.54 O HETATM 983 O HOH 38 -8.584 29.426 22.922 1.00 15.77 O HETATM 984 O HOH 39 -17.818 29.936 25.826 1.00 25.27 O HETATM 985 O HOH 40 -13.064 31.375 27.003 1.00 28.56 O HETATM 986 O HOH 41 -1.740 19.448 24.024 1.00 27.01 O HETATM 987 O HOH 42 -8.769 31.266 24.933 1.00 23.19 O HETATM 988 O HOH 43 -1.396 25.679 26.672 1.00 25.36 O HETATM 989 O HOH 44 -2.226 17.768 18.686 1.00 26.32 O HETATM 990 O HOH 45 -12.728 17.832 14.484 1.00 33.31 O HETATM 991 O HOH 46 -7.339 34.362 12.260 1.00 30.17 O HETATM 992 O HOH 47 -5.628 33.403 26.894 1.00 32.25 O HETATM 993 O HOH 48 -13.247 31.260 15.137 1.00 28.39 O HETATM 994 O HOH 49 -21.008 28.687 25.775 1.00 39.93 O HETATM 995 O HOH 50 -19.608 30.618 22.009 1.00 42.51 O HETATM 996 O HOH 51 -17.996 26.834 6.335 1.00 42.79 O HETATM 997 O HOH 52 -8.340 30.584 27.321 1.00 30.06 O HETATM 998 O HOH 53 -0.454 17.303 16.143 1.00 34.44 O HETATM 999 O HOH 54 -11.808 32.116 24.909 1.00 26.70 O HETATM 1000 O HOH 55 -0.874 31.456 19.310 1.00 24.47 O HETATM 1001 O HOH 56 -21.347 25.243 22.726 1.00 39.86 O HETATM 1002 O HOH 57 1.142 18.956 20.377 1.00 41.13 O HETATM 1003 O HOH 58 -10.774 31.320 28.817 1.00 32.45 O HETATM 1004 O HOH 59 -2.367 26.249 29.252 1.00 32.01 O HETATM 1005 O HOH 60 -2.208 31.615 11.654 1.00 40.42 O HETATM 1006 O HOH 61 -10.995 34.855 22.597 1.00 30.87 O HETATM 1007 O HOH 62 -4.002 19.791 28.374 1.00 39.36 O HETATM 1008 O HOH 63 -15.579 25.571 6.432 1.00 41.13 O HETATM 1009 O HOH 64 -9.133 33.316 10.457 1.00 26.42 O HETATM 1010 O HOH 65 -21.535 25.947 19.937 1.00 44.04 O HETATM 1011 O HOH 66 -8.105 20.114 27.951 1.00 31.43 O HETATM 1012 O HOH 67 -8.953 16.940 25.660 1.00 35.48 O HETATM 1013 O HOH 68 -15.451 19.965 11.320 1.00 39.02 O HETATM 1014 O HOH 69 -11.937 27.670 9.054 1.00 32.30 O HETATM 1015 O HOH 70 6.865 24.813 21.364 1.00 38.44 O HETATM 1016 O HOH 71 7.451 21.771 18.607 1.00 39.36 O HETATM 1017 O HOH 72 4.990 25.060 23.670 1.00 39.13 O HETATM 1018 O HOH 73 -3.264 37.827 24.258 1.00 28.85 O HETATM 1019 O HOH 74 -1.429 38.140 26.543 1.00 37.53 O HETATM 1020 O HOH 75 -24.764 27.430 28.469 1.00 48.66 O HETATM 1021 O HOH 76 -12.369 37.076 21.634 1.00 44.57 O HETATM 1022 O HOH 77 -9.794 40.629 16.671 1.00 39.55 O HETATM 1023 O HOH 78 -4.533 35.822 24.818 1.00 38.71 O HETATM 1024 O HOH 79 1.085 19.403 22.714 1.00 46.50 O HETATM 1025 O HOH 80 -0.767 25.596 31.588 1.00 48.92 O HETATM 1026 O HOH 81 13.696 14.038 8.701 1.00 21.06 O HETATM 1027 O HOH 82 10.060 13.419 13.922 1.00 36.39 O HETATM 1028 O HOH 83 8.771 10.497 4.114 1.00 39.88 O HETATM 1029 O HOH 84 2.453 7.264 4.653 1.00 48.89 O HETATM 1030 O HOH 85 12.417 10.902 -0.487 1.00 38.40 O HETATM 1031 O HOH 86 9.959 18.296 -6.742 1.00 46.57 O HETATM 1032 O HOH 87 7.162 10.124 1.777 1.00 38.33 O HETATM 1033 O HOH 88 -14.065 21.462 14.216 1.00 24.36 O HETATM 1034 O HOH 89 -15.460 24.365 32.087 1.00 34.03 O HETATM 1035 O HOH 90 -20.333 24.780 14.744 1.00 45.71 O HETATM 1036 O HOH 91 -21.416 22.440 21.723 1.00 37.40 O HETATM 1037 O HOH 92 -21.568 26.659 33.396 1.00 40.74 O HETATM 1038 N ALA A 93 11.307 15.539 12.649 1.00 0.24 N HETATM 1039 CA ALA A 93 10.196 15.709 11.645 1.00 0.06 C HETATM 1040 C ALA A 93 10.204 14.551 10.646 1.00 0.23 C HETATM 1041 O ALA A 93 11.166 13.765 10.606 1.00 -0.39 O HETATM 1042 N ALA A 93 9.122 14.449 9.861 1.00 -0.26 N HETATM 1043 CA ALA A 93 9.071 13.566 8.711 1.00 0.13 C HETATM 1044 C ALA A 93 9.320 14.332 7.417 1.00 0.20 C HETATM 1045 O ALA A 93 8.606 15.295 7.073 1.00 -0.39 O HETATM 1046 N ALA A 93 10.271 13.844 6.629 1.00 -0.26 N HETATM 1047 CA ALA A 93 10.657 14.538 5.418 1.00 0.16 C HETATM 1048 C ALA A 93 10.713 13.598 4.230 1.00 0.21 C HETATM 1049 O ALA A 93 10.827 12.380 4.399 1.00 -0.39 O HETATM 1050 N ALA A 93 10.619 14.190 3.045 1.00 -0.26 N HETATM 1051 CA ALA A 93 10.823 13.482 1.765 1.00 0.13 C HETATM 1052 CB ALA A 93 9.505 12.978 1.140 1.00 -0.01 C HETATM 1053 CG ALA A 93 8.617 14.104 0.639 1.00 -0.04 C HETATM 1054 CD ALA A 93 7.314 13.587 0.014 1.00 -0.01 C HETATM 1055 CE ALA A 93 6.513 14.793 -0.523 1.00 -0.03 C HETATM 1056 NZ ALA A 93 5.348 14.456 -1.381 1.00 0.24 N HETATM 1057 CM1 ALA A 93 5.820 13.988 -2.707 1.00 -0.04 C HETATM 1058 H38 ALA A 93 4.954 13.740 -3.338 1.00 0.08 H HETATM 1059 H39 ALA A 93 6.448 13.094 -2.578 1.00 0.08 H HETATM 1060 H40 ALA A 93 6.409 14.783 -3.188 1.00 0.08 H HETATM 1061 CM2 ALA A 93 4.529 15.665 -1.597 1.00 -0.04 C HETATM 1062 H41 ALA A 93 4.163 16.038 -0.629 1.00 0.08 H HETATM 1063 H42 ALA A 93 3.673 15.418 -2.242 1.00 0.08 H HETATM 1064 H43 ALA A 93 5.141 16.441 -2.081 1.00 0.08 H HETATM 1065 CM3 ALA A 93 4.501 13.435 -0.741 1.00 -0.04 C HETATM 1066 H44 ALA A 93 5.092 12.523 -0.570 1.00 0.08 H HETATM 1067 H45 ALA A 93 3.649 13.202 -1.396 1.00 0.08 H HETATM 1068 H46 ALA A 93 4.130 13.817 0.221 1.00 0.08 H HETATM 1069 H36 ALA A 93 7.198 15.419 -1.113 1.00 0.08 H HETATM 1070 H37 ALA A 93 6.144 15.366 0.340 1.00 0.08 H HETATM 1071 H34 ALA A 93 6.722 13.058 0.775 1.00 0.03 H HETATM 1072 H35 ALA A 93 7.547 12.899 -0.812 1.00 0.03 H HETATM 1073 H32 ALA A 93 9.169 14.679 -0.119 1.00 0.03 H HETATM 1074 H33 ALA A 93 8.367 14.760 1.486 1.00 0.03 H HETATM 1075 H30 ALA A 93 8.952 12.408 1.901 1.00 0.03 H HETATM 1076 H31 ALA A 93 9.748 12.320 0.293 1.00 0.03 H HETATM 1077 C ALA A 93 11.537 14.397 0.810 1.00 0.20 C HETATM 1078 O ALA A 93 11.632 15.624 1.021 1.00 -0.39 O HETATM 1079 N ALA A 93 12.059 13.794 -0.277 1.00 -0.26 N HETATM 1080 CA ALA A 93 12.755 14.510 -1.336 1.00 0.13 C HETATM 1081 C ALA A 93 12.121 14.169 -2.664 1.00 0.20 C HETATM 1082 O ALA A 93 11.695 13.031 -2.886 1.00 -0.39 O HETATM 1083 N ALA A 93 12.000 15.165 -3.515 1.00 -0.26 N HETATM 1084 CA ALA A 93 11.557 14.939 -4.887 1.00 0.16 C HETATM 1085 C ALA A 93 12.583 15.599 -5.796 1.00 0.21 C HETATM 1086 O ALA A 93 13.281 16.540 -5.409 1.00 -0.39 O HETATM 1087 N ALA A 93 12.699 15.108 -7.026 1.00 -0.26 N HETATM 1088 CA ALA A 93 13.683 15.692 -7.949 1.00 0.13 C HETATM 1089 C ALA A 93 13.195 17.040 -8.426 1.00 0.20 C HETATM 1090 O ALA A 93 11.995 17.231 -8.560 1.00 -0.39 O HETATM 1091 N ALA A 93 14.133 17.964 -8.659 1.00 -0.26 N HETATM 1092 CA ALA A 93 13.853 19.292 -9.271 1.00 0.13 C HETATM 1093 C ALA A 93 13.952 19.336 -10.819 1.00 0.20 C HETATM 1094 O ALA A 93 14.972 19.730 -11.377 1.00 -0.39 O HETATM 1095 N ALA A 93 12.875 18.969 -11.506 1.00 -0.30 N HETATM 1096 H80 ALA A 93 12.892 18.981 -12.506 1.00 0.18 H HETATM 1097 H81 ALA A 93 12.048 18.681 -11.023 1.00 0.18 H HETATM 1098 CB ALA A 93 14.790 20.361 -8.683 1.00 -0.01 C HETATM 1099 CG ALA A 93 14.178 21.099 -7.501 1.00 -0.02 C HETATM 1100 CD ALA A 93 15.222 21.729 -6.605 1.00 0.06 C HETATM 1101 NE ALA A 93 14.725 22.908 -5.905 1.00 -0.27 N HETATM 1102 CZ ALA A 93 15.084 23.241 -4.669 1.00 0.29 C HETATM 1103 NH1 ALA A 93 15.924 22.469 -3.990 1.00 -0.28 N HETATM 1104 H76 ALA A 93 16.202 22.728 -3.033 1.00 0.26 H HETATM 1105 H77 ALA A 93 16.298 21.611 -4.421 1.00 0.26 H HETATM 1106 NH2 ALA A 93 14.591 24.334 -4.102 1.00 -0.28 N HETATM 1107 H78 ALA A 93 13.939 24.936 -4.625 1.00 0.26 H HETATM 1108 H79 ALA A 93 14.860 24.581 -3.139 1.00 0.26 H HETATM 1109 H75 ALA A 93 14.057 23.518 -6.397 1.00 0.26 H HETATM 1110 H73 ALA A 93 16.084 22.023 -7.222 1.00 0.07 H HETATM 1111 H74 ALA A 93 15.541 20.986 -5.860 1.00 0.07 H HETATM 1112 H71 ALA A 93 13.588 20.385 -6.907 1.00 0.03 H HETATM 1113 H72 ALA A 93 13.518 21.891 -7.884 1.00 0.03 H HETATM 1114 H69 ALA A 93 15.025 21.093 -9.470 1.00 0.03 H HETATM 1115 H70 ALA A 93 15.716 19.871 -8.349 1.00 0.03 H HETATM 1116 H68 ALA A 93 12.820 19.557 -9.003 1.00 0.08 H HETATM 1117 H67 ALA A 93 15.077 17.751 -8.408 1.00 0.19 H HETATM 1118 CB ALA A 93 13.940 14.771 -9.133 1.00 -0.02 C HETATM 1119 H64 ALA A 93 14.678 15.234 -9.804 1.00 0.03 H HETATM 1120 H65 ALA A 93 13.000 14.606 -9.680 1.00 0.03 H HETATM 1121 H66 ALA A 93 14.327 13.807 -8.771 1.00 0.03 H HETATM 1122 H63 ALA A 93 14.630 15.832 -7.407 1.00 0.08 H HETATM 1123 H62 ALA A 93 12.121 14.347 -7.321 1.00 0.19 H HETATM 1124 CB ALA A 93 10.129 15.480 -5.164 1.00 0.09 C HETATM 1125 OG1 ALA A 93 10.063 16.873 -4.857 1.00 -0.39 O HETATM 1126 H58 ALA A 93 10.686 17.345 -5.397 1.00 0.21 H HETATM 1127 CG2 ALA A 93 9.069 14.750 -4.345 1.00 -0.03 C HETATM 1128 H59 ALA A 93 8.077 15.167 -4.574 1.00 0.03 H HETATM 1129 H60 ALA A 93 9.281 14.878 -3.273 1.00 0.03 H HETATM 1130 H61 ALA A 93 9.084 13.679 -4.597 1.00 0.03 H HETATM 1131 H57 ALA A 93 9.907 15.338 -6.232 1.00 0.06 H HETATM 1132 H56 ALA A 93 11.550 13.856 -5.081 1.00 0.08 H HETATM 1133 H55 ALA A 93 12.216 16.095 -3.216 1.00 0.19 H HETATM 1134 CB ALA A 93 14.221 14.083 -1.410 1.00 0.00 C HETATM 1135 CG ALA A 93 14.918 14.109 -0.075 1.00 0.04 C HETATM 1136 CD ALA A 93 15.300 15.515 0.326 1.00 0.17 C HETATM 1137 OE1 ALA A 93 15.744 16.310 -0.506 1.00 -0.40 O HETATM 1138 NE2 ALA A 93 15.141 15.831 1.604 1.00 -0.30 N HETATM 1139 H53 ALA A 93 15.378 16.748 1.926 1.00 0.18 H HETATM 1140 H54 ALA A 93 14.784 15.152 2.246 1.00 0.18 H HETATM 1141 H51 ALA A 93 15.829 13.495 -0.136 1.00 0.05 H HETATM 1142 H52 ALA A 93 14.244 13.691 0.688 1.00 0.05 H HETATM 1143 H49 ALA A 93 14.749 14.765 -2.093 1.00 0.03 H HETATM 1144 H50 ALA A 93 14.266 13.058 -1.808 1.00 0.03 H HETATM 1145 H48 ALA A 93 12.690 15.592 -1.151 1.00 0.08 H HETATM 1146 H47 ALA A 93 11.963 12.802 -0.360 1.00 0.19 H HETATM 1147 H29 ALA A 93 11.461 12.607 1.956 1.00 0.08 H HETATM 1148 H28 ALA A 93 10.399 15.165 3.018 1.00 0.19 H HETATM 1149 CB ALA A 93 12.023 15.258 5.516 1.00 0.09 C HETATM 1150 OG1 ALA A 93 13.070 14.312 5.857 1.00 -0.39 O HETATM 1151 H24 ALA A 93 12.871 13.909 6.694 1.00 0.21 H HETATM 1152 CG2 ALA A 93 11.996 16.338 6.549 1.00 -0.03 C HETATM 1153 H25 ALA A 93 12.980 16.828 6.593 1.00 0.03 H HETATM 1154 H26 ALA A 93 11.760 15.901 7.530 1.00 0.03 H HETATM 1155 H27 ALA A 93 11.228 17.080 6.284 1.00 0.03 H HETATM 1156 H23 ALA A 93 12.251 15.708 4.538 1.00 0.06 H HETATM 1157 H22 ALA A 93 9.888 15.299 5.221 1.00 0.08 H HETATM 1158 H21 ALA A 93 10.726 12.988 6.875 1.00 0.19 H HETATM 1159 CB ALA A 93 7.725 12.873 8.653 1.00 -0.01 C HETATM 1160 CG ALA A 93 7.656 11.804 7.602 1.00 -0.02 C HETATM 1161 CD ALA A 93 6.240 11.297 7.525 1.00 0.06 C HETATM 1162 NE ALA A 93 6.167 10.182 6.604 1.00 -0.27 N HETATM 1163 CZ ALA A 93 5.060 9.748 6.020 1.00 0.29 C HETATM 1164 NH1 ALA A 93 3.881 10.321 6.259 1.00 -0.28 N HETATM 1165 H17 ALA A 93 3.033 9.967 5.794 1.00 0.26 H HETATM 1166 H18 ALA A 93 3.818 11.118 6.909 1.00 0.26 H HETATM 1167 NH2 ALA A 93 5.137 8.716 5.186 1.00 -0.28 N HETATM 1168 H19 ALA A 93 6.047 8.271 5.000 1.00 0.26 H HETATM 1169 H20 ALA A 93 4.287 8.361 4.726 1.00 0.26 H HETATM 1170 H16 ALA A 93 7.044 9.688 6.386 1.00 0.26 H HETATM 1171 H14 ALA A 93 5.582 12.105 7.173 1.00 0.07 H HETATM 1172 H15 ALA A 93 5.915 10.968 8.523 1.00 0.07 H HETATM 1173 H12 ALA A 93 8.331 10.978 7.869 1.00 0.03 H HETATM 1174 H13 ALA A 93 7.954 12.221 6.629 1.00 0.03 H HETATM 1175 H10 ALA A 93 6.953 13.626 8.437 1.00 0.03 H HETATM 1176 H11 ALA A 93 7.526 12.414 9.633 1.00 0.03 H HETATM 1177 H9 ALA A 93 9.856 12.804 8.821 1.00 0.08 H HETATM 1178 H8 ALA A 93 8.318 15.004 10.077 1.00 0.19 H HETATM 1179 CB ALA A 93 10.356 17.018 10.920 1.00 -0.00 C HETATM 1180 H5 ALA A 93 9.542 17.134 10.190 1.00 0.03 H HETATM 1181 H6 ALA A 93 11.323 17.031 10.396 1.00 0.03 H HETATM 1182 H7 ALA A 93 10.320 17.845 11.644 1.00 0.03 H HETATM 1183 H4 ALA A 93 9.233 15.712 12.177 1.00 0.11 H HETATM 1184 H1 ALA A 93 11.291 16.308 13.301 1.00 0.20 H HETATM 1185 H2 ALA A 93 12.194 15.523 12.170 1.00 0.20 H HETATM 1186 H3 ALA A 93 11.179 14.672 13.148 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 81 80 946 CONECT 103 102 946 CONECT 299 298 946 CONECT 411 410 946 947 CONECT 476 477 482 483 484 CONECT 483 476 CONECT 484 476 CONECT 556 555 948 CONECT 578 577 948 CONECT 773 772 948 CONECT 885 884 947 948 CONECT 946 81 103 299 411 CONECT 947 411 885 CONECT 948 556 578 773 885 CONECT 1038 1039 1184 1185 1186 CONECT 1039 1038 1040 1179 1183 CONECT 1040 1039 1041 1042 CONECT 1041 1040 CONECT 1042 1040 1043 1178 CONECT 1043 1042 1044 1159 1177 CONECT 1044 1043 1045 1046 CONECT 1045 1044 CONECT 1046 1044 1047 1158 CONECT 1047 1046 1048 1149 1157 CONECT 1048 1047 1049 1050 CONECT 1049 1048 CONECT 1050 1048 1051 1148 CONECT 1051 1050 1052 1077 1147 CONECT 1052 1051 1053 1075 1076 CONECT 1053 1052 1054 1073 1074 CONECT 1054 1053 1055 1071 1072 CONECT 1055 1054 1056 1069 1070 CONECT 1056 1055 1057 1061 1065 CONECT 1057 1056 1058 1059 1060 CONECT 1058 1057 CONECT 1059 1057 CONECT 1060 1057 CONECT 1061 1056 1062 1063 1064 CONECT 1062 1061 CONECT 1063 1061 CONECT 1064 1061 CONECT 1065 1056 1066 1067 1068 CONECT 1066 1065 CONECT 1067 1065 CONECT 1068 1065 CONECT 1069 1055 CONECT 1070 1055 CONECT 1071 1054 CONECT 1072 1054 CONECT 1073 1053 CONECT 1074 1053 CONECT 1075 1052 CONECT 1076 1052 CONECT 1077 1051 1078 1079 CONECT 1078 1077 CONECT 1079 1077 1080 1146 CONECT 1080 1079 1081 1134 1145 CONECT 1081 1080 1082 1083 CONECT 1082 1081 CONECT 1083 1081 1084 1133 CONECT 1084 1083 1085 1124 1132 CONECT 1085 1084 1086 1087 CONECT 1086 1085 CONECT 1087 1085 1088 1123 CONECT 1088 1087 1089 1118 1122 CONECT 1089 1088 1090 1091 CONECT 1090 1089 CONECT 1091 1089 1092 1117 CONECT 1092 1091 1093 1098 1116 CONECT 1093 1092 1094 1095 CONECT 1094 1093 CONECT 1095 1093 1096 1097 CONECT 1096 1095 CONECT 1097 1095 CONECT 1098 1092 1099 1114 1115 CONECT 1099 1098 1100 1112 1113 CONECT 1100 1099 1101 1110 1111 CONECT 1101 1100 1102 1109 CONECT 1102 1101 1103 1106 CONECT 1103 1102 1104 1105 CONECT 1104 1103 CONECT 1105 1103 CONECT 1106 1102 1107 1108 CONECT 1107 1106 CONECT 1108 1106 CONECT 1109 1101 CONECT 1110 1100 CONECT 1111 1100 CONECT 1112 1099 CONECT 1113 1099 CONECT 1114 1098 CONECT 1115 1098 CONECT 1116 1092 CONECT 1117 1091 CONECT 1118 1088 1119 1120 1121 CONECT 1119 1118 CONECT 1120 1118 CONECT 1121 1118 CONECT 1122 1088 CONECT 1123 1087 CONECT 1124 1084 1125 1127 1131 CONECT 1125 1124 1126 CONECT 1126 1125 CONECT 1127 1124 1128 1129 1130 CONECT 1128 1127 CONECT 1129 1127 CONECT 1130 1127 CONECT 1131 1124 CONECT 1132 1084 CONECT 1133 1083 CONECT 1134 1080 1135 1143 1144 CONECT 1135 1134 1136 1141 1142 CONECT 1136 1135 1137 1138 CONECT 1137 1136 CONECT 1138 1136 1139 1140 CONECT 1139 1138 CONECT 1140 1138 CONECT 1141 1135 CONECT 1142 1135 CONECT 1143 1134 CONECT 1144 1134 CONECT 1145 1080 CONECT 1146 1079 CONECT 1147 1051 CONECT 1148 1050 CONECT 1149 1047 1150 1152 1156 CONECT 1150 1149 1151 CONECT 1151 1150 CONECT 1152 1149 1153 1154 1155 CONECT 1153 1152 CONECT 1154 1152 CONECT 1155 1152 CONECT 1156 1149 CONECT 1157 1047 CONECT 1158 1046 CONECT 1159 1043 1160 1175 1176 CONECT 1160 1159 1161 1173 1174 CONECT 1161 1160 1162 1171 1172 CONECT 1162 1161 1163 1170 CONECT 1163 1162 1164 1167 CONECT 1164 1163 1165 1166 CONECT 1165 1164 CONECT 1166 1164 CONECT 1167 1163 1168 1169 CONECT 1168 1167 CONECT 1169 1167 CONECT 1170 1162 CONECT 1171 1161 CONECT 1172 1161 CONECT 1173 1160 CONECT 1174 1160 CONECT 1175 1159 CONECT 1176 1159 CONECT 1177 1043 CONECT 1178 1042 CONECT 1179 1039 1180 1181 1182 CONECT 1180 1179 CONECT 1181 1179 CONECT 1182 1179 CONECT 1183 1039 CONECT 1184 1038 CONECT 1185 1038 CONECT 1186 1038 MASTER 0 0 0 0 0 0 0 0 1184 2 166 8 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4qq4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2b2v
RCSB PDB
PDBbind
16aa, >2B2V_3|Chain... at 93%
2b2w
RCSB PDB
PDBbind
20aa, >2B2W_3|Chain... at 95%
2co0
RCSB PDB
PDBbind
15aa, >2CO0_2|Chains... at 100%
2f6j
RCSB PDB
PDBbind
15aa, >2F6J_2|Chain... at 100%
2fsa
RCSB PDB
PDBbind
15aa, >2FSA_2|Chain... at 100%
2fuu
RCSB PDB
PDBbind
15aa, >2FUU_2|Chain... at 100%
2h2g
RCSB PDB
PDBbind
11aa, >2H2G_2|Chain... at 100%
2h9m
RCSB PDB
PDBbind
11aa, >2H9M_2|Chains... at 100%
2h9n
RCSB PDB
PDBbind
11aa, >2H9N_2|Chains... at 100%
2h9p
RCSB PDB
PDBbind
11aa, >2H9P_2|Chain... at 100%
2l3r
RCSB PDB
PDBbind
11aa, >2L3R_2|Chain... at 100%
2lbm
RCSB PDB
PDBbind
15aa, >2LBM_2|Chain... at 100%
2o9k
RCSB PDB
PDBbind
11aa, >2O9K_2|Chains... at 100%
2r0y
RCSB PDB
PDBbind
13aa, >2R0Y_2|Chain... at 100%
2rnw
RCSB PDB
PDBbind
15aa, >2RNW_2|Chain... at 100%
2rnx
RCSB PDB
PDBbind
13aa, >2RNX_2|Chain... at 92%
2uxn
RCSB PDB
PDBbind
21aa, >2UXN_3|Chain... at 95%
2v1d
RCSB PDB
PDBbind
21aa, >2V1D_3|Chain... at 95%
2ybp
RCSB PDB
PDBbind
12aa, >2YBP_2|Chains... at 91%
2ybs
RCSB PDB
PDBbind
12aa, >2YBS_2|Chains... at 91%
3ask
RCSB PDB
PDBbind
13aa, >3ASK_2|Chains... at 100%
3asl
RCSB PDB
PDBbind
11aa, >3ASL_2|Chain... at 100%
3b95
RCSB PDB
PDBbind
15aa, >3B95_2|Chain... at 100%
3ij0
RCSB PDB
PDBbind
11aa, >3IJ0_2|Chain... at 100%
3kv4
RCSB PDB
PDBbind
24aa, >3KV4_2|Chain... at 95%
3me9
RCSB PDB
PDBbind
11aa, >3ME9_2|Chains... at 100%
3mea
RCSB PDB
PDBbind
11aa, >3MEA_2|Chain... at 100%
3met
RCSB PDB
PDBbind
11aa, >3MET_2|Chains... at 100%
3meu
RCSB PDB
PDBbind
14aa, >3MEU_2|Chains... at 92%
3ql9
RCSB PDB
PDBbind
15aa, >3QL9_2|Chain... at 100%
3qlc
RCSB PDB
PDBbind
15aa, >3QLC_2|Chains... at 100%
3ued
RCSB PDB
PDBbind
12aa, >3UED_2|Chains... at 100%
3uef
RCSB PDB
PDBbind
12aa, >3UEF_2|Chains... at 100%
3uig
RCSB PDB
PDBbind
15aa, >3UIG_2|Chains... at 100%
4a7j
RCSB PDB
PDBbind
16aa, >4A7J_2|Chain... at 100%
4ft2
RCSB PDB
PDBbind
15aa, >4FT2_2|Chain... at 100%
4ft4
RCSB PDB
PDBbind
32aa, >4FT4_2|Chains... at 93%
4gy5
RCSB PDB
PDBbind
17aa, >4GY5_2|Chains... at 100%
4tmp
RCSB PDB
PDBbind
11aa, >4TMP_2|Chains... at 100%
4u7t
RCSB PDB
PDBbind
12aa, >4U7T_3|Chains... at 100%
4w5a
RCSB PDB
PDBbind
15aa, >4W5A_2|Chains... at 100%
4yhp
RCSB PDB
PDBbind
16aa, >4YHP_1|Chains... at 100%
4yhz
RCSB PDB
PDBbind
12aa, >4YHZ_3|Chain... at 100%
5fb0
RCSB PDB
PDBbind
15aa, >5FB0_2|Chains... at 100%
5fb1
RCSB PDB
PDBbind
15aa, >5FB1_2|Chain... at 100%
5ix1
RCSB PDB
PDBbind
15aa, >5IX1_2|Chains... at 100%
5svx
RCSB PDB
PDBbind
11aa, >5SVX_2|Chain... at 100%
5svy
RCSB PDB
PDBbind
11aa, >5SVY_2|Chain... at 100%
5x60
RCSB PDB
PDBbind
20aa, >5X60_3|Chain... at 90%
5znp
RCSB PDB
PDBbind
15aa, >5ZNP_2|Chains... at 100%
6bhi
RCSB PDB
PDBbind
16aa, >6BHI_2|Chain... at 100%
6mil
RCSB PDB
PDBbind
19aa, >6MIL_2|Chains... at 94%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bxl
RCSB PDB
PDBbind
16-mer
1dpu
RCSB PDB
PDBbind
16-mer
1dxp
RCSB PDB
PDBbind
16-mer
1g1e
RCSB PDB
PDBbind
16-mer
1j19
RCSB PDB
PDBbind
16-mer
1ok7
RCSB PDB
PDBbind
16-mer
1pmx
RCSB PDB
PDBbind
16-mer
1r17
RCSB PDB
PDBbind
16-mer
1s5q
RCSB PDB
PDBbind
16-mer
1sje
RCSB PDB
PDBbind
16-mer
1t2v
RCSB PDB
PDBbind
16-mer
1u8t
RCSB PDB
PDBbind
16-mer
1uti
RCSB PDB
PDBbind
16-mer
1vyj
RCSB PDB
PDBbind
16-mer
1y3a
RCSB PDB
PDBbind
16-mer
2b2v
RCSB PDB
PDBbind
16-mer
2flu
RCSB PDB
PDBbind
16-mer
2fx7
RCSB PDB
PDBbind
16-mer
2gph
RCSB PDB
PDBbind
16-mer
2ivz
RCSB PDB
PDBbind
16-mer
2k3w
RCSB PDB
PDBbind
16-mer
2koh
RCSB PDB
PDBbind
16-mer
2kvm
RCSB PDB
PDBbind
16-mer
2lcs
RCSB PDB
PDBbind
16-mer
2lsk
RCSB PDB
PDBbind
16-mer
2lsr
RCSB PDB
PDBbind
16-mer
2mg5
RCSB PDB
PDBbind
16-mer
2mpm
RCSB PDB
PDBbind
16-mer
2mps
RCSB PDB
PDBbind
16-mer
2n1g
RCSB PDB
PDBbind
16-mer
3eht
RCSB PDB
PDBbind
16-mer
3g5v
RCSB PDB
PDBbind
16-mer
3g5y
RCSB PDB
PDBbind
16-mer
3g7l
RCSB PDB
PDBbind
16-mer
3k48
RCSB PDB
PDBbind
16-mer
3nfl
RCSB PDB
PDBbind
16-mer
3oe0
RCSB PDB
PDBbind
16-mer
3tdu
RCSB PDB
PDBbind
16-mer
3twr
RCSB PDB
PDBbind
16-mer
3tws
RCSB PDB
PDBbind
16-mer
3twu
RCSB PDB
PDBbind
16-mer
3twv
RCSB PDB
PDBbind
16-mer
3tww
RCSB PDB
PDBbind
16-mer
3twx
RCSB PDB
PDBbind
16-mer
3v3b
RCSB PDB
PDBbind
16-mer
3zqi
RCSB PDB
PDBbind
16-mer
4a2a
RCSB PDB
PDBbind
16-mer
4a7j
RCSB PDB
PDBbind
16-mer
4edu
RCSB PDB
PDBbind
16-mer
4hs6
RCSB PDB
PDBbind
16-mer
4hs8
RCSB PDB
PDBbind
16-mer
4is6
RCSB PDB
PDBbind
16-mer
4j8r
RCSB PDB
PDBbind
16-mer
4l3o
RCSB PDB
PDBbind
16-mer
4nuf
RCSB PDB
PDBbind
16-mer
4odk
RCSB PDB
PDBbind
16-mer
4odl
RCSB PDB
PDBbind
16-mer
4odm
RCSB PDB
PDBbind
16-mer
4odp
RCSB PDB
PDBbind
16-mer
4odq
RCSB PDB
PDBbind
16-mer
4pz5
RCSB PDB
PDBbind
16-mer
4tzm
RCSB PDB
PDBbind
16-mer
4tzn
RCSB PDB
PDBbind
16-mer
4u2w
RCSB PDB
PDBbind
16-mer
4ud7
RCSB PDB
PDBbind
16-mer
4ue1
RCSB PDB
PDBbind
16-mer
4wci
RCSB PDB
PDBbind
16-mer
4wy7
RCSB PDB
PDBbind
16-mer
4yhp
RCSB PDB
PDBbind
16-mer
4zdu
RCSB PDB
PDBbind
16-mer
5eta
RCSB PDB
PDBbind
16-mer
5hhx
RCSB PDB
PDBbind
16-mer
5iay
RCSB PDB
PDBbind
16-mer
5icx
RCSB PDB
PDBbind
16-mer
5iy4
RCSB PDB
PDBbind
16-mer
5klr
RCSB PDB
PDBbind
16-mer
5klt
RCSB PDB
PDBbind
16-mer
5lvf
RCSB PDB
PDBbind
16-mer
5ly3
RCSB PDB
PDBbind
16-mer
5m9d
RCSB PDB
PDBbind
16-mer
5myk
RCSB PDB
PDBbind
16-mer
5myx
RCSB PDB
PDBbind
16-mer
5nin
RCSB PDB
PDBbind
16-mer
5njx
RCSB PDB
PDBbind
16-mer
5o4y
RCSB PDB
PDBbind
16-mer
5u2j
RCSB PDB
PDBbind
16-mer
5v1y
RCSB PDB
PDBbind
16-mer
5v6y
RCSB PDB
PDBbind
16-mer
5wa4
RCSB PDB
PDBbind
16-mer
5wbl
RCSB PDB
PDBbind
16-mer
5wqd
RCSB PDB
PDBbind
16-mer
5y7w
RCSB PDB
PDBbind
16-mer
6bhi
RCSB PDB
PDBbind
16-mer
6g84
RCSB PDB
PDBbind
16-mer
6g85
RCSB PDB
PDBbind
16-mer
6g86
RCSB PDB
PDBbind
16-mer
6h0b
RCSB PDB
PDBbind
16-mer
6qsz
RCSB PDB
PDBbind
16-mer
6pi7
RCSB PDB
PDBbind
16-mer
6me1
RCSB PDB
PDBbind
16-mer
6d08
RCSB PDB
PDBbind
16-mer
6d07
RCSB PDB
PDBbind
16-mer
5zml
RCSB PDB
PDBbind
16-mer
5w4e
RCSB PDB
PDBbind
16-mer
6tyz
RCSB PDB
PDBbind
16-mer
Entry Information
PDB ID
4qq4
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
MORC family CW-type zinc finger protein 3 (MORC3 CW)
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Kd=1.8uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Biol.Chem. Vol. 291: pp. 9000-9013
Ligand Properties
Formula
C
4
0
H
8
1
N
1
7
O
1
1
Molecular Weight
976.178
Exact Mass
975.630
No. of atoms
149
No. of bonds
148
Polar Surface Area
490
LOGP Value
-2.97 (
Computed with XLOGP3
)
-5.37 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 42
No. of Nitrogen and Oxygen Atoms: 28
No. of Rings: 0
Canonical SMILES
NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCC[NH+]=C(N)N)C)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C
InChI String
InChI=1S/C40H77N17O11/c1-20(41)32(62)52-26(14-11-18-49-40(46)47)35(65)56-30(23(4)59)38(68)54-25(12-8-9-19-57(5,6)7)34(64)53-27(15-16-28(42)60)36(66)55-29(22(3)58)37(67)50-21(2)33(63)51-24(31(43)61)13-10-17-48-39(44)45/h20-27,29-30,58-59H,8-19,41H2,1-7H3,(H18-,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,60,61,62,63,64,65,66,67,68)/p+4/t20-,21-,22+,23+,24-,25-,26-,27-,29-,30-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q14149
P84243
Entrez Gene ID
NCBI Entrez Gene ID:
23515
3020
3021
ASD
Information of known allosteric effects of PDB entries
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