Browse entries in the PDBbind-CN Database
HEADER 5EEQ_COMPLEX COMPND 5EEQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 103 HIS ARG THR GLN LEU TRP PHE HIS GLY ARG ILE SER ARG SEQRES 2 A 103 GLU GLU SER GLN ARG LEU ILE GLY GLN GLN GLY LEU VAL SEQRES 3 A 103 ASP GLY LEU PHE LEU VAL ARG GLU SER GLN ARG ASN PRO SEQRES 4 A 103 GLN GLY PHE VAL LEU SER LEU CYS HIS LEU GLN LYS VAL SEQRES 5 A 103 LYS HIS TYR LEU ILE LEU PRO SER GLU GLU GLU GLY ARG SEQRES 6 A 103 LEU TYR PHE SER MET ASP ASP GLY GLN THR ARG PHE THR SEQRES 7 A 103 ASP LEU LEU GLN LEU VAL GLU PHE HIS GLN LEU ASN ARG SEQRES 8 A 103 GLY ILE LEU PRO CYS LEU LEU ARG HIS CYS CYS THR HET SER A 196 173 ATOM 1 N HIS A 426 21.019 5.712 7.699 1.00 64.34 N ATOM 2 CA HIS A 426 19.992 4.777 7.250 1.00 60.99 C ATOM 3 C HIS A 426 20.527 3.348 7.221 1.00 62.24 C ATOM 4 O HIS A 426 20.020 2.473 7.923 1.00 58.84 O ATOM 5 CB HIS A 426 19.472 5.174 5.867 1.00 58.35 C ATOM 6 HN3 HIS A 426 21.830 5.672 7.049 1.00 0.00 H ATOM 7 HN2 HIS A 426 21.328 5.452 8.657 1.00 0.00 H ATOM 8 HN1 HIS A 426 20.628 6.676 7.709 1.00 0.00 H ATOM 9 N ARG A 427 21.552 3.120 6.405 1.00 67.20 N ATOM 10 CA ARG A 427 22.185 1.810 6.313 1.00 66.85 C ATOM 11 C ARG A 427 22.837 1.434 7.640 1.00 67.63 C ATOM 12 O ARG A 427 22.897 0.261 8.008 1.00 68.75 O ATOM 13 CB ARG A 427 23.224 1.793 5.190 1.00 69.11 C ATOM 14 H ARG A 427 21.912 3.898 5.816 1.00 0.00 H ATOM 15 N THR A 428 23.315 2.448 8.353 1.00 68.58 N ATOM 16 CA THR A 428 23.961 2.264 9.648 1.00 67.47 C ATOM 17 C THR A 428 22.993 1.766 10.719 1.00 63.45 C ATOM 18 O THR A 428 23.401 1.130 11.691 1.00 70.60 O ATOM 19 CB THR A 428 24.596 3.578 10.138 1.00 70.50 C ATOM 20 OG1 THR A 428 23.761 4.680 9.760 1.00 73.60 O ATOM 21 CG2 THR A 428 25.968 3.770 9.516 1.00 73.49 C ATOM 22 HG1 THR A 428 24.169 5.525 10.075 1.00 0.00 H ATOM 23 H THR A 428 23.225 3.412 7.973 1.00 0.00 H ATOM 24 N GLN A 429 21.710 2.057 10.537 1.00 54.37 N ATOM 25 CA GLN A 429 20.712 1.791 11.566 1.00 47.75 C ATOM 26 C GLN A 429 20.480 0.300 11.799 1.00 45.62 C ATOM 27 O GLN A 429 20.401 -0.489 10.858 1.00 44.96 O ATOM 28 CB GLN A 429 19.396 2.476 11.204 1.00 46.72 C ATOM 29 CG GLN A 429 19.543 3.963 10.915 1.00 48.64 C ATOM 30 CD GLN A 429 20.099 4.741 12.095 1.00 55.45 C ATOM 31 OE1 GLN A 429 19.862 4.395 13.253 1.00 51.54 O ATOM 32 NE2 GLN A 429 20.847 5.799 11.803 1.00 61.37 N ATOM 33 HE22 GLN A 429 21.021 6.055 10.810 1.00 0.00 H ATOM 34 HE21 GLN A 429 21.259 6.372 12.567 1.00 0.00 H ATOM 35 H GLN A 429 21.410 2.485 9.638 1.00 0.00 H ATOM 36 N LEU A 430 20.367 -0.069 13.071 1.00 46.68 N ATOM 37 CA LEU A 430 20.194 -1.461 13.478 1.00 45.20 C ATOM 38 C LEU A 430 18.900 -2.085 12.989 1.00 40.68 C ATOM 39 O LEU A 430 18.814 -3.300 12.806 1.00 44.81 O ATOM 40 CB LEU A 430 20.244 -1.564 14.995 1.00 53.52 C ATOM 41 CG LEU A 430 21.627 -1.795 15.576 1.00 60.68 C ATOM 42 CD1 LEU A 430 21.718 -1.103 16.919 1.00 63.61 C ATOM 43 CD2 LEU A 430 21.866 -3.291 15.687 1.00 63.49 C ATOM 44 H LEU A 430 20.403 0.664 13.807 1.00 0.00 H ATOM 45 N TRP A 431 17.890 -1.252 12.787 1.00 36.22 N ATOM 46 CA TRP A 431 16.588 -1.760 12.397 1.00 33.63 C ATOM 47 C TRP A 431 16.453 -1.905 10.881 1.00 35.19 C ATOM 48 O TRP A 431 15.423 -2.366 10.392 1.00 32.82 O ATOM 49 CB TRP A 431 15.480 -0.859 12.951 1.00 31.83 C ATOM 50 CG TRP A 431 15.759 0.616 12.849 1.00 36.46 C ATOM 51 CD1 TRP A 431 16.129 1.451 13.865 1.00 35.59 C ATOM 52 CD2 TRP A 431 15.688 1.426 11.671 1.00 33.09 C ATOM 53 NE1 TRP A 431 16.293 2.731 13.393 1.00 34.98 N ATOM 54 CE2 TRP A 431 16.025 2.744 12.045 1.00 37.00 C ATOM 55 CE3 TRP A 431 15.369 1.170 10.332 1.00 31.02 C ATOM 56 CZ2 TRP A 431 16.061 3.796 11.135 1.00 38.56 C ATOM 57 CZ3 TRP A 431 15.403 2.215 9.429 1.00 33.39 C ATOM 58 CH2 TRP A 431 15.747 3.512 9.833 1.00 33.03 C ATOM 59 HE1 TRP A 431 16.574 3.555 13.962 1.00 0.00 H ATOM 60 H TRP A 431 18.031 -0.229 12.909 1.00 0.00 H ATOM 61 N PHE A 432 17.490 -1.525 10.137 1.00 36.27 N ATOM 62 CA PHE A 432 17.432 -1.605 8.674 1.00 34.70 C ATOM 63 C PHE A 432 18.110 -2.860 8.136 1.00 36.65 C ATOM 64 O PHE A 432 19.299 -3.092 8.375 1.00 39.95 O ATOM 65 CB PHE A 432 18.064 -0.368 8.031 1.00 36.69 C ATOM 66 CG PHE A 432 17.931 -0.336 6.531 1.00 34.56 C ATOM 67 CD1 PHE A 432 16.722 -0.002 5.940 1.00 36.39 C ATOM 68 CD2 PHE A 432 19.008 -0.644 5.716 1.00 38.41 C ATOM 69 CE1 PHE A 432 16.587 0.025 4.564 1.00 37.12 C ATOM 70 CE2 PHE A 432 18.884 -0.616 4.335 1.00 39.87 C ATOM 71 CZ PHE A 432 17.671 -0.282 3.757 1.00 35.75 C ATOM 72 H PHE A 432 18.351 -1.168 10.599 1.00 0.00 H ATOM 73 N HIS A 433 17.356 -3.654 7.381 1.00 35.19 N ATOM 74 CA HIS A 433 17.831 -4.962 6.932 1.00 33.71 C ATOM 75 C HIS A 433 18.092 -5.056 5.436 1.00 37.92 C ATOM 76 O HIS A 433 18.398 -6.135 4.932 1.00 40.14 O ATOM 77 CB HIS A 433 16.826 -6.043 7.331 1.00 36.46 C ATOM 78 CG HIS A 433 16.778 -6.306 8.802 1.00 38.25 C ATOM 79 ND1 HIS A 433 16.954 -7.563 9.338 1.00 42.60 N ATOM 80 CD2 HIS A 433 16.584 -5.473 9.851 1.00 37.09 C ATOM 81 CE1 HIS A 433 16.864 -7.494 10.655 1.00 42.21 C ATOM 82 NE2 HIS A 433 16.639 -6.237 10.992 1.00 40.98 N ATOM 83 H HIS A 433 16.405 -3.337 7.103 1.00 0.00 H ATOM 84 N GLY A 434 17.970 -3.937 4.729 1.00 36.46 N ATOM 85 CA GLY A 434 18.251 -3.911 3.303 1.00 36.98 C ATOM 86 C GLY A 434 17.353 -4.808 2.469 1.00 36.71 C ATOM 87 O GLY A 434 16.154 -4.915 2.722 1.00 36.46 O ATOM 88 H GLY A 434 17.668 -3.063 5.205 1.00 0.00 H ATOM 89 N ARG A 435 17.938 -5.457 1.468 1.00 39.48 N ATOM 90 CA ARG A 435 17.180 -6.308 0.558 1.00 35.52 C ATOM 91 C ARG A 435 16.860 -7.668 1.176 1.00 39.61 C ATOM 92 O ARG A 435 17.629 -8.616 1.032 1.00 42.75 O ATOM 93 CB ARG A 435 17.948 -6.502 -0.756 1.00 39.84 C ATOM 94 H ARG A 435 18.964 -5.355 1.330 1.00 0.00 H ATOM 95 N ILE A 436 15.731 -7.755 1.875 1.00 41.27 N ATOM 96 CA ILE A 436 15.202 -9.044 2.316 1.00 40.51 C ATOM 97 C ILE A 436 13.716 -9.146 1.979 1.00 36.63 C ATOM 98 O ILE A 436 13.021 -8.135 1.856 1.00 37.91 O ATOM 99 CB ILE A 436 15.401 -9.288 3.835 1.00 36.03 C ATOM 100 CG1 ILE A 436 14.637 -8.253 4.668 1.00 31.15 C ATOM 101 CG2 ILE A 436 16.887 -9.311 4.191 1.00 38.02 C ATOM 102 CD1 ILE A 436 14.503 -8.635 6.130 1.00 35.37 C ATOM 103 H ILE A 436 15.213 -6.885 2.113 1.00 0.00 H ATOM 104 N SER A 437 13.231 -10.373 1.830 1.00 34.56 N ATOM 105 CA SER A 437 11.853 -10.591 1.412 1.00 34.16 C ATOM 106 C SER A 437 10.869 -10.459 2.564 1.00 35.77 C ATOM 107 O SER A 437 11.255 -10.376 3.737 1.00 35.47 O ATOM 108 CB SER A 437 11.700 -11.970 0.771 1.00 35.29 C ATOM 109 OG SER A 437 11.810 -12.993 1.743 1.00 37.71 O ATOM 110 HG SER A 437 11.708 -13.875 1.305 1.00 0.00 H ATOM 111 H SER A 437 13.845 -11.192 2.015 1.00 0.00 H ATOM 112 N ARG A 438 9.588 -10.438 2.216 1.00 31.20 N ATOM 113 CA ARG A 438 8.528 -10.392 3.207 1.00 32.07 C ATOM 114 C ARG A 438 8.566 -11.652 4.065 1.00 32.94 C ATOM 115 O ARG A 438 8.498 -11.582 5.293 1.00 31.12 O ATOM 116 CB ARG A 438 7.167 -10.247 2.527 1.00 34.44 C ATOM 117 CG ARG A 438 5.997 -10.214 3.492 1.00 29.72 C ATOM 118 CD ARG A 438 4.688 -9.975 2.763 1.00 30.63 C ATOM 119 NE ARG A 438 4.621 -8.620 2.234 1.00 25.86 N ATOM 120 CZ ARG A 438 3.510 -7.892 2.172 1.00 27.92 C ATOM 121 NH1 ARG A 438 2.355 -8.393 2.599 1.00 29.33 N ATOM 122 NH2 ARG A 438 3.556 -6.665 1.661 1.00 27.04 N ATOM 123 HE ARG A 438 5.501 -8.193 1.881 1.00 0.00 H ATOM 124 HH12 ARG A 438 1.489 -7.819 2.548 1.00 0.00 H ATOM 125 HH11 ARG A 438 2.318 -9.358 2.984 1.00 0.00 H ATOM 126 HH22 ARG A 438 2.691 -6.090 1.610 1.00 0.00 H ATOM 127 HH21 ARG A 438 4.457 -6.280 1.313 1.00 0.00 H ATOM 128 H ARG A 438 9.337 -10.455 1.207 1.00 0.00 H ATOM 129 N GLU A 439 8.684 -12.807 3.422 1.00 33.51 N ATOM 130 CA GLU A 439 8.742 -14.061 4.168 1.00 34.72 C ATOM 131 C GLU A 439 9.936 -14.073 5.118 1.00 39.30 C ATOM 132 O GLU A 439 9.822 -14.540 6.255 1.00 38.87 O ATOM 133 CB GLU A 439 8.801 -15.259 3.219 1.00 48.02 C ATOM 134 CG GLU A 439 9.512 -16.477 3.789 1.00 68.31 C ATOM 135 CD GLU A 439 8.571 -17.418 4.514 1.00 82.62 C ATOM 136 OE1 GLU A 439 7.350 -17.139 4.544 1.00 85.55 O ATOM 137 OE2 GLU A 439 9.051 -18.433 5.069 1.00 87.50 O ATOM 138 H GLU A 439 8.735 -12.819 2.383 1.00 0.00 H ATOM 139 N GLU A 440 11.072 -13.550 4.662 1.00 34.95 N ATOM 140 CA GLU A 440 12.267 -13.507 5.501 1.00 39.21 C ATOM 141 C GLU A 440 12.064 -12.598 6.713 1.00 36.31 C ATOM 142 O GLU A 440 12.465 -12.946 7.830 1.00 34.25 O ATOM 143 CB GLU A 440 13.484 -13.050 4.692 1.00 43.37 C ATOM 144 CG GLU A 440 14.772 -12.863 5.505 1.00 48.65 C ATOM 145 CD GLU A 440 15.300 -14.149 6.142 1.00 51.66 C ATOM 146 OE1 GLU A 440 14.834 -15.252 5.783 1.00 51.34 O ATOM 147 OE2 GLU A 440 16.199 -14.052 7.004 1.00 56.23 O ATOM 148 H GLU A 440 11.109 -13.167 3.696 1.00 0.00 H ATOM 149 N SER A 441 11.436 -11.444 6.504 1.00 30.85 N ATOM 150 CA SER A 441 11.148 -10.539 7.618 1.00 29.16 C ATOM 151 C SER A 441 10.269 -11.228 8.655 1.00 33.45 C ATOM 152 O SER A 441 10.451 -11.051 9.862 1.00 29.37 O ATOM 153 CB SER A 441 10.473 -9.250 7.127 1.00 32.83 C ATOM 154 OG SER A 441 9.117 -9.463 6.759 1.00 28.72 O ATOM 155 HG SER A 441 9.075 -10.131 6.029 1.00 0.00 H ATOM 156 H SER A 441 11.147 -11.182 5.540 1.00 0.00 H ATOM 157 N GLN A 442 9.321 -12.031 8.189 1.00 31.25 N ATOM 158 CA GLN A 442 8.439 -12.734 9.113 1.00 33.97 C ATOM 159 C GLN A 442 9.192 -13.821 9.856 1.00 37.95 C ATOM 160 O GLN A 442 8.917 -14.081 11.025 1.00 32.75 O ATOM 161 CB GLN A 442 7.233 -13.312 8.376 1.00 37.33 C ATOM 162 CG GLN A 442 6.332 -12.217 7.824 1.00 39.13 C ATOM 163 CD GLN A 442 5.063 -12.741 7.192 1.00 44.43 C ATOM 164 OE1 GLN A 442 4.846 -13.950 7.110 1.00 50.09 O ATOM 165 NE2 GLN A 442 4.206 -11.826 6.748 1.00 33.83 N ATOM 166 HE22 GLN A 442 4.432 -10.815 6.839 1.00 0.00 H ATOM 167 HE21 GLN A 442 3.310 -12.122 6.310 1.00 0.00 H ATOM 168 H GLN A 442 9.207 -12.159 7.163 1.00 0.00 H ATOM 169 N ARG A 443 10.158 -14.445 9.191 1.00 30.79 N ATOM 170 CA ARG A 443 10.975 -15.453 9.854 1.00 33.86 C ATOM 171 C ARG A 443 11.863 -14.815 10.932 1.00 42.68 C ATOM 172 O ARG A 443 12.011 -15.360 12.024 1.00 42.42 O ATOM 173 CB ARG A 443 11.821 -16.210 8.831 1.00 36.80 C ATOM 174 CG ARG A 443 12.180 -17.622 9.245 1.00 46.85 C ATOM 175 CD ARG A 443 13.106 -18.248 8.219 1.00 55.32 C ATOM 176 NE ARG A 443 14.242 -17.373 7.948 1.00 59.04 N ATOM 177 CZ ARG A 443 15.369 -17.377 8.651 1.00 64.11 C ATOM 178 NH1 ARG A 443 15.516 -18.217 9.668 1.00 70.70 N ATOM 179 NH2 ARG A 443 16.349 -16.541 8.339 1.00 63.87 N ATOM 180 HE ARG A 443 14.164 -16.705 7.155 1.00 0.00 H ATOM 181 HH12 ARG A 443 16.399 -18.219 10.217 1.00 0.00 H ATOM 182 HH11 ARG A 443 14.748 -18.873 9.915 1.00 0.00 H ATOM 183 HH22 ARG A 443 17.231 -16.545 8.890 1.00 0.00 H ATOM 184 HH21 ARG A 443 16.236 -15.881 7.543 1.00 0.00 H ATOM 185 H ARG A 443 10.332 -14.213 8.192 1.00 0.00 H ATOM 186 N LEU A 444 12.432 -13.649 10.631 1.00 37.20 N ATOM 187 CA LEU A 444 13.324 -12.962 11.567 1.00 34.36 C ATOM 188 C LEU A 444 12.568 -12.478 12.802 1.00 36.30 C ATOM 189 O LEU A 444 13.031 -12.640 13.935 1.00 39.09 O ATOM 190 CB LEU A 444 14.014 -11.779 10.881 1.00 36.66 C ATOM 191 CG LEU A 444 15.059 -12.097 9.809 1.00 42.56 C ATOM 192 CD1 LEU A 444 15.348 -10.857 8.980 1.00 45.14 C ATOM 193 CD2 LEU A 444 16.342 -12.640 10.422 1.00 44.58 C ATOM 194 H LEU A 444 12.237 -13.215 9.706 1.00 0.00 H ATOM 195 N ILE A 445 11.405 -11.880 12.571 1.00 33.89 N ATOM 196 CA ILE A 445 10.540 -11.422 13.653 1.00 30.49 C ATOM 197 C ILE A 445 10.057 -12.629 14.468 1.00 35.73 C ATOM 198 O ILE A 445 9.950 -12.570 15.696 1.00 33.65 O ATOM 199 CB ILE A 445 9.352 -10.606 13.094 1.00 28.90 C ATOM 200 CG1 ILE A 445 9.860 -9.271 12.548 1.00 29.62 C ATOM 201 CG2 ILE A 445 8.311 -10.354 14.174 1.00 31.86 C ATOM 202 CD1 ILE A 445 8.834 -8.482 11.747 1.00 34.00 C ATOM 203 H ILE A 445 11.101 -11.733 11.587 1.00 0.00 H ATOM 204 N GLY A 446 9.801 -13.736 13.780 1.00 32.85 N ATOM 205 CA GLY A 446 9.478 -14.985 14.448 1.00 36.56 C ATOM 206 C GLY A 446 10.583 -15.477 15.368 1.00 39.07 C ATOM 207 O GLY A 446 10.300 -15.988 16.457 1.00 43.93 O ATOM 208 H GLY A 446 9.832 -13.708 12.741 1.00 0.00 H ATOM 209 N GLN A 447 11.837 -15.337 14.935 1.00 41.34 N ATOM 210 CA GLN A 447 12.994 -15.720 15.756 1.00 44.43 C ATOM 211 C GLN A 447 12.999 -15.034 17.108 1.00 46.17 C ATOM 212 O GLN A 447 13.275 -15.654 18.134 1.00 44.80 O ATOM 213 CB GLN A 447 14.317 -15.370 15.074 1.00 52.07 C ATOM 214 CG GLN A 447 14.689 -16.181 13.877 1.00 70.11 C ATOM 215 CD GLN A 447 15.955 -15.672 13.214 1.00 81.23 C ATOM 216 OE1 GLN A 447 16.778 -15.006 13.847 1.00 87.26 O ATOM 217 NE2 GLN A 447 16.121 -15.987 11.936 1.00 80.72 N ATOM 218 HE22 GLN A 447 15.400 -16.551 11.442 1.00 0.00 H ATOM 219 HE21 GLN A 447 16.972 -15.670 11.429 1.00 0.00 H ATOM 220 H GLN A 447 12.001 -14.944 13.986 1.00 0.00 H ATOM 221 N GLN A 448 12.727 -13.734 17.082 1.00 48.59 N ATOM 222 CA GLN A 448 12.866 -12.889 18.259 1.00 51.01 C ATOM 223 C GLN A 448 11.555 -12.772 19.028 1.00 47.62 C ATOM 224 O GLN A 448 11.320 -11.794 19.739 1.00 50.90 O ATOM 225 CB GLN A 448 13.395 -11.510 17.850 1.00 50.21 C ATOM 226 CG GLN A 448 14.676 -11.596 17.027 1.00 55.25 C ATOM 227 CD GLN A 448 15.312 -10.245 16.747 1.00 61.98 C ATOM 228 OE1 GLN A 448 14.980 -9.242 17.378 1.00 65.61 O ATOM 229 NE2 GLN A 448 16.237 -10.217 15.795 1.00 65.03 N ATOM 230 HE22 GLN A 448 16.487 -11.089 15.287 1.00 0.00 H ATOM 231 HE21 GLN A 448 16.712 -9.323 15.558 1.00 0.00 H ATOM 232 H GLN A 448 12.404 -13.306 16.191 1.00 0.00 H ATOM 233 N GLY A 449 10.702 -13.779 18.870 1.00 44.35 N ATOM 234 CA GLY A 449 9.613 -14.014 19.803 1.00 46.09 C ATOM 235 C GLY A 449 8.269 -13.349 19.573 1.00 38.80 C ATOM 236 O GLY A 449 7.423 -13.381 20.468 1.00 42.88 O ATOM 237 H GLY A 449 10.817 -14.416 18.056 1.00 0.00 H ATOM 238 N LEU A 450 8.061 -12.764 18.398 1.00 36.85 N ATOM 239 CA LEU A 450 6.792 -12.107 18.079 1.00 35.12 C ATOM 240 C LEU A 450 6.365 -11.153 19.192 1.00 34.67 C ATOM 241 O LEU A 450 5.220 -11.184 19.648 1.00 35.00 O ATOM 242 CB LEU A 450 5.693 -13.146 17.831 1.00 37.42 C ATOM 243 CG LEU A 450 5.849 -14.063 16.616 1.00 37.43 C ATOM 244 CD1 LEU A 450 4.794 -15.158 16.643 1.00 44.24 C ATOM 245 CD2 LEU A 450 5.756 -13.259 15.337 1.00 37.13 C ATOM 246 H LEU A 450 8.819 -12.773 17.686 1.00 0.00 H ATOM 247 N VAL A 451 7.306 -10.333 19.642 1.00 34.13 N ATOM 248 CA VAL A 451 7.046 -9.348 20.682 1.00 32.80 C ATOM 249 C VAL A 451 6.269 -8.163 20.104 1.00 30.51 C ATOM 250 O VAL A 451 6.520 -7.729 18.981 1.00 27.45 O ATOM 251 CB VAL A 451 8.363 -8.865 21.321 1.00 34.19 C ATOM 252 CG1 VAL A 451 8.100 -7.799 22.374 1.00 38.09 C ATOM 253 CG2 VAL A 451 9.116 -10.044 21.932 1.00 35.98 C ATOM 254 H VAL A 451 8.262 -10.396 19.238 1.00 0.00 H ATOM 255 N ASP A 452 5.317 -7.643 20.874 1.00 30.99 N ATOM 256 CA ASP A 452 4.505 -6.527 20.418 1.00 25.94 C ATOM 257 C ASP A 452 5.376 -5.299 20.154 1.00 27.10 C ATOM 258 O ASP A 452 6.138 -4.870 21.024 1.00 27.22 O ATOM 259 CB ASP A 452 3.420 -6.210 21.450 1.00 30.24 C ATOM 260 CG ASP A 452 2.261 -5.435 20.857 1.00 28.33 C ATOM 261 OD1 ASP A 452 1.910 -5.691 19.691 1.00 28.15 O ATOM 262 OD2 ASP A 452 1.690 -4.576 21.558 1.00 27.41 O ATOM 263 H ASP A 452 5.151 -8.042 21.820 1.00 0.00 H ATOM 264 N GLY A 453 5.278 -4.747 18.946 1.00 25.68 N ATOM 265 CA GLY A 453 6.054 -3.575 18.588 1.00 23.17 C ATOM 266 C GLY A 453 7.446 -3.878 18.071 1.00 26.94 C ATOM 267 O GLY A 453 8.230 -2.962 17.823 1.00 26.13 O ATOM 268 H GLY A 453 4.632 -5.164 18.246 1.00 0.00 H ATOM 269 N LEU A 454 7.760 -5.164 17.917 1.00 23.26 N ATOM 270 CA LEU A 454 9.004 -5.582 17.286 1.00 23.78 C ATOM 271 C LEU A 454 8.943 -5.228 15.802 1.00 22.87 C ATOM 272 O LEU A 454 7.924 -5.467 15.149 1.00 25.28 O ATOM 273 CB LEU A 454 9.220 -7.082 17.481 1.00 28.92 C ATOM 274 CG LEU A 454 10.488 -7.739 16.936 1.00 36.18 C ATOM 275 CD1 LEU A 454 11.721 -7.060 17.504 1.00 39.87 C ATOM 276 CD2 LEU A 454 10.477 -9.218 17.288 1.00 33.01 C ATOM 277 H LEU A 454 7.098 -5.890 18.257 1.00 0.00 H ATOM 278 N PHE A 455 10.011 -4.644 15.269 1.00 22.79 N ATOM 279 CA PHE A 455 9.953 -4.137 13.894 1.00 20.13 C ATOM 280 C PHE A 455 11.290 -4.139 13.162 1.00 24.16 C ATOM 281 O PHE A 455 12.354 -4.194 13.765 1.00 25.26 O ATOM 282 CB PHE A 455 9.406 -2.705 13.883 1.00 23.86 C ATOM 283 CG PHE A 455 10.425 -1.672 14.290 1.00 24.09 C ATOM 284 CD1 PHE A 455 10.707 -1.446 15.627 1.00 24.97 C ATOM 285 CD2 PHE A 455 11.115 -0.940 13.329 1.00 28.77 C ATOM 286 CE1 PHE A 455 11.655 -0.515 15.999 1.00 25.90 C ATOM 287 CE2 PHE A 455 12.058 -0.001 13.697 1.00 26.59 C ATOM 288 CZ PHE A 455 12.327 0.213 15.034 1.00 28.83 C ATOM 289 H PHE A 455 10.885 -4.547 15.825 1.00 0.00 H ATOM 290 N LEU A 456 11.215 -4.040 11.840 1.00 24.27 N ATOM 291 CA LEU A 456 12.389 -3.779 11.023 1.00 24.21 C ATOM 292 C LEU A 456 11.948 -2.993 9.800 1.00 24.38 C ATOM 293 O LEU A 456 10.756 -2.924 9.495 1.00 23.83 O ATOM 294 CB LEU A 456 13.100 -5.081 10.620 1.00 27.25 C ATOM 295 CG LEU A 456 12.351 -6.185 9.857 1.00 30.61 C ATOM 296 CD1 LEU A 456 12.238 -5.899 8.357 1.00 29.09 C ATOM 297 CD2 LEU A 456 13.035 -7.524 10.083 1.00 29.20 C ATOM 298 H LEU A 456 10.291 -4.152 11.376 1.00 0.00 H ATOM 299 N VAL A 457 12.909 -2.393 9.112 1.00 24.94 N ATOM 300 CA VAL A 457 12.637 -1.782 7.820 1.00 25.88 C ATOM 301 C VAL A 457 13.495 -2.484 6.770 1.00 28.87 C ATOM 302 O VAL A 457 14.658 -2.821 7.009 1.00 28.54 O ATOM 303 CB VAL A 457 12.909 -0.262 7.820 1.00 23.30 C ATOM 304 CG1 VAL A 457 12.624 0.335 6.439 1.00 22.26 C ATOM 305 CG2 VAL A 457 12.056 0.426 8.865 1.00 24.18 C ATOM 306 H VAL A 457 13.873 -2.358 9.502 1.00 0.00 H ATOM 307 N ARG A 458 12.907 -2.723 5.607 1.00 23.98 N ATOM 308 CA ARG A 458 13.595 -3.420 4.532 1.00 27.41 C ATOM 309 C ARG A 458 13.219 -2.796 3.204 1.00 27.62 C ATOM 310 O ARG A 458 12.274 -2.006 3.125 1.00 26.99 O ATOM 311 CB ARG A 458 13.226 -4.903 4.532 1.00 27.34 C ATOM 312 CG ARG A 458 11.726 -5.113 4.398 1.00 29.77 C ATOM 313 CD ARG A 458 11.322 -6.575 4.561 1.00 31.07 C ATOM 314 NE ARG A 458 9.869 -6.706 4.507 1.00 27.37 N ATOM 315 CZ ARG A 458 9.183 -6.826 3.376 1.00 28.38 C ATOM 316 NH1 ARG A 458 9.826 -6.848 2.215 1.00 28.08 N ATOM 317 NH2 ARG A 458 7.860 -6.926 3.406 1.00 24.47 N ATOM 318 HE ARG A 458 9.342 -6.705 5.404 1.00 0.00 H ATOM 319 HH12 ARG A 458 9.293 -6.942 1.327 1.00 0.00 H ATOM 320 HH11 ARG A 458 10.863 -6.771 2.193 1.00 0.00 H ATOM 321 HH22 ARG A 458 7.325 -7.020 2.519 1.00 0.00 H ATOM 322 HH21 ARG A 458 7.358 -6.911 4.317 1.00 0.00 H ATOM 323 H ARG A 458 11.928 -2.404 5.459 1.00 0.00 H ATOM 324 N GLU A 459 13.952 -3.151 2.157 1.00 28.07 N ATOM 325 CA GLU A 459 13.549 -2.755 0.820 1.00 28.74 C ATOM 326 C GLU A 459 12.329 -3.576 0.416 1.00 33.84 C ATOM 327 O GLU A 459 12.208 -4.747 0.782 1.00 32.23 O ATOM 328 CB GLU A 459 14.694 -2.941 -0.176 1.00 33.26 C ATOM 329 CG GLU A 459 15.891 -2.050 0.117 1.00 39.05 C ATOM 330 CD GLU A 459 17.080 -2.353 -0.762 1.00 53.80 C ATOM 331 OE1 GLU A 459 16.903 -3.036 -1.792 1.00 51.65 O ATOM 332 OE2 GLU A 459 18.196 -1.909 -0.418 1.00 65.96 O ATOM 333 H GLU A 459 14.816 -3.713 2.294 1.00 0.00 H ATOM 334 N SER A 460 11.412 -2.946 -0.306 1.00 29.13 N ATOM 335 CA SER A 460 10.245 -3.637 -0.851 1.00 28.69 C ATOM 336 C SER A 460 10.628 -4.453 -2.076 1.00 33.80 C ATOM 337 O SER A 460 11.334 -3.961 -2.951 1.00 33.28 O ATOM 338 CB SER A 460 9.145 -2.631 -1.210 1.00 26.79 C ATOM 339 OG SER A 460 8.103 -3.247 -1.953 1.00 28.15 O ATOM 340 HG SER A 460 7.410 -2.573 -2.169 1.00 0.00 H ATOM 341 H SER A 460 11.527 -1.929 -0.490 1.00 0.00 H ATOM 342 N GLN A 461 10.171 -5.702 -2.135 1.00 30.37 N ATOM 343 CA GLN A 461 10.417 -6.547 -3.295 1.00 34.20 C ATOM 344 C GLN A 461 9.522 -6.141 -4.471 1.00 38.20 C ATOM 345 O GLN A 461 9.959 -6.129 -5.625 1.00 37.19 O ATOM 346 CB GLN A 461 10.196 -8.017 -2.929 1.00 36.25 C ATOM 347 CG GLN A 461 10.713 -9.012 -3.946 1.00 51.01 C ATOM 348 CD GLN A 461 10.880 -10.399 -3.351 1.00 59.61 C ATOM 349 OE1 GLN A 461 11.459 -10.557 -2.277 1.00 53.32 O ATOM 350 NE2 GLN A 461 10.373 -11.410 -4.047 1.00 69.63 N ATOM 351 HE22 GLN A 461 9.891 -11.229 -4.951 1.00 0.00 H ATOM 352 HE21 GLN A 461 10.458 -12.382 -3.688 1.00 0.00 H ATOM 353 H GLN A 461 9.626 -6.083 -1.335 1.00 0.00 H ATOM 354 N ARG A 462 8.271 -5.801 -4.173 1.00 33.97 N ATOM 355 CA ARG A 462 7.325 -5.413 -5.219 1.00 31.88 C ATOM 356 C ARG A 462 7.603 -4.005 -5.736 1.00 30.29 C ATOM 357 O ARG A 462 7.382 -3.711 -6.910 1.00 35.04 O ATOM 358 CB ARG A 462 5.887 -5.507 -4.706 1.00 32.55 C ATOM 359 CG ARG A 462 5.423 -6.927 -4.408 1.00 41.47 C ATOM 360 CD ARG A 462 3.994 -6.931 -3.877 1.00 38.50 C ATOM 361 NE ARG A 462 3.054 -6.346 -4.836 1.00 36.34 N ATOM 362 CZ ARG A 462 1.847 -5.893 -4.509 1.00 34.46 C ATOM 363 NH1 ARG A 462 1.438 -5.950 -3.246 1.00 32.41 N ATOM 364 NH2 ARG A 462 1.056 -5.374 -5.440 1.00 34.78 N ATOM 365 HE ARG A 462 3.348 -6.281 -5.832 1.00 0.00 H ATOM 366 HH12 ARG A 462 0.495 -5.596 -2.988 1.00 0.00 H ATOM 367 HH11 ARG A 462 2.061 -6.348 -2.515 1.00 0.00 H ATOM 368 HH22 ARG A 462 0.113 -5.020 -5.183 1.00 0.00 H ATOM 369 HH21 ARG A 462 1.380 -5.321 -6.427 1.00 0.00 H ATOM 370 H ARG A 462 7.961 -5.811 -3.180 1.00 0.00 H ATOM 371 N ASN A 463 8.102 -3.150 -4.856 1.00 31.36 N ATOM 372 CA ASN A 463 8.404 -1.760 -5.179 1.00 32.57 C ATOM 373 C ASN A 463 9.832 -1.418 -4.767 1.00 35.01 C ATOM 374 O ASN A 463 10.054 -0.846 -3.697 1.00 30.10 O ATOM 375 CB ASN A 463 7.420 -0.820 -4.473 1.00 33.61 C ATOM 376 CG ASN A 463 5.974 -1.165 -4.764 1.00 32.50 C ATOM 377 OD1 ASN A 463 5.422 -0.750 -5.774 1.00 34.51 O ATOM 378 ND2 ASN A 463 5.351 -1.926 -3.869 1.00 28.06 N ATOM 379 HD22 ASN A 463 5.859 -2.257 -3.024 1.00 0.00 H ATOM 380 HD21 ASN A 463 4.356 -2.190 -4.014 1.00 0.00 H ATOM 381 H ASN A 463 8.287 -3.486 -3.889 1.00 0.00 H ATOM 382 N PRO A 464 10.808 -1.794 -5.603 1.00 32.96 N ATOM 383 CA PRO A 464 12.234 -1.651 -5.282 1.00 42.00 C ATOM 384 C PRO A 464 12.685 -0.211 -5.040 1.00 38.19 C ATOM 385 O PRO A 464 13.762 -0.008 -4.482 1.00 40.84 O ATOM 386 CB PRO A 464 12.926 -2.232 -6.518 1.00 49.92 C ATOM 387 CG PRO A 464 11.939 -3.187 -7.080 1.00 50.00 C ATOM 388 CD PRO A 464 10.601 -2.557 -6.846 1.00 36.71 C ATOM 389 N GLN A 465 11.879 0.768 -5.439 1.00 35.55 N ATOM 390 CA GLN A 465 12.199 2.166 -5.171 1.00 36.18 C ATOM 391 C GLN A 465 11.824 2.553 -3.742 1.00 38.61 C ATOM 392 O GLN A 465 12.181 3.630 -3.260 1.00 37.32 O ATOM 393 CB GLN A 465 11.480 3.085 -6.169 1.00 41.76 C ATOM 394 CG GLN A 465 9.965 3.219 -5.964 1.00 44.40 C ATOM 395 CD GLN A 465 9.167 2.031 -6.490 1.00 48.66 C ATOM 396 OE1 GLN A 465 9.707 0.944 -6.710 1.00 47.32 O ATOM 397 NE2 GLN A 465 7.868 2.240 -6.701 1.00 46.68 N ATOM 398 HE22 GLN A 465 7.452 3.172 -6.502 1.00 0.00 H ATOM 399 HE21 GLN A 465 7.270 1.471 -7.064 1.00 0.00 H ATOM 400 H GLN A 465 11.005 0.533 -5.951 1.00 0.00 H ATOM 401 N GLY A 466 11.111 1.662 -3.062 1.00 29.02 N ATOM 402 CA GLY A 466 10.556 1.976 -1.766 1.00 27.80 C ATOM 403 C GLY A 466 10.989 0.998 -0.699 1.00 27.85 C ATOM 404 O GLY A 466 11.895 0.183 -0.902 1.00 26.60 O ATOM 405 H GLY A 466 10.949 0.720 -3.471 1.00 0.00 H ATOM 406 N PHE A 467 10.324 1.087 0.443 1.00 24.53 N ATOM 407 CA PHE A 467 10.683 0.305 1.606 1.00 25.37 C ATOM 408 C PHE A 467 9.440 -0.274 2.265 1.00 25.16 C ATOM 409 O PHE A 467 8.314 0.112 1.950 1.00 22.12 O ATOM 410 CB PHE A 467 11.474 1.174 2.595 1.00 24.93 C ATOM 411 CG PHE A 467 12.718 1.779 1.997 1.00 26.06 C ATOM 412 CD1 PHE A 467 13.924 1.096 2.039 1.00 28.69 C ATOM 413 CD2 PHE A 467 12.678 3.020 1.377 1.00 31.96 C ATOM 414 CE1 PHE A 467 15.069 1.641 1.482 1.00 33.32 C ATOM 415 CE2 PHE A 467 13.821 3.571 0.813 1.00 37.32 C ATOM 416 CZ PHE A 467 15.018 2.879 0.865 1.00 37.59 C ATOM 417 H PHE A 467 9.517 1.740 0.506 1.00 0.00 H ATOM 418 N VAL A 468 9.647 -1.231 3.163 1.00 21.30 N ATOM 419 CA VAL A 468 8.555 -1.754 3.969 1.00 24.40 C ATOM 420 C VAL A 468 8.925 -1.722 5.443 1.00 21.92 C ATOM 421 O VAL A 468 10.018 -2.140 5.829 1.00 24.13 O ATOM 422 CB VAL A 468 8.183 -3.205 3.579 1.00 24.90 C ATOM 423 CG1 VAL A 468 6.958 -3.662 4.376 1.00 20.88 C ATOM 424 CG2 VAL A 468 7.916 -3.311 2.082 1.00 27.76 C ATOM 425 H VAL A 468 10.606 -1.613 3.292 1.00 0.00 H ATOM 426 N LEU A 469 8.019 -1.182 6.252 1.00 17.63 N ATOM 427 CA LEU A 469 8.102 -1.292 7.695 1.00 20.40 C ATOM 428 C LEU A 469 7.347 -2.556 8.074 1.00 20.83 C ATOM 429 O LEU A 469 6.131 -2.641 7.882 1.00 22.67 O ATOM 430 CB LEU A 469 7.513 -0.044 8.362 1.00 17.77 C ATOM 431 CG LEU A 469 7.238 -0.094 9.863 1.00 19.22 C ATOM 432 CD1 LEU A 469 8.542 -0.302 10.631 1.00 22.83 C ATOM 433 CD2 LEU A 469 6.538 1.198 10.274 1.00 18.74 C ATOM 434 H LEU A 469 7.221 -0.661 5.834 1.00 0.00 H ATOM 435 N SER A 470 8.075 -3.550 8.568 1.00 20.42 N ATOM 436 CA SER A 470 7.474 -4.818 8.963 1.00 21.17 C ATOM 437 C SER A 470 7.401 -4.836 10.478 1.00 23.26 C ATOM 438 O SER A 470 8.421 -4.716 11.147 1.00 23.41 O ATOM 439 CB SER A 470 8.277 -6.003 8.439 1.00 22.76 C ATOM 440 OG SER A 470 8.252 -6.035 7.014 1.00 24.43 O ATOM 441 HG SER A 470 7.316 -6.119 6.703 1.00 0.00 H ATOM 442 H SER A 470 9.101 -3.421 8.676 1.00 0.00 H ATOM 443 N LEU A 471 6.187 -4.975 10.998 1.00 18.96 N ATOM 444 CA LEU A 471 5.902 -4.716 12.405 1.00 21.56 C ATOM 445 C LEU A 471 5.052 -5.821 13.007 1.00 23.76 C ATOM 446 O LEU A 471 4.013 -6.181 12.458 1.00 26.46 O ATOM 447 CB LEU A 471 5.190 -3.364 12.530 1.00 25.09 C ATOM 448 CG LEU A 471 4.521 -2.911 13.826 1.00 30.85 C ATOM 449 CD1 LEU A 471 5.538 -2.735 14.950 1.00 27.05 C ATOM 450 CD2 LEU A 471 3.761 -1.611 13.573 1.00 32.56 C ATOM 451 H LEU A 471 5.410 -5.280 10.378 1.00 0.00 H ATOM 452 N CYS A 472 5.488 -6.361 14.143 1.00 22.37 N ATOM 453 CA CYS A 472 4.693 -7.356 14.837 1.00 22.88 C ATOM 454 C CYS A 472 3.738 -6.684 15.818 1.00 24.56 C ATOM 455 O CYS A 472 4.156 -5.878 16.648 1.00 24.67 O ATOM 456 CB CYS A 472 5.587 -8.345 15.589 1.00 25.65 C ATOM 457 SG CYS A 472 4.670 -9.652 16.432 1.00 30.28 S ATOM 458 H CYS A 472 6.405 -6.067 14.536 1.00 0.00 H ATOM 459 N HIS A 473 2.456 -7.004 15.704 1.00 22.08 N ATOM 460 CA HIS A 473 1.462 -6.518 16.650 1.00 24.01 C ATOM 461 C HIS A 473 0.526 -7.663 17.004 1.00 25.91 C ATOM 462 O HIS A 473 -0.095 -8.263 16.120 1.00 27.10 O ATOM 463 CB HIS A 473 0.687 -5.325 16.073 1.00 22.95 C ATOM 464 CG HIS A 473 -0.356 -4.779 17.001 1.00 24.20 C ATOM 465 ND1 HIS A 473 -0.080 -4.407 18.300 1.00 30.32 N ATOM 466 CD2 HIS A 473 -1.677 -4.549 16.818 1.00 31.51 C ATOM 467 CE1 HIS A 473 -1.185 -3.967 18.874 1.00 32.18 C ATOM 468 NE2 HIS A 473 -2.168 -4.040 17.995 1.00 32.65 N ATOM 469 H HIS A 473 2.154 -7.617 14.920 1.00 0.00 H ATOM 470 N LEU A 474 0.456 -7.979 18.295 1.00 25.44 N ATOM 471 CA LEU A 474 -0.339 -9.099 18.788 1.00 27.74 C ATOM 472 C LEU A 474 -0.029 -10.371 17.988 1.00 30.56 C ATOM 473 O LEU A 474 -0.934 -11.070 17.521 1.00 30.56 O ATOM 474 CB LEU A 474 -1.831 -8.767 18.733 1.00 29.36 C ATOM 475 CG LEU A 474 -2.235 -7.433 19.373 1.00 32.09 C ATOM 476 CD1 LEU A 474 -3.734 -7.207 19.256 1.00 38.13 C ATOM 477 CD2 LEU A 474 -1.795 -7.357 20.834 1.00 32.49 C ATOM 478 H LEU A 474 0.989 -7.405 18.979 1.00 0.00 H ATOM 479 N GLN A 475 1.266 -10.623 17.810 1.00 27.25 N ATOM 480 CA GLN A 475 1.785 -11.864 17.230 1.00 28.24 C ATOM 481 C GLN A 475 1.423 -12.057 15.756 1.00 31.44 C ATOM 482 O GLN A 475 1.533 -13.161 15.218 1.00 36.45 O ATOM 483 CB GLN A 475 1.309 -13.065 18.053 1.00 33.14 C ATOM 484 CG GLN A 475 1.698 -12.981 19.516 1.00 37.93 C ATOM 485 CD GLN A 475 1.429 -14.264 20.268 1.00 46.78 C ATOM 486 OE1 GLN A 475 1.443 -15.347 19.689 1.00 46.62 O ATOM 487 NE2 GLN A 475 1.173 -14.148 21.564 1.00 50.77 N ATOM 488 HE22 GLN A 475 1.172 -13.209 22.012 1.00 0.00 H ATOM 489 HE21 GLN A 475 0.973 -14.996 22.133 1.00 0.00 H ATOM 490 H GLN A 475 1.950 -9.895 18.100 1.00 0.00 H ATOM 491 N LYS A 476 1.011 -10.975 15.107 1.00 26.64 N ATOM 492 CA LYS A 476 0.815 -10.971 13.657 1.00 27.11 C ATOM 493 C LYS A 476 1.734 -9.943 13.032 1.00 23.80 C ATOM 494 O LYS A 476 1.837 -8.816 13.520 1.00 26.64 O ATOM 495 CB LYS A 476 -0.637 -10.666 13.301 1.00 30.53 C ATOM 496 CG LYS A 476 -1.607 -11.738 13.744 1.00 36.99 C ATOM 497 CD LYS A 476 -3.045 -11.323 13.500 1.00 50.77 C ATOM 498 CE LYS A 476 -4.007 -12.376 14.029 1.00 61.71 C ATOM 499 NZ LYS A 476 -3.714 -13.726 13.469 1.00 69.23 N ATOM 500 HZ1 LYS A 476 -3.800 -13.696 12.433 1.00 0.00 H ATOM 501 HZ2 LYS A 476 -2.747 -14.006 13.730 1.00 0.00 H ATOM 502 HZ3 LYS A 476 -4.392 -14.414 13.854 1.00 0.00 H ATOM 503 H LYS A 476 0.822 -10.105 15.645 1.00 0.00 H ATOM 504 N VAL A 477 2.400 -10.319 11.945 1.00 26.00 N ATOM 505 CA VAL A 477 3.311 -9.397 11.287 1.00 24.07 C ATOM 506 C VAL A 477 2.592 -8.615 10.190 1.00 23.35 C ATOM 507 O VAL A 477 1.975 -9.195 9.286 1.00 26.72 O ATOM 508 CB VAL A 477 4.531 -10.135 10.702 1.00 28.88 C ATOM 509 CG1 VAL A 477 5.484 -9.146 10.052 1.00 29.74 C ATOM 510 CG2 VAL A 477 5.243 -10.909 11.804 1.00 31.38 C ATOM 511 H VAL A 477 2.269 -11.278 11.563 1.00 0.00 H ATOM 512 N LYS A 478 2.671 -7.294 10.296 1.00 21.16 N ATOM 513 CA LYS A 478 2.049 -6.388 9.336 1.00 23.29 C ATOM 514 C LYS A 478 3.126 -5.713 8.504 1.00 22.02 C ATOM 515 O LYS A 478 4.262 -5.552 8.950 1.00 22.53 O ATOM 516 CB LYS A 478 1.207 -5.332 10.058 1.00 26.98 C ATOM 517 CG LYS A 478 0.109 -5.894 10.959 1.00 36.14 C ATOM 518 CD LYS A 478 -1.004 -6.512 10.130 1.00 46.58 C ATOM 519 CE LYS A 478 -2.265 -6.736 10.952 1.00 54.73 C ATOM 520 NZ LYS A 478 -2.038 -7.693 12.064 1.00 57.68 N ATOM 521 HZ1 LYS A 478 -1.735 -8.609 11.675 1.00 0.00 H ATOM 522 HZ2 LYS A 478 -1.299 -7.321 12.694 1.00 0.00 H ATOM 523 HZ3 LYS A 478 -2.921 -7.817 12.599 1.00 0.00 H ATOM 524 H LYS A 478 3.198 -6.888 11.096 1.00 0.00 H ATOM 525 N HIS A 479 2.769 -5.302 7.294 1.00 19.95 N ATOM 526 CA HIS A 479 3.744 -4.698 6.399 1.00 22.86 C ATOM 527 C HIS A 479 3.227 -3.377 5.855 1.00 22.35 C ATOM 528 O HIS A 479 2.189 -3.335 5.185 1.00 22.57 O ATOM 529 CB HIS A 479 4.079 -5.663 5.264 1.00 20.90 C ATOM 530 CG HIS A 479 4.572 -6.990 5.747 1.00 22.05 C ATOM 531 ND1 HIS A 479 5.900 -7.231 6.029 1.00 26.71 N ATOM 532 CD2 HIS A 479 3.911 -8.136 6.036 1.00 22.94 C ATOM 533 CE1 HIS A 479 6.038 -8.472 6.458 1.00 26.47 C ATOM 534 NE2 HIS A 479 4.846 -9.043 6.473 1.00 27.17 N ATOM 535 H HIS A 479 1.783 -5.413 6.982 1.00 0.00 H ATOM 536 N TYR A 480 3.958 -2.306 6.158 1.00 20.44 N ATOM 537 CA TYR A 480 3.571 -0.956 5.752 1.00 19.88 C ATOM 538 C TYR A 480 4.503 -0.426 4.679 1.00 19.22 C ATOM 539 O TYR A 480 5.699 -0.246 4.917 1.00 20.53 O ATOM 540 CB TYR A 480 3.547 -0.029 6.978 1.00 20.27 C ATOM 541 CG TYR A 480 2.565 -0.552 7.985 1.00 20.47 C ATOM 542 CD1 TYR A 480 2.968 -1.454 8.962 1.00 20.83 C ATOM 543 CD2 TYR A 480 1.223 -0.216 7.913 1.00 23.58 C ATOM 544 CE1 TYR A 480 2.070 -1.979 9.852 1.00 22.63 C ATOM 545 CE2 TYR A 480 0.310 -0.738 8.815 1.00 26.06 C ATOM 546 CZ TYR A 480 0.747 -1.622 9.775 1.00 23.21 C ATOM 547 OH TYR A 480 -0.139 -2.167 10.670 1.00 26.54 O ATOM 548 HH TYR A 480 -0.832 -2.675 10.179 1.00 0.00 H ATOM 549 H TYR A 480 4.835 -2.434 6.702 1.00 0.00 H ATOM 550 N LEU A 481 3.947 -0.192 3.490 1.00 18.36 N ATOM 551 CA LEU A 481 4.715 0.320 2.373 1.00 19.38 C ATOM 552 C LEU A 481 5.141 1.760 2.610 1.00 21.90 C ATOM 553 O LEU A 481 4.344 2.588 3.061 1.00 23.12 O ATOM 554 CB LEU A 481 3.898 0.218 1.089 1.00 18.01 C ATOM 555 CG LEU A 481 4.605 0.595 -0.218 1.00 20.74 C ATOM 556 CD1 LEU A 481 5.802 -0.316 -0.494 1.00 21.81 C ATOM 557 CD2 LEU A 481 3.615 0.523 -1.361 1.00 21.74 C ATOM 558 H LEU A 481 2.933 -0.382 3.361 1.00 0.00 H ATOM 559 N ILE A 482 6.408 2.040 2.322 1.00 20.61 N ATOM 560 CA ILE A 482 6.965 3.381 2.429 1.00 21.05 C ATOM 561 C ILE A 482 7.448 3.803 1.051 1.00 22.15 C ATOM 562 O ILE A 482 8.363 3.185 0.502 1.00 23.66 O ATOM 563 CB ILE A 482 8.145 3.445 3.424 1.00 19.31 C ATOM 564 CG1 ILE A 482 7.730 2.908 4.800 1.00 20.33 C ATOM 565 CG2 ILE A 482 8.694 4.876 3.492 1.00 20.05 C ATOM 566 CD1 ILE A 482 8.922 2.611 5.723 1.00 25.00 C ATOM 567 H ILE A 482 7.029 1.267 2.006 1.00 0.00 H ATOM 568 N LEU A 483 6.837 4.842 0.484 1.00 20.13 N ATOM 569 CA LEU A 483 7.171 5.257 -0.873 1.00 22.45 C ATOM 570 C LEU A 483 7.807 6.646 -0.924 1.00 24.40 C ATOM 571 O LEU A 483 7.400 7.547 -0.183 1.00 25.34 O ATOM 572 CB LEU A 483 5.915 5.235 -1.755 1.00 25.52 C ATOM 573 CG LEU A 483 5.297 3.870 -2.066 1.00 27.77 C ATOM 574 CD1 LEU A 483 4.018 4.040 -2.876 1.00 28.88 C ATOM 575 CD2 LEU A 483 6.293 2.994 -2.807 1.00 26.34 C ATOM 576 H LEU A 483 6.112 5.364 1.016 1.00 0.00 H ATOM 577 N PRO A 484 8.806 6.826 -1.803 1.00 25.38 N ATOM 578 CA PRO A 484 9.388 8.144 -2.049 1.00 27.14 C ATOM 579 C PRO A 484 8.487 8.995 -2.935 1.00 31.13 C ATOM 580 O PRO A 484 7.821 8.465 -3.826 1.00 30.99 O ATOM 581 CB PRO A 484 10.696 7.818 -2.772 1.00 30.63 C ATOM 582 CG PRO A 484 10.371 6.580 -3.545 1.00 31.00 C ATOM 583 CD PRO A 484 9.398 5.796 -2.684 1.00 31.29 C ATOM 584 N SER A 485 8.459 10.298 -2.684 1.00 29.60 N ATOM 585 CA SER A 485 7.847 11.250 -3.611 1.00 31.17 C ATOM 586 C SER A 485 8.702 12.503 -3.656 1.00 36.90 C ATOM 587 O SER A 485 9.554 12.712 -2.797 1.00 35.96 O ATOM 588 CB SER A 485 6.416 11.603 -3.199 1.00 38.75 C ATOM 589 OG SER A 485 5.598 10.449 -3.109 1.00 43.62 O ATOM 590 HG SER A 485 5.974 9.831 -2.433 1.00 0.00 H ATOM 591 H SER A 485 8.884 10.652 -1.803 1.00 0.00 H ATOM 592 N GLU A 486 8.480 13.335 -4.664 1.00 44.59 N ATOM 593 CA GLU A 486 9.228 14.574 -4.794 1.00 57.22 C ATOM 594 C GLU A 486 8.281 15.761 -4.867 1.00 62.82 C ATOM 595 O GLU A 486 7.424 15.825 -5.747 1.00 73.23 O ATOM 596 CB GLU A 486 10.126 14.535 -6.032 1.00 60.40 C ATOM 597 H GLU A 486 7.758 13.097 -5.374 1.00 0.00 H ATOM 598 N GLU A 487 8.429 16.692 -3.931 1.00 59.13 N ATOM 599 CA GLU A 487 7.668 17.934 -3.976 1.00 66.43 C ATOM 600 C GLU A 487 8.616 19.109 -4.175 1.00 64.85 C ATOM 601 O GLU A 487 9.470 19.370 -3.328 1.00 62.07 O ATOM 602 CB GLU A 487 6.846 18.124 -2.701 1.00 69.81 C ATOM 603 CG GLU A 487 5.803 19.225 -2.809 1.00 76.03 C ATOM 604 CD GLU A 487 5.464 19.844 -1.468 1.00 78.38 C ATOM 605 OE1 GLU A 487 6.400 20.103 -0.682 1.00 80.09 O ATOM 606 OE2 GLU A 487 4.265 20.069 -1.199 1.00 77.69 O ATOM 607 H GLU A 487 9.100 16.532 -3.152 1.00 0.00 H ATOM 608 N GLU A 488 8.456 19.803 -5.301 1.00 65.04 N ATOM 609 CA GLU A 488 9.329 20.912 -5.686 1.00 73.41 C ATOM 610 C GLU A 488 10.799 20.501 -5.655 1.00 78.09 C ATOM 611 O GLU A 488 11.649 21.239 -5.157 1.00 81.93 O ATOM 612 CB GLU A 488 9.100 22.125 -4.779 1.00 73.63 C ATOM 613 H GLU A 488 7.674 19.544 -5.936 1.00 0.00 H ATOM 614 N GLY A 489 11.086 19.314 -6.182 1.00 77.16 N ATOM 615 CA GLY A 489 12.448 18.817 -6.265 1.00 76.90 C ATOM 616 C GLY A 489 13.025 18.381 -4.931 1.00 71.83 C ATOM 617 O GLY A 489 14.240 18.226 -4.795 1.00 73.23 O ATOM 618 H GLY A 489 10.311 18.724 -6.546 1.00 0.00 H ATOM 619 N ARG A 490 12.154 18.184 -3.946 1.00 62.63 N ATOM 620 CA ARG A 490 12.582 17.766 -2.615 1.00 55.35 C ATOM 621 C ARG A 490 11.976 16.417 -2.237 1.00 51.72 C ATOM 622 O ARG A 490 10.761 16.293 -2.080 1.00 52.97 O ATOM 623 CB ARG A 490 12.204 18.821 -1.575 1.00 56.82 C ATOM 624 H ARG A 490 11.141 18.332 -4.129 1.00 0.00 H ATOM 625 N LEU A 491 12.840 15.418 -2.077 1.00 47.84 N ATOM 626 CA LEU A 491 12.425 14.051 -1.769 1.00 38.02 C ATOM 627 C LEU A 491 11.855 13.890 -0.361 1.00 36.28 C ATOM 628 O LEU A 491 12.438 14.369 0.615 1.00 40.00 O ATOM 629 CB LEU A 491 13.613 13.102 -1.943 1.00 43.70 C ATOM 630 CG LEU A 491 13.434 11.680 -1.407 1.00 50.62 C ATOM 631 CD1 LEU A 491 12.416 10.930 -2.247 1.00 49.79 C ATOM 632 CD2 LEU A 491 14.763 10.941 -1.378 1.00 54.95 C ATOM 633 H LEU A 491 13.856 15.619 -2.175 1.00 0.00 H ATOM 634 N TYR A 492 10.718 13.207 -0.255 1.00 31.64 N ATOM 635 CA TYR A 492 10.218 12.781 1.046 1.00 29.59 C ATOM 636 C TYR A 492 9.680 11.354 0.977 1.00 25.54 C ATOM 637 O TYR A 492 9.429 10.822 -0.108 1.00 28.71 O ATOM 638 CB TYR A 492 9.130 13.732 1.571 1.00 32.15 C ATOM 639 CG TYR A 492 7.828 13.707 0.797 1.00 32.13 C ATOM 640 CD1 TYR A 492 6.838 12.772 1.086 1.00 28.74 C ATOM 641 CD2 TYR A 492 7.584 14.627 -0.219 1.00 35.25 C ATOM 642 CE1 TYR A 492 5.650 12.744 0.374 1.00 31.87 C ATOM 643 CE2 TYR A 492 6.394 14.610 -0.932 1.00 36.33 C ATOM 644 CZ TYR A 492 5.431 13.668 -0.627 1.00 38.03 C ATOM 645 OH TYR A 492 4.249 13.648 -1.334 1.00 43.24 O ATOM 646 HH TYR A 492 3.674 12.918 -0.993 1.00 0.00 H ATOM 647 H TYR A 492 10.178 12.974 -1.113 1.00 0.00 H ATOM 648 N PHE A 493 9.502 10.747 2.142 1.00 24.59 N ATOM 649 CA PHE A 493 8.944 9.405 2.236 1.00 24.15 C ATOM 650 C PHE A 493 7.618 9.449 2.971 1.00 24.73 C ATOM 651 O PHE A 493 7.444 10.248 3.884 1.00 23.08 O ATOM 652 CB PHE A 493 9.917 8.465 2.951 1.00 24.67 C ATOM 653 CG PHE A 493 11.186 8.220 2.187 1.00 25.40 C ATOM 654 CD1 PHE A 493 11.269 7.183 1.267 1.00 27.24 C ATOM 655 CD2 PHE A 493 12.295 9.028 2.381 1.00 32.17 C ATOM 656 CE1 PHE A 493 12.435 6.954 0.564 1.00 33.83 C ATOM 657 CE2 PHE A 493 13.465 8.808 1.676 1.00 40.02 C ATOM 658 CZ PHE A 493 13.535 7.770 0.764 1.00 40.51 C ATOM 659 H PHE A 493 9.769 11.244 3.016 1.00 0.00 H ATOM 660 N SER A 494 6.689 8.582 2.584 1.00 22.68 N ATOM 661 CA SER A 494 5.380 8.555 3.223 1.00 21.17 C ATOM 662 C SER A 494 4.722 7.175 3.178 1.00 20.33 C ATOM 663 O SER A 494 4.913 6.414 2.219 1.00 22.65 O ATOM 664 CB SER A 494 4.464 9.587 2.568 1.00 25.56 C ATOM 665 OG SER A 494 3.183 9.604 3.165 1.00 26.45 O ATOM 666 HG SER A 494 3.271 9.829 4.125 1.00 0.00 H ATOM 667 H SER A 494 6.899 7.914 1.815 1.00 0.00 H ATOM 668 N MET A 495 3.937 6.873 4.209 1.00 21.95 N ATOM 669 CA MET A 495 3.165 5.636 4.281 1.00 19.78 C ATOM 670 C MET A 495 1.687 5.887 3.994 1.00 23.29 C ATOM 671 O MET A 495 0.882 4.956 3.983 1.00 22.37 O ATOM 672 CB MET A 495 3.315 4.987 5.657 1.00 18.78 C ATOM 673 CG MET A 495 4.725 4.571 5.975 1.00 19.17 C ATOM 674 SD MET A 495 4.812 3.631 7.508 1.00 20.84 S ATOM 675 CE MET A 495 4.491 4.910 8.724 1.00 20.42 C ATOM 676 H MET A 495 3.870 7.547 4.998 1.00 0.00 H ATOM 677 N ASP A 496 1.325 7.144 3.751 1.00 21.12 N ATOM 678 CA ASP A 496 -0.086 7.485 3.598 1.00 20.61 C ATOM 679 C ASP A 496 -0.351 8.517 2.509 1.00 26.64 C ATOM 680 O ASP A 496 -1.178 9.409 2.681 1.00 28.77 O ATOM 681 CB ASP A 496 -0.662 7.973 4.945 1.00 25.20 C ATOM 682 CG ASP A 496 0.124 9.139 5.552 1.00 24.83 C ATOM 683 OD1 ASP A 496 0.949 9.748 4.837 1.00 23.47 O ATOM 684 OD2 ASP A 496 -0.101 9.456 6.749 1.00 24.04 O ATOM 685 H ASP A 496 2.049 7.886 3.670 1.00 0.00 H ATOM 686 N ASP A 497 0.346 8.369 1.387 1.00 24.16 N ATOM 687 CA ASP A 497 0.138 9.195 0.199 1.00 27.40 C ATOM 688 C ASP A 497 0.382 10.674 0.493 1.00 33.07 C ATOM 689 O ASP A 497 -0.273 11.545 -0.073 1.00 34.95 O ATOM 690 CB ASP A 497 -1.269 8.992 -0.364 1.00 34.75 C ATOM 691 CG ASP A 497 -1.392 7.712 -1.172 1.00 43.02 C ATOM 692 OD1 ASP A 497 -0.440 7.390 -1.916 1.00 43.45 O ATOM 693 OD2 ASP A 497 -2.439 7.038 -1.072 1.00 48.63 O ATOM 694 H ASP A 497 1.076 7.629 1.353 1.00 0.00 H ATOM 695 N GLY A 498 1.328 10.946 1.384 1.00 27.90 N ATOM 696 CA GLY A 498 1.760 12.309 1.621 1.00 28.07 C ATOM 697 C GLY A 498 1.034 13.050 2.727 1.00 31.12 C ATOM 698 O GLY A 498 1.281 14.237 2.929 1.00 29.56 O ATOM 699 H GLY A 498 1.766 10.169 1.920 1.00 0.00 H ATOM 700 N GLN A 499 0.136 12.378 3.436 1.00 24.75 N ATOM 701 CA GLN A 499 -0.506 13.013 4.589 1.00 27.29 C ATOM 702 C GLN A 499 0.514 13.241 5.702 1.00 26.51 C ATOM 703 O GLN A 499 0.463 14.255 6.408 1.00 28.11 O ATOM 704 CB GLN A 499 -1.676 12.174 5.102 1.00 29.44 C ATOM 705 CG GLN A 499 -2.900 12.234 4.211 1.00 36.09 C ATOM 706 CD GLN A 499 -3.370 13.658 3.991 1.00 51.56 C ATOM 707 OE1 GLN A 499 -3.400 14.464 4.923 1.00 52.21 O ATOM 708 NE2 GLN A 499 -3.732 13.981 2.753 1.00 58.89 N ATOM 709 HE22 GLN A 499 -3.691 13.268 1.997 1.00 0.00 H ATOM 710 HE21 GLN A 499 -4.056 14.946 2.541 1.00 0.00 H ATOM 711 H GLN A 499 -0.111 11.403 3.174 1.00 0.00 H ATOM 712 N THR A 500 1.432 12.292 5.855 1.00 21.69 N ATOM 713 CA THR A 500 2.522 12.404 6.824 1.00 22.05 C ATOM 714 C THR A 500 3.832 12.146 6.095 1.00 23.95 C ATOM 715 O THR A 500 4.007 11.093 5.473 1.00 23.42 O ATOM 716 CB THR A 500 2.388 11.419 7.997 1.00 21.77 C ATOM 717 OG1 THR A 500 1.017 11.315 8.397 1.00 23.90 O ATOM 718 CG2 THR A 500 3.233 11.897 9.183 1.00 22.46 C ATOM 719 HG1 THR A 500 0.476 10.989 7.635 1.00 0.00 H ATOM 720 H THR A 500 1.373 11.438 5.264 1.00 0.00 H ATOM 721 N ARG A 501 4.748 13.105 6.174 1.00 21.75 N ATOM 722 CA ARG A 501 5.935 13.100 5.326 1.00 20.61 C ATOM 723 C ARG A 501 7.215 13.119 6.137 1.00 24.89 C ATOM 724 O ARG A 501 7.292 13.782 7.172 1.00 23.27 O ATOM 725 CB ARG A 501 5.916 14.303 4.383 1.00 24.22 C ATOM 726 CG ARG A 501 4.692 14.348 3.495 1.00 26.79 C ATOM 727 CD ARG A 501 4.725 15.527 2.552 1.00 29.70 C ATOM 728 NE ARG A 501 3.502 15.567 1.759 1.00 32.13 N ATOM 729 CZ ARG A 501 3.316 16.351 0.705 1.00 35.96 C ATOM 730 NH1 ARG A 501 4.283 17.163 0.300 1.00 41.39 N ATOM 731 NH2 ARG A 501 2.164 16.311 0.048 1.00 38.77 N ATOM 732 HE ARG A 501 2.722 14.938 2.039 1.00 0.00 H ATOM 733 HH12 ARG A 501 4.135 17.777 -0.527 1.00 0.00 H ATOM 734 HH11 ARG A 501 5.190 17.186 0.809 1.00 0.00 H ATOM 735 HH22 ARG A 501 2.015 16.924 -0.779 1.00 0.00 H ATOM 736 HH21 ARG A 501 1.410 15.666 0.360 1.00 0.00 H ATOM 737 H ARG A 501 4.616 13.878 6.857 1.00 0.00 H ATOM 738 N PHE A 502 8.229 12.420 5.639 1.00 21.54 N ATOM 739 CA PHE A 502 9.514 12.326 6.317 1.00 23.44 C ATOM 740 C PHE A 502 10.677 12.496 5.354 1.00 25.72 C ATOM 741 O PHE A 502 10.609 12.075 4.203 1.00 26.97 O ATOM 742 CB PHE A 502 9.617 10.989 7.051 1.00 21.23 C ATOM 743 CG PHE A 502 8.536 10.796 8.073 1.00 24.17 C ATOM 744 CD1 PHE A 502 8.657 11.363 9.334 1.00 23.64 C ATOM 745 CD2 PHE A 502 7.387 10.085 7.762 1.00 24.11 C ATOM 746 CE1 PHE A 502 7.648 11.211 10.278 1.00 21.81 C ATOM 747 CE2 PHE A 502 6.376 9.921 8.696 1.00 23.50 C ATOM 748 CZ PHE A 502 6.505 10.488 9.957 1.00 21.95 C ATOM 749 H PHE A 502 8.101 11.923 4.734 1.00 0.00 H ATOM 750 N THR A 503 11.746 13.126 5.830 1.00 23.51 N ATOM 751 CA THR A 503 12.906 13.375 4.987 1.00 28.29 C ATOM 752 C THR A 503 13.675 12.089 4.700 1.00 30.76 C ATOM 753 O THR A 503 14.262 11.932 3.628 1.00 35.02 O ATOM 754 CB THR A 503 13.856 14.402 5.628 1.00 34.80 C ATOM 755 OG1 THR A 503 14.216 13.960 6.941 1.00 39.77 O ATOM 756 CG2 THR A 503 13.179 15.749 5.733 1.00 30.59 C ATOM 757 HG1 THR A 503 13.400 13.873 7.494 1.00 0.00 H ATOM 758 H THR A 503 11.754 13.446 6.820 1.00 0.00 H ATOM 759 N ASP A 504 13.671 11.173 5.664 1.00 28.35 N ATOM 760 CA ASP A 504 14.394 9.915 5.527 1.00 29.23 C ATOM 761 C ASP A 504 13.790 8.859 6.441 1.00 29.24 C ATOM 762 O ASP A 504 12.881 9.155 7.217 1.00 25.08 O ATOM 763 CB ASP A 504 15.884 10.108 5.832 1.00 32.24 C ATOM 764 CG ASP A 504 16.129 10.849 7.137 1.00 33.62 C ATOM 765 OD1 ASP A 504 15.546 10.468 8.166 1.00 35.15 O ATOM 766 OD2 ASP A 504 16.910 11.820 7.131 1.00 46.05 O ATOM 767 H ASP A 504 13.138 11.359 6.538 1.00 0.00 H ATOM 768 N LEU A 505 14.289 7.629 6.347 1.00 26.81 N ATOM 769 CA LEU A 505 13.729 6.533 7.136 1.00 24.85 C ATOM 770 C LEU A 505 13.955 6.728 8.632 1.00 25.52 C ATOM 771 O LEU A 505 13.104 6.364 9.444 1.00 23.94 O ATOM 772 CB LEU A 505 14.322 5.200 6.680 1.00 25.54 C ATOM 773 CG LEU A 505 14.014 4.842 5.218 1.00 28.10 C ATOM 774 CD1 LEU A 505 14.623 3.498 4.841 1.00 28.33 C ATOM 775 CD2 LEU A 505 12.507 4.839 4.982 1.00 28.01 C ATOM 776 H LEU A 505 15.086 7.445 5.705 1.00 0.00 H ATOM 777 N LEU A 506 15.092 7.311 8.995 1.00 28.43 N ATOM 778 CA LEU A 506 15.383 7.554 10.405 1.00 27.41 C ATOM 779 C LEU A 506 14.326 8.449 11.036 1.00 29.67 C ATOM 780 O LEU A 506 13.849 8.164 12.142 1.00 27.36 O ATOM 781 CB LEU A 506 16.772 8.170 10.583 1.00 29.02 C ATOM 782 CG LEU A 506 17.173 8.441 12.036 1.00 33.61 C ATOM 783 CD1 LEU A 506 17.067 7.167 12.862 1.00 36.20 C ATOM 784 CD2 LEU A 506 18.580 9.008 12.111 1.00 37.30 C ATOM 785 H LEU A 506 15.780 7.597 8.269 1.00 0.00 H ATOM 786 N GLN A 507 13.942 9.515 10.336 1.00 25.55 N ATOM 787 CA GLN A 507 12.931 10.423 10.872 1.00 26.44 C ATOM 788 C GLN A 507 11.597 9.698 11.029 1.00 22.82 C ATOM 789 O GLN A 507 10.884 9.902 12.007 1.00 23.74 O ATOM 790 CB GLN A 507 12.759 11.664 9.987 1.00 29.81 C ATOM 791 CG GLN A 507 11.902 12.747 10.646 1.00 28.37 C ATOM 792 CD GLN A 507 11.552 13.894 9.719 1.00 29.53 C ATOM 793 OE1 GLN A 507 11.576 13.749 8.498 1.00 29.02 O ATOM 794 NE2 GLN A 507 11.217 15.048 10.301 1.00 26.66 N ATOM 795 HE22 GLN A 507 11.210 15.125 11.338 1.00 0.00 H ATOM 796 HE21 GLN A 507 10.963 15.870 9.717 1.00 0.00 H ATOM 797 H GLN A 507 14.364 9.702 9.404 1.00 0.00 H ATOM 798 N LEU A 508 11.275 8.833 10.076 1.00 20.29 N ATOM 799 CA LEU A 508 10.030 8.075 10.122 1.00 17.59 C ATOM 800 C LEU A 508 10.021 7.142 11.335 1.00 21.23 C ATOM 801 O LEU A 508 9.047 7.102 12.095 1.00 20.22 O ATOM 802 CB LEU A 508 9.847 7.284 8.814 1.00 20.65 C ATOM 803 CG LEU A 508 8.554 6.485 8.585 1.00 20.78 C ATOM 804 CD1 LEU A 508 8.291 6.304 7.099 1.00 21.57 C ATOM 805 CD2 LEU A 508 8.634 5.112 9.241 1.00 21.05 C ATOM 806 H LEU A 508 11.926 8.692 9.277 1.00 0.00 H ATOM 807 N VAL A 509 11.107 6.397 11.508 1.00 22.83 N ATOM 808 CA VAL A 509 11.211 5.449 12.618 1.00 20.34 C ATOM 809 C VAL A 509 11.148 6.187 13.951 1.00 24.71 C ATOM 810 O VAL A 509 10.400 5.795 14.850 1.00 22.33 O ATOM 811 CB VAL A 509 12.502 4.616 12.532 1.00 21.15 C ATOM 812 CG1 VAL A 509 12.749 3.849 13.827 1.00 26.53 C ATOM 813 CG2 VAL A 509 12.420 3.648 11.349 1.00 24.35 C ATOM 814 H VAL A 509 11.900 6.489 10.841 1.00 0.00 H ATOM 815 N GLU A 510 11.912 7.266 14.069 1.00 23.17 N ATOM 816 CA GLU A 510 11.971 7.995 15.328 1.00 24.84 C ATOM 817 C GLU A 510 10.622 8.608 15.693 1.00 24.33 C ATOM 818 O GLU A 510 10.262 8.660 16.867 1.00 24.57 O ATOM 819 CB GLU A 510 13.055 9.075 15.275 1.00 29.75 C ATOM 820 CG GLU A 510 14.458 8.497 15.359 1.00 32.74 C ATOM 821 CD GLU A 510 15.539 9.550 15.436 1.00 45.66 C ATOM 822 OE1 GLU A 510 15.299 10.693 14.995 1.00 49.39 O ATOM 823 OE2 GLU A 510 16.635 9.228 15.939 1.00 54.97 O ATOM 824 H GLU A 510 12.473 7.593 13.256 1.00 0.00 H ATOM 825 N PHE A 511 9.874 9.069 14.697 1.00 22.63 N ATOM 826 CA PHE A 511 8.539 9.588 14.964 1.00 20.15 C ATOM 827 C PHE A 511 7.625 8.495 15.512 1.00 21.72 C ATOM 828 O PHE A 511 6.881 8.713 16.474 1.00 20.19 O ATOM 829 CB PHE A 511 7.925 10.198 13.697 1.00 16.96 C ATOM 830 CG PHE A 511 6.563 10.785 13.918 1.00 18.45 C ATOM 831 CD1 PHE A 511 6.424 12.028 14.511 1.00 21.76 C ATOM 832 CD2 PHE A 511 5.422 10.088 13.546 1.00 18.15 C ATOM 833 CE1 PHE A 511 5.165 12.577 14.729 1.00 21.25 C ATOM 834 CE2 PHE A 511 4.157 10.637 13.763 1.00 16.92 C ATOM 835 CZ PHE A 511 4.037 11.875 14.339 1.00 17.10 C ATOM 836 H PHE A 511 10.242 9.059 13.724 1.00 0.00 H ATOM 837 N HIS A 512 7.690 7.310 14.915 1.00 20.73 N ATOM 838 CA HIS A 512 6.753 6.251 15.273 1.00 18.20 C ATOM 839 C HIS A 512 7.202 5.408 16.466 1.00 22.87 C ATOM 840 O HIS A 512 6.499 4.481 16.870 1.00 21.43 O ATOM 841 CB HIS A 512 6.484 5.360 14.055 1.00 19.48 C ATOM 842 CG HIS A 512 5.679 6.038 12.990 1.00 20.12 C ATOM 843 ND1 HIS A 512 6.257 6.758 11.964 1.00 21.31 N ATOM 844 CD2 HIS A 512 4.340 6.136 12.810 1.00 20.25 C ATOM 845 CE1 HIS A 512 5.309 7.257 11.190 1.00 23.10 C ATOM 846 NE2 HIS A 512 4.135 6.897 11.681 1.00 21.22 N ATOM 847 H HIS A 512 8.413 7.136 14.188 1.00 0.00 H ATOM 848 N GLN A 513 8.353 5.744 17.044 1.00 19.72 N ATOM 849 CA GLN A 513 8.729 5.192 18.337 1.00 20.22 C ATOM 850 C GLN A 513 7.944 5.890 19.454 1.00 22.42 C ATOM 851 O GLN A 513 7.802 5.346 20.556 1.00 25.86 O ATOM 852 CB GLN A 513 10.239 5.327 18.568 1.00 23.50 C ATOM 853 CG GLN A 513 11.057 4.379 17.687 1.00 26.14 C ATOM 854 CD GLN A 513 12.557 4.562 17.818 1.00 35.01 C ATOM 855 OE1 GLN A 513 13.045 5.656 18.102 1.00 39.94 O ATOM 856 NE2 GLN A 513 13.300 3.482 17.606 1.00 40.58 N ATOM 857 HE22 GLN A 513 12.846 2.577 17.368 1.00 0.00 H ATOM 858 HE21 GLN A 513 14.336 3.541 17.678 1.00 0.00 H ATOM 859 H GLN A 513 8.992 6.410 16.565 1.00 0.00 H ATOM 860 N LEU A 514 7.420 7.083 19.160 1.00 23.81 N ATOM 861 CA LEU A 514 6.708 7.888 20.162 1.00 23.48 C ATOM 862 C LEU A 514 5.244 8.137 19.819 1.00 19.99 C ATOM 863 O LEU A 514 4.426 8.407 20.704 1.00 23.80 O ATOM 864 CB LEU A 514 7.390 9.246 20.354 1.00 28.06 C ATOM 865 CG LEU A 514 8.651 9.366 21.201 1.00 34.51 C ATOM 866 CD1 LEU A 514 8.948 10.841 21.429 1.00 37.54 C ATOM 867 CD2 LEU A 514 8.490 8.647 22.531 1.00 35.49 C ATOM 868 H LEU A 514 7.519 7.453 18.193 1.00 0.00 H ATOM 869 N ASN A 515 4.929 8.073 18.526 1.00 19.51 N ATOM 870 CA ASN A 515 3.582 8.335 18.015 1.00 18.93 C ATOM 871 C ASN A 515 3.102 7.206 17.118 1.00 22.26 C ATOM 872 O ASN A 515 3.825 6.783 16.227 1.00 22.30 O ATOM 873 CB ASN A 515 3.564 9.655 17.229 1.00 18.34 C ATOM 874 CG ASN A 515 4.152 10.802 18.020 1.00 18.04 C ATOM 875 OD1 ASN A 515 3.479 11.405 18.848 1.00 23.52 O ATOM 876 ND2 ASN A 515 5.427 11.101 17.779 1.00 20.21 N ATOM 877 HD22 ASN A 515 5.962 10.563 17.067 1.00 0.00 H ATOM 878 HD21 ASN A 515 5.888 11.872 18.303 1.00 0.00 H ATOM 879 H ASN A 515 5.676 7.825 17.847 1.00 0.00 H ATOM 880 N ARG A 516 1.888 6.713 17.334 1.00 20.25 N ATOM 881 CA ARG A 516 1.435 5.578 16.541 1.00 19.63 C ATOM 882 C ARG A 516 1.129 5.968 15.098 1.00 21.01 C ATOM 883 O ARG A 516 1.328 5.161 14.184 1.00 20.58 O ATOM 884 CB ARG A 516 0.205 4.916 17.168 1.00 23.09 C ATOM 885 CG ARG A 516 0.510 4.265 18.503 1.00 25.86 C ATOM 886 CD ARG A 516 -0.684 3.542 19.112 1.00 27.32 C ATOM 887 NE ARG A 516 -0.386 3.139 20.488 1.00 31.95 N ATOM 888 CZ ARG A 516 -0.753 3.824 21.569 1.00 35.37 C ATOM 889 NH1 ARG A 516 -1.448 4.945 21.446 1.00 35.51 N ATOM 890 NH2 ARG A 516 -0.430 3.383 22.778 1.00 42.24 N ATOM 891 HE ARG A 516 0.148 2.258 20.630 1.00 0.00 H ATOM 892 HH12 ARG A 516 -1.732 5.476 22.294 1.00 0.00 H ATOM 893 HH11 ARG A 516 -1.709 5.294 20.502 1.00 0.00 H ATOM 894 HH22 ARG A 516 -0.718 3.920 23.621 1.00 0.00 H ATOM 895 HH21 ARG A 516 0.111 2.501 22.882 1.00 0.00 H ATOM 896 H ARG A 516 1.270 7.131 18.058 1.00 0.00 H ATOM 897 N GLY A 517 0.652 7.192 14.884 1.00 21.25 N ATOM 898 CA GLY A 517 0.258 7.599 13.540 1.00 21.68 C ATOM 899 C GLY A 517 -0.762 6.630 12.968 1.00 21.85 C ATOM 900 O GLY A 517 -1.756 6.316 13.629 1.00 22.76 O ATOM 901 H GLY A 517 0.560 7.859 15.676 1.00 0.00 H ATOM 902 N ILE A 518 -0.521 6.134 11.753 1.00 20.02 N ATOM 903 CA ILE A 518 -1.419 5.143 11.160 1.00 17.79 C ATOM 904 C ILE A 518 -1.175 3.711 11.649 1.00 19.51 C ATOM 905 O ILE A 518 -1.944 2.807 11.323 1.00 20.83 O ATOM 906 CB ILE A 518 -1.328 5.148 9.610 1.00 20.46 C ATOM 907 CG1 ILE A 518 0.014 4.592 9.139 1.00 17.66 C ATOM 908 CG2 ILE A 518 -1.547 6.555 9.084 1.00 24.78 C ATOM 909 CD1 ILE A 518 0.043 4.317 7.616 1.00 19.11 C ATOM 910 H ILE A 518 0.314 6.455 11.222 1.00 0.00 H ATOM 911 N LEU A 519 -0.122 3.502 12.440 1.00 19.78 N ATOM 912 CA LEU A 519 0.228 2.158 12.911 1.00 20.86 C ATOM 913 C LEU A 519 -0.657 1.715 14.077 1.00 19.73 C ATOM 914 O LEU A 519 -1.190 2.559 14.806 1.00 21.04 O ATOM 915 CB LEU A 519 1.700 2.106 13.336 1.00 19.99 C ATOM 916 CG LEU A 519 2.731 2.630 12.341 1.00 19.19 C ATOM 917 CD1 LEU A 519 4.129 2.503 12.921 1.00 22.96 C ATOM 918 CD2 LEU A 519 2.644 1.893 11.003 1.00 19.78 C ATOM 919 H LEU A 519 0.464 4.311 12.730 1.00 0.00 H ATOM 920 N PRO A 520 -0.810 0.391 14.259 1.00 20.56 N ATOM 921 CA PRO A 520 -1.637 -0.158 15.339 1.00 22.86 C ATOM 922 C PRO A 520 -0.933 -0.116 16.694 1.00 24.96 C ATOM 923 O PRO A 520 -1.579 -0.287 17.730 1.00 26.75 O ATOM 924 CB PRO A 520 -1.877 -1.602 14.895 1.00 27.14 C ATOM 925 CG PRO A 520 -0.676 -1.933 14.063 1.00 21.66 C ATOM 926 CD PRO A 520 -0.398 -0.654 13.303 1.00 21.24 C ATOM 927 N CYS A 521 0.379 0.102 16.674 1.00 22.08 N ATOM 928 CA CYS A 521 1.167 0.201 17.903 1.00 24.67 C ATOM 929 C CYS A 521 2.453 0.957 17.619 1.00 21.03 C ATOM 930 O CYS A 521 2.824 1.162 16.457 1.00 22.43 O ATOM 931 CB CYS A 521 1.485 -1.188 18.470 1.00 28.06 C ATOM 932 SG CYS A 521 2.566 -2.198 17.404 1.00 28.90 S ATOM 933 H CYS A 521 0.859 0.205 15.757 1.00 0.00 H ATOM 934 N LEU A 522 3.128 1.370 18.683 1.00 19.73 N ATOM 935 CA LEU A 522 4.430 2.005 18.566 1.00 22.17 C ATOM 936 C LEU A 522 5.501 1.034 18.100 1.00 22.23 C ATOM 937 O LEU A 522 5.382 -0.181 18.285 1.00 26.85 O ATOM 938 CB LEU A 522 4.853 2.599 19.906 1.00 20.71 C ATOM 939 CG LEU A 522 3.993 3.729 20.466 1.00 23.50 C ATOM 940 CD1 LEU A 522 4.493 4.145 21.837 1.00 23.06 C ATOM 941 CD2 LEU A 522 4.014 4.896 19.491 1.00 22.63 C ATOM 942 H LEU A 522 2.714 1.236 19.628 1.00 0.00 H ATOM 943 N LEU A 523 6.557 1.587 17.518 1.00 20.30 N ATOM 944 CA LEU A 523 7.774 0.836 17.233 1.00 20.39 C ATOM 945 C LEU A 523 8.587 0.731 18.518 1.00 28.34 C ATOM 946 O LEU A 523 9.217 1.706 18.935 1.00 30.36 O ATOM 947 CB LEU A 523 8.589 1.521 16.141 1.00 22.69 C ATOM 948 CG LEU A 523 7.844 1.779 14.832 1.00 22.55 C ATOM 949 CD1 LEU A 523 8.792 2.375 13.803 1.00 24.31 C ATOM 950 CD2 LEU A 523 7.224 0.482 14.330 1.00 22.25 C ATOM 951 H LEU A 523 6.515 2.592 17.256 1.00 0.00 H ATOM 952 N ARG A 524 8.569 -0.442 19.142 1.00 24.52 N ATOM 953 CA ARG A 524 9.138 -0.599 20.486 1.00 25.64 C ATOM 954 C ARG A 524 10.523 -1.219 20.511 1.00 35.65 C ATOM 955 O ARG A 524 11.388 -0.811 21.296 1.00 42.91 O ATOM 956 CB ARG A 524 8.220 -1.456 21.363 1.00 30.96 C ATOM 957 CG ARG A 524 6.953 -0.770 21.819 1.00 36.36 C ATOM 958 CD ARG A 524 6.460 -1.393 23.126 1.00 38.28 C ATOM 959 NE ARG A 524 6.290 -2.845 23.027 1.00 43.83 N ATOM 960 CZ ARG A 524 5.932 -3.631 24.038 1.00 45.12 C ATOM 961 NH1 ARG A 524 5.714 -3.111 25.241 1.00 41.85 N ATOM 962 NH2 ARG A 524 5.801 -4.941 23.855 1.00 40.43 N ATOM 963 HE ARG A 524 6.461 -3.291 22.103 1.00 0.00 H ATOM 964 HH12 ARG A 524 5.434 -3.727 26.031 1.00 0.00 H ATOM 965 HH11 ARG A 524 5.823 -2.088 25.393 1.00 0.00 H ATOM 966 HH22 ARG A 524 5.521 -5.552 24.649 1.00 0.00 H ATOM 967 HH21 ARG A 524 5.979 -5.355 22.918 1.00 0.00 H ATOM 968 H ARG A 524 8.144 -1.265 18.669 1.00 0.00 H ATOM 969 N HIS A 525 10.715 -2.252 19.702 1.00 31.66 N ATOM 970 CA HIS A 525 11.955 -3.018 19.739 1.00 35.36 C ATOM 971 C HIS A 525 12.473 -3.257 18.335 1.00 39.16 C ATOM 972 O HIS A 525 11.721 -3.682 17.468 1.00 34.06 O ATOM 973 CB HIS A 525 11.754 -4.366 20.438 1.00 41.52 C ATOM 974 CG HIS A 525 11.256 -4.256 21.846 1.00 52.17 C ATOM 975 ND1 HIS A 525 9.928 -4.413 22.181 1.00 55.37 N ATOM 976 CD2 HIS A 525 11.909 -4.003 23.004 1.00 52.94 C ATOM 977 CE1 HIS A 525 9.785 -4.267 23.487 1.00 53.58 C ATOM 978 NE2 HIS A 525 10.972 -4.016 24.010 1.00 55.67 N ATOM 979 H HIS A 525 9.968 -2.520 19.030 1.00 0.00 H ATOM 980 N CYS A 526 13.759 -2.997 18.123 1.00 42.52 N ATOM 981 CA CYS A 526 14.393 -3.269 16.840 1.00 41.19 C ATOM 982 C CYS A 526 14.642 -4.761 16.654 1.00 42.82 C ATOM 983 O CYS A 526 15.195 -5.426 17.533 1.00 44.53 O ATOM 984 CB CYS A 526 15.718 -2.508 16.715 1.00 42.21 C ATOM 985 SG CYS A 526 15.581 -0.710 16.836 1.00 85.19 S ATOM 986 H CYS A 526 14.327 -2.589 18.893 1.00 0.00 H ATOM 987 N CYS A 527 14.217 -5.286 15.511 1.00 41.42 N ATOM 988 CA CYS A 527 14.635 -6.612 15.088 1.00 45.47 C ATOM 989 C CYS A 527 16.037 -6.474 14.511 1.00 51.28 C ATOM 990 O CYS A 527 16.236 -5.791 13.506 1.00 50.26 O ATOM 991 CB CYS A 527 13.663 -7.196 14.062 1.00 42.68 C ATOM 992 SG CYS A 527 13.864 -8.951 13.737 1.00 53.89 S ATOM 993 H CYS A 527 13.572 -4.738 14.907 1.00 0.00 H ATOM 994 N THR A 528 17.011 -7.097 15.164 1.00 60.87 N ATOM 995 CA THR A 528 18.410 -6.924 14.789 1.00 64.29 C ATOM 996 C THR A 528 18.787 -7.763 13.571 1.00 62.27 C ATOM 997 O THR A 528 18.397 -8.924 13.459 1.00 63.92 O ATOM 998 CB THR A 528 19.342 -7.283 15.958 1.00 69.62 C ATOM 999 OG1 THR A 528 19.077 -8.623 16.389 1.00 72.20 O ATOM 1000 CG2 THR A 528 19.117 -6.329 17.121 1.00 70.38 C ATOM 1001 HG1 THR A 528 19.235 -9.248 15.637 1.00 0.00 H ATOM 1002 H THR A 528 16.771 -7.722 15.960 1.00 0.00 H TER 1003 THR A 528 HETATM 1004 O HOH 1 14.967 -8.961 19.618 1.00 53.19 O HETATM 1005 O HOH 2 -2.991 4.082 14.761 1.00 44.45 O HETATM 1006 O HOH 3 4.470 -9.160 -0.985 1.00 34.05 O HETATM 1007 O HOH 4 12.119 -6.659 -6.634 1.00 47.45 O HETATM 1008 O HOH 5 13.807 12.296 13.907 1.00 45.30 O HETATM 1009 O HOH 6 -2.412 9.552 7.776 1.00 47.66 O HETATM 1010 O HOH 7 1.384 16.469 7.254 1.00 44.91 O HETATM 1011 O HOH 8 -4.442 7.471 0.508 1.00 53.49 O HETATM 1012 O HOH 9 -2.437 1.497 9.117 1.00 26.04 O HETATM 1013 O HOH 10 -2.178 -7.584 14.688 1.00 44.21 O HETATM 1014 O HOH 11 2.490 -14.562 13.207 1.00 42.11 O HETATM 1015 O HOH 12 4.406 -2.298 -7.655 1.00 49.36 O HETATM 1016 O HOH 13 6.542 4.541 -6.559 1.00 49.07 O HETATM 1017 O HOH 14 -0.477 -3.047 21.918 1.00 32.25 O HETATM 1018 O HOH 15 1.788 7.503 10.542 1.00 22.99 O HETATM 1019 O HOH 16 5.183 8.923 -0.792 1.00 38.35 O HETATM 1020 O HOH 17 2.891 -2.620 -4.675 1.00 29.08 O HETATM 1021 O HOH 18 8.576 2.934 21.523 1.00 31.36 O HETATM 1022 O HOH 19 17.885 -11.938 6.792 1.00 58.85 O HETATM 1023 O HOH 20 -2.563 7.436 15.966 1.00 39.41 O HETATM 1024 O HOH 21 12.028 8.548 18.933 1.00 32.45 O HETATM 1025 O HOH 22 14.492 0.690 -1.956 1.00 36.03 O HETATM 1026 O HOH 23 1.730 -10.716 3.872 1.00 55.80 O HETATM 1027 O HOH 24 9.031 -9.900 -0.397 1.00 35.62 O HETATM 1028 O HOH 25 14.850 14.031 1.869 1.00 47.25 O HETATM 1029 O HOH 26 11.585 16.465 2.187 1.00 39.73 O HETATM 1030 O HOH 27 6.803 17.758 1.276 1.00 37.54 O HETATM 1031 O HOH 28 11.181 11.998 13.796 1.00 31.79 O HETATM 1032 O HOH 29 15.352 -2.236 -3.981 1.00 55.36 O HETATM 1033 O HOH 30 4.097 8.510 6.521 1.00 22.10 O HETATM 1034 O HOH 31 3.074 -9.369 19.628 1.00 29.30 O HETATM 1035 O HOH 32 4.680 7.655 23.408 1.00 27.64 O HETATM 1036 O HOH 33 17.018 6.590 16.858 1.00 46.23 O HETATM 1037 O HOH 34 1.860 7.719 7.798 1.00 21.60 O HETATM 1038 O HOH 35 3.606 -6.723 -7.587 1.00 46.71 O HETATM 1039 O HOH 36 0.595 10.015 10.878 1.00 28.88 O HETATM 1040 O HOH 37 2.091 -12.882 10.752 1.00 40.28 O HETATM 1041 O HOH 38 -3.825 1.444 17.983 1.00 50.59 O HETATM 1042 O HOH 39 2.611 11.364 -1.796 1.00 51.30 O HETATM 1043 O HOH 40 4.430 -12.636 21.970 1.00 57.15 O HETATM 1044 O HOH 41 2.642 6.931 0.500 1.00 24.51 O HETATM 1045 O HOH 42 11.676 -15.609 0.617 1.00 59.04 O HETATM 1046 O HOH 43 -3.520 0.766 12.560 1.00 42.21 O HETATM 1047 O HOH 44 -0.274 -15.380 15.265 1.00 68.97 O HETATM 1048 O HOH 45 0.321 7.724 19.511 1.00 30.02 O HETATM 1049 O HOH 46 0.291 6.242 -4.446 1.00 37.99 O HETATM 1050 O HOH 47 14.359 12.261 17.219 1.00 50.64 O HETATM 1051 O HOH 48 2.073 -7.763 -1.089 1.00 30.72 O HETATM 1052 O HOH 49 -0.189 9.361 16.605 1.00 31.34 O HETATM 1053 O HOH 50 8.170 -16.941 18.185 1.00 61.38 O HETATM 1054 O HOH 51 15.323 -12.393 1.728 1.00 42.69 O HETATM 1055 O HOH 52 -2.945 -1.999 9.905 1.00 51.08 O HETATM 1056 O HOH 53 16.400 4.500 15.706 1.00 62.11 O HETATM 1057 O HOH 54 14.061 -4.987 -3.100 1.00 42.41 O HETATM 1058 O HOH 55 8.431 -13.475 0.590 1.00 36.13 O HETATM 1059 O HOH 56 8.340 -16.762 7.460 1.00 57.41 O HETATM 1060 O HOH 57 16.692 12.379 10.072 1.00 45.48 O HETATM 1061 O HOH 58 4.155 15.619 -3.504 1.00 57.41 O HETATM 1062 O HOH 59 13.796 -6.692 -0.764 1.00 39.37 O HETATM 1063 O HOH 60 -0.464 14.559 0.058 1.00 44.76 O HETATM 1064 O HOH 61 14.262 16.459 8.651 1.00 46.72 O HETATM 1065 O HOH 62 5.017 -0.333 26.384 1.00 48.54 O HETATM 1066 O HOH 63 2.343 17.927 -2.595 1.00 55.51 O HETATM 1067 O HOH 64 -4.766 3.963 10.460 1.00 50.06 O HETATM 1068 O HOH 65 -1.277 16.896 6.149 1.00 61.77 O HETATM 1069 O HOH 66 -1.193 13.552 9.097 1.00 64.09 O HETATM 1070 O HOH 67 9.979 -17.953 12.396 1.00 48.27 O HETATM 1071 O HOH 68 13.203 -9.432 21.119 1.00 47.39 O HETATM 1072 O HOH 69 -5.128 -8.912 12.054 1.00 63.58 O HETATM 1073 O HOH 70 9.961 17.612 0.904 1.00 48.16 O HETATM 1074 O HOH 71 0.356 15.148 9.911 1.00 69.20 O HETATM 1075 O HOH 72 -4.514 8.059 11.781 1.00 51.16 O HETATM 1076 O HOH 73 -2.037 9.540 11.331 1.00 38.60 O HETATM 1077 O HOH 74 17.702 19.639 -4.139 1.00 53.40 O HETATM 1078 O HOH 75 6.774 5.606 24.218 1.00 52.40 O HETATM 1079 O HOH 76 12.039 7.310 21.554 1.00 37.01 O HETATM 1080 O HOH 77 -4.528 9.471 5.176 1.00 60.45 O HETATM 1081 O HOH 78 7.321 2.355 23.832 1.00 54.68 O HETATM 1082 O HOH 79 0.307 11.452 13.289 1.00 49.76 O HETATM 1083 O HOH 80 10.197 20.269 1.973 1.00 59.07 O HETATM 1084 O HOH 81 -5.400 3.518 -3.026 1.00 32.75 O HETATM 1085 O HOH 82 0.304 -6.912 4.286 1.00 39.85 O HETATM 1086 O HOH 83 -5.059 5.359 8.676 1.00 40.55 O HETATM 1087 O HOH 84 -3.722 -4.524 8.908 1.00 52.50 O HETATM 1088 O HOH 85 -10.112 -3.656 3.222 1.00 57.73 O HETATM 1089 O HOH 86 -0.001 -2.231 -4.132 1.00 31.96 O HETATM 1090 O HOH 87 -3.937 -8.154 -1.278 1.00 35.95 O HETATM 1091 O HOH 88 -2.626 -0.540 2.245 1.00 24.18 O HETATM 1092 O HOH 89 -4.243 -0.255 9.910 1.00 38.54 O HETATM 1093 O HOH 90 -0.081 -8.745 7.127 1.00 45.21 O HETATM 1094 O HOH 91 -4.245 -4.907 1.348 1.00 47.56 O HETATM 1095 O HOH 92 -2.012 3.851 -4.303 1.00 36.49 O HETATM 1096 N SER A 93 -4.696 1.603 1.397 1.00 -0.26 N HETATM 1097 CA SER A 93 -4.400 2.449 0.245 1.00 0.15 C HETATM 1098 C SER A 93 -3.493 1.748 -0.769 1.00 0.21 C HETATM 1099 O SER A 93 -3.419 2.157 -1.931 1.00 -0.39 O HETATM 1100 N SER A 93 -2.811 0.696 -0.329 1.00 -0.26 N HETATM 1101 CA SER A 93 -1.952 -0.092 -1.212 1.00 0.14 C HETATM 1102 C SER A 93 -2.318 -1.567 -1.145 1.00 0.21 C HETATM 1103 O SER A 93 -2.230 -2.185 -0.084 1.00 -0.39 O HETATM 1104 N SER A 93 -2.728 -2.134 -2.279 1.00 -0.26 N HETATM 1105 CA SER A 93 -3.043 -3.556 -2.341 1.00 0.13 C HETATM 1106 C SER A 93 -1.848 -4.382 -1.903 1.00 0.20 C HETATM 1107 O SER A 93 -0.754 -4.216 -2.431 1.00 -0.39 O HETATM 1108 N SER A 93 -2.049 -5.260 -0.923 1.00 -0.27 N HETATM 1109 CA SER A 93 -0.983 -6.145 -0.486 1.00 0.12 C HETATM 1110 C SER A 93 -0.159 -5.604 0.671 1.00 0.20 C HETATM 1111 O SER A 93 0.868 -6.190 1.039 1.00 -0.39 O HETATM 1112 N SER A 93 -0.598 -4.481 1.237 1.00 -0.26 N HETATM 1113 CA SER A 93 0.051 -3.884 2.407 1.00 0.14 C HETATM 1114 C SER A 93 -1.002 -3.480 3.418 1.00 0.21 C HETATM 1115 O SER A 93 -2.187 -3.415 3.086 1.00 -0.39 O HETATM 1116 N SER A 93 -0.572 -3.210 4.650 1.00 -0.26 N HETATM 1117 CA SER A 93 -1.503 -2.960 5.733 1.00 0.14 C HETATM 1118 C SER A 93 -1.773 -1.483 5.988 1.00 0.21 C HETATM 1119 O SER A 93 -2.526 -1.151 6.917 1.00 -0.39 O HETATM 1120 N SER A 93 -1.189 -0.605 5.168 1.00 -0.26 N HETATM 1121 CA SER A 93 -1.379 0.841 5.341 1.00 0.15 C HETATM 1122 C SER A 93 -2.853 1.219 5.350 1.00 0.21 C HETATM 1123 O SER A 93 -3.547 1.009 4.355 1.00 -0.39 O HETATM 1124 N SER A 93 -3.327 1.765 6.470 1.00 -0.26 N HETATM 1125 CA SER A 93 -4.710 2.226 6.583 1.00 0.15 C HETATM 1126 C SER A 93 -5.729 1.147 6.200 1.00 0.21 C HETATM 1127 O SER A 93 -6.759 1.428 5.586 1.00 -0.39 O HETATM 1128 N SER A 93 -5.420 -0.092 6.562 1.00 -0.26 N HETATM 1129 CA SER A 93 -6.345 -1.206 6.419 1.00 0.14 C HETATM 1130 C SER A 93 -7.315 -1.177 7.603 1.00 0.21 C HETATM 1131 O SER A 93 -6.912 -0.841 8.715 1.00 -0.39 O HETATM 1132 N SER A 93 -8.602 -1.501 7.376 1.00 -0.25 N HETATM 1133 CA SER A 93 -9.237 -1.925 6.126 1.00 0.13 C HETATM 1134 C SER A 93 -9.677 -0.761 5.244 1.00 0.20 C HETATM 1135 O SER A 93 -9.478 0.392 5.618 1.00 -0.39 O HETATM 1136 N01 SER A 93 -9.349 -1.205 4.045 1.00 -0.26 N HETATM 1137 C02 SER A 93 -9.199 -0.267 2.984 1.00 0.14 C HETATM 1138 C03 SER A 93 -10.542 0.338 2.635 1.00 0.20 C HETATM 1139 O04 SER A 93 -11.353 -0.307 2.002 1.00 -0.39 O HETATM 1140 N05 SER A 93 -10.770 1.582 3.049 1.00 -0.30 N HETATM 1141 H72 SER A 93 -11.642 2.026 2.843 1.00 0.18 H HETATM 1142 H73 SER A 93 -10.069 2.073 3.566 1.00 0.18 H HETATM 1143 C06 SER A 93 -8.604 -0.969 1.784 1.00 0.04 C HETATM 1144 S07 SER A 93 -6.918 -1.538 2.118 1.00 -0.13 S HETATM 1145 C08 SER A 93 -6.133 0.064 2.472 1.00 0.08 C HETATM 1146 C09 SER A 93 -5.616 0.668 1.249 1.00 0.19 C HETATM 1147 O10 SER A 93 -6.134 0.422 0.167 1.00 -0.40 O HETATM 1148 H76 SER A 93 -5.303 -0.089 3.178 1.00 0.06 H HETATM 1149 H77 SER A 93 -6.877 0.739 2.921 1.00 0.06 H HETATM 1150 H74 SER A 93 -8.584 -0.270 0.935 1.00 0.04 H HETATM 1151 H75 SER A 93 -9.231 -1.837 1.530 1.00 0.04 H HETATM 1152 H71 SER A 93 -8.519 0.536 3.304 1.00 0.08 H HETATM 1153 H70 SER A 93 -9.208 -2.182 3.885 1.00 0.19 H HETATM 1154 CB SER A 93 -10.450 -2.712 6.617 1.00 -0.01 C HETATM 1155 CG SER A 93 -10.852 -1.981 7.849 1.00 -0.03 C HETATM 1156 CD SER A 93 -9.568 -1.495 8.490 1.00 0.04 C HETATM 1157 H60 SER A 93 -9.692 -0.481 8.898 1.00 0.05 H HETATM 1158 H61 SER A 93 -9.247 -2.176 9.292 1.00 0.05 H HETATM 1159 H58 SER A 93 -11.389 -2.654 8.534 1.00 0.03 H HETATM 1160 H59 SER A 93 -11.497 -1.128 7.593 1.00 0.03 H HETATM 1161 H56 SER A 93 -10.178 -3.753 6.847 1.00 0.03 H HETATM 1162 H57 SER A 93 -11.257 -2.700 5.870 1.00 0.03 H HETATM 1163 H55 SER A 93 -8.556 -2.569 5.550 1.00 0.08 H HETATM 1164 CB SER A 93 -5.556 -2.521 6.358 1.00 0.02 C HETATM 1165 CG SER A 93 -6.409 -3.751 6.280 1.00 -0.04 C HETATM 1166 CD1 SER A 93 -6.917 -4.182 5.067 1.00 -0.06 C HETATM 1167 CE1 SER A 93 -7.700 -5.316 4.992 1.00 -0.07 C HETATM 1168 CZ SER A 93 -7.980 -6.036 6.137 1.00 -0.07 C HETATM 1169 CE2 SER A 93 -7.476 -5.620 7.353 1.00 -0.07 C HETATM 1170 CD2 SER A 93 -6.692 -4.485 7.420 1.00 -0.06 C HETATM 1171 H51 SER A 93 -6.293 -4.165 8.376 1.00 0.06 H HETATM 1172 H53 SER A 93 -7.695 -6.183 8.253 1.00 0.06 H HETATM 1173 H54 SER A 93 -8.595 -6.927 6.081 1.00 0.06 H HETATM 1174 H52 SER A 93 -8.095 -5.641 4.036 1.00 0.06 H HETATM 1175 H50 SER A 93 -6.697 -3.622 4.165 1.00 0.06 H HETATM 1176 H48 SER A 93 -4.933 -2.591 7.262 1.00 0.05 H HETATM 1177 H49 SER A 93 -4.910 -2.494 5.468 1.00 0.05 H HETATM 1178 H47 SER A 93 -6.915 -1.092 5.486 1.00 0.08 H HETATM 1179 H46 SER A 93 -4.515 -0.267 6.949 1.00 0.19 H HETATM 1180 CB SER A 93 -4.914 3.485 5.727 1.00 0.09 C HETATM 1181 OG SER A 93 -4.174 4.569 6.273 1.00 -0.38 O HETATM 1182 C1 SER A 93 -3.920 5.502 5.361 1.00 0.05 C HETATM 1183 C2 SER A 93 -3.943 5.339 3.896 1.00 -0.03 C HETATM 1184 C3 SER A 93 -2.890 5.547 3.139 1.00 -0.03 C HETATM 1185 C4 SER A 93 -2.331 4.502 2.257 1.00 0.05 C HETATM 1186 OG SER A 93 -2.598 3.474 1.467 1.00 -0.38 O HETATM 1187 CB SER A 93 -3.755 3.751 0.707 1.00 0.09 C HETATM 1188 H3 SER A 93 -4.471 4.313 1.325 1.00 0.06 H HETATM 1189 H4 SER A 93 -3.478 4.352 -0.172 1.00 0.06 H HETATM 1190 H68 SER A 93 -1.767 5.134 1.555 1.00 0.06 H HETATM 1191 H69 SER A 93 -1.634 4.021 2.958 1.00 0.06 H HETATM 1192 H66 SER A 93 -2.077 5.840 3.819 1.00 0.03 H HETATM 1193 H67 SER A 93 -3.145 6.394 2.486 1.00 0.03 H HETATM 1194 H64 SER A 93 -4.722 6.022 3.527 1.00 0.03 H HETATM 1195 H65 SER A 93 -4.249 4.299 3.711 1.00 0.03 H HETATM 1196 H62 SER A 93 -2.904 5.854 5.591 1.00 0.06 H HETATM 1197 H63 SER A 93 -4.642 6.305 5.568 1.00 0.06 H HETATM 1198 H44 SER A 93 -5.983 3.745 5.710 1.00 0.06 H HETATM 1199 H45 SER A 93 -4.569 3.288 4.701 1.00 0.06 H HETATM 1200 H43 SER A 93 -4.888 2.494 7.635 1.00 0.08 H HETATM 1201 H42 SER A 93 -2.718 1.862 7.257 1.00 0.19 H HETATM 1202 CB SER A 93 -0.691 1.631 4.225 1.00 0.08 C HETATM 1203 CG SER A 93 0.765 1.267 4.041 1.00 0.18 C HETATM 1204 OD1 SER A 93 1.118 0.095 3.866 1.00 -0.40 O HETATM 1205 ND2 SER A 93 1.621 2.283 4.038 1.00 -0.30 N HETATM 1206 H40 SER A 93 2.599 2.112 3.921 1.00 0.18 H HETATM 1207 H41 SER A 93 1.287 3.219 4.153 1.00 0.18 H HETATM 1208 H38 SER A 93 -0.755 2.702 4.466 1.00 0.06 H HETATM 1209 H39 SER A 93 -1.221 1.435 3.281 1.00 0.06 H HETATM 1210 H37 SER A 93 -0.935 1.130 6.305 1.00 0.08 H HETATM 1211 H36 SER A 93 -0.612 -0.938 4.423 1.00 0.19 H HETATM 1212 CB SER A 93 -0.989 -3.635 7.012 1.00 0.04 C HETATM 1213 CG SER A 93 -1.046 -5.152 6.922 1.00 0.04 C HETATM 1214 OD1 SER A 93 -2.155 -5.707 7.063 1.00 -0.57 O HETATM 1215 OD2 SER A 93 0.005 -5.791 6.699 1.00 -0.57 O HETATM 1216 H34 SER A 93 -1.608 -3.307 7.860 1.00 0.05 H HETATM 1217 H35 SER A 93 0.054 -3.329 7.180 1.00 0.05 H HETATM 1218 H33 SER A 93 -2.461 -3.426 5.459 1.00 0.08 H HETATM 1219 H32 SER A 93 0.411 -3.179 4.831 1.00 0.19 H HETATM 1220 CB SER A 93 0.903 -2.678 2.001 1.00 0.02 C HETATM 1221 CG SER A 93 1.979 -3.047 1.014 1.00 -0.05 C HETATM 1222 CD1 SER A 93 3.233 -3.469 1.447 1.00 -0.07 C HETATM 1223 CE1 SER A 93 4.219 -3.834 0.537 1.00 -0.04 C HETATM 1224 CZ SER A 93 3.953 -3.772 -0.821 1.00 0.08 C HETATM 1225 CE2 SER A 93 2.715 -3.365 -1.270 1.00 -0.04 C HETATM 1226 CD2 SER A 93 1.736 -3.005 -0.361 1.00 -0.07 C HETATM 1227 H28 SER A 93 0.765 -2.685 -0.722 1.00 0.05 H HETATM 1228 H30 SER A 93 2.509 -3.327 -2.333 1.00 0.05 H HETATM 1229 OH SER A 93 4.922 -4.134 -1.734 1.00 -0.34 O HETATM 1230 H31 SER A 93 5.712 -4.388 -1.272 1.00 0.25 H HETATM 1231 H29 SER A 93 5.190 -4.165 0.888 1.00 0.05 H HETATM 1232 H27 SER A 93 3.444 -3.514 2.509 1.00 0.05 H HETATM 1233 H25 SER A 93 1.377 -2.260 2.901 1.00 0.05 H HETATM 1234 H26 SER A 93 0.249 -1.920 1.545 1.00 0.05 H HETATM 1235 H24 SER A 93 0.710 -4.636 2.866 1.00 0.08 H HETATM 1236 H23 SER A 93 -1.401 -4.028 0.849 1.00 0.19 H HETATM 1237 H21 SER A 93 -0.309 -6.320 -1.337 1.00 0.08 H HETATM 1238 H22 SER A 93 -1.433 -7.099 -0.173 1.00 0.08 H HETATM 1239 H20 SER A 93 -2.945 -5.311 -0.482 1.00 0.19 H HETATM 1240 CB SER A 93 -3.464 -3.952 -3.763 1.00 -0.00 C HETATM 1241 CG SER A 93 -3.814 -5.439 -3.939 1.00 0.00 C HETATM 1242 CD SER A 93 -2.600 -6.323 -4.163 1.00 0.04 C HETATM 1243 OE1 SER A 93 -1.910 -6.148 -5.190 1.00 -0.57 O HETATM 1244 OE2 SER A 93 -2.336 -7.203 -3.318 1.00 -0.57 O HETATM 1245 H18 SER A 93 -4.483 -5.539 -4.806 1.00 0.04 H HETATM 1246 H19 SER A 93 -4.334 -5.784 -3.033 1.00 0.04 H HETATM 1247 H16 SER A 93 -2.635 -3.712 -4.445 1.00 0.03 H HETATM 1248 H17 SER A 93 -4.348 -3.357 -4.037 1.00 0.03 H HETATM 1249 H15 SER A 93 -3.881 -3.759 -1.657 1.00 0.08 H HETATM 1250 H14 SER A 93 -2.821 -1.574 -3.102 1.00 0.19 H HETATM 1251 CB SER A 93 -0.475 0.090 -0.841 1.00 0.02 C HETATM 1252 CG SER A 93 -0.047 1.524 -0.735 1.00 -0.04 C HETATM 1253 CD1 SER A 93 0.035 2.323 -1.862 1.00 -0.06 C HETATM 1254 CE1 SER A 93 0.432 3.646 -1.772 1.00 -0.07 C HETATM 1255 CZ SER A 93 0.761 4.185 -0.538 1.00 -0.07 C HETATM 1256 CE2 SER A 93 0.692 3.392 0.598 1.00 -0.07 C HETATM 1257 CD2 SER A 93 0.291 2.069 0.496 1.00 -0.06 C HETATM 1258 H10 SER A 93 0.241 1.454 1.387 1.00 0.06 H HETATM 1259 H12 SER A 93 0.952 3.807 1.565 1.00 0.06 H HETATM 1260 H13 SER A 93 1.071 5.221 -0.461 1.00 0.06 H HETATM 1261 H11 SER A 93 0.485 4.259 -2.664 1.00 0.06 H HETATM 1262 H9 SER A 93 -0.216 1.906 -2.831 1.00 0.06 H HETATM 1263 H7 SER A 93 0.139 -0.398 -1.612 1.00 0.05 H HETATM 1264 H8 SER A 93 -0.299 -0.397 0.130 1.00 0.05 H HETATM 1265 H6 SER A 93 -2.100 0.260 -2.244 1.00 0.08 H HETATM 1266 H5 SER A 93 -2.887 0.436 0.633 1.00 0.19 H HETATM 1267 H2 SER A 93 -5.350 2.688 -0.255 1.00 0.08 H HETATM 1268 H1 SER A 93 -4.219 1.727 2.267 1.00 0.19 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1096 1097 1146 1268 CONECT 1097 1096 1098 1187 1267 CONECT 1098 1097 1099 1100 CONECT 1099 1098 CONECT 1100 1098 1101 1266 CONECT 1101 1100 1102 1251 1265 CONECT 1102 1101 1103 1104 CONECT 1103 1102 CONECT 1104 1102 1105 1250 CONECT 1105 1104 1106 1240 1249 CONECT 1106 1105 1107 1108 CONECT 1107 1106 CONECT 1108 1106 1109 1239 CONECT 1109 1108 1110 1237 1238 CONECT 1110 1109 1111 1112 CONECT 1111 1110 CONECT 1112 1110 1113 1236 CONECT 1113 1112 1114 1220 1235 CONECT 1114 1113 1115 1116 CONECT 1115 1114 CONECT 1116 1114 1117 1219 CONECT 1117 1116 1118 1212 1218 CONECT 1118 1117 1119 1120 CONECT 1119 1118 CONECT 1120 1118 1121 1211 CONECT 1121 1120 1122 1202 1210 CONECT 1122 1121 1123 1124 CONECT 1123 1122 CONECT 1124 1122 1125 1201 CONECT 1125 1124 1126 1180 1200 CONECT 1126 1125 1127 1128 CONECT 1127 1126 CONECT 1128 1126 1129 1179 CONECT 1129 1128 1130 1164 1178 CONECT 1130 1129 1131 1132 CONECT 1131 1130 CONECT 1132 1130 1133 1156 CONECT 1133 1132 1134 1154 1163 CONECT 1134 1133 1135 1136 CONECT 1135 1134 CONECT 1136 1134 1137 1153 CONECT 1137 1136 1138 1143 1152 CONECT 1138 1137 1139 1140 CONECT 1139 1138 CONECT 1140 1138 1141 1142 CONECT 1141 1140 CONECT 1142 1140 CONECT 1143 1137 1144 1150 1151 CONECT 1144 1143 1145 CONECT 1145 1144 1146 1148 1149 CONECT 1146 1096 1145 1147 CONECT 1147 1146 CONECT 1148 1145 CONECT 1149 1145 CONECT 1150 1143 CONECT 1151 1143 CONECT 1152 1137 CONECT 1153 1136 CONECT 1154 1133 1155 1161 1162 CONECT 1155 1154 1156 1159 1160 CONECT 1156 1132 1155 1157 1158 CONECT 1157 1156 CONECT 1158 1156 CONECT 1159 1155 CONECT 1160 1155 CONECT 1161 1154 CONECT 1162 1154 CONECT 1163 1133 CONECT 1164 1129 1165 1176 1177 CONECT 1165 1164 1166 1170 CONECT 1166 1165 1167 1175 CONECT 1167 1166 1168 1174 CONECT 1168 1167 1169 1173 CONECT 1169 1168 1170 1172 CONECT 1170 1165 1169 1171 CONECT 1171 1170 CONECT 1172 1169 CONECT 1173 1168 CONECT 1174 1167 CONECT 1175 1166 CONECT 1176 1164 CONECT 1177 1164 CONECT 1178 1129 CONECT 1179 1128 CONECT 1180 1125 1181 1198 1199 CONECT 1181 1180 1182 CONECT 1182 1181 1183 1196 1197 CONECT 1183 1182 1184 1194 1195 CONECT 1184 1183 1185 1192 1193 CONECT 1185 1184 1186 1190 1191 CONECT 1186 1185 1187 CONECT 1187 1097 1186 1188 1189 CONECT 1188 1187 CONECT 1189 1187 CONECT 1190 1185 CONECT 1191 1185 CONECT 1192 1184 CONECT 1193 1184 CONECT 1194 1183 CONECT 1195 1183 CONECT 1196 1182 CONECT 1197 1182 CONECT 1198 1180 CONECT 1199 1180 CONECT 1200 1125 CONECT 1201 1124 CONECT 1202 1121 1203 1208 1209 CONECT 1203 1202 1204 1205 CONECT 1204 1203 CONECT 1205 1203 1206 1207 CONECT 1206 1205 CONECT 1207 1205 CONECT 1208 1202 CONECT 1209 1202 CONECT 1210 1121 CONECT 1211 1120 CONECT 1212 1117 1213 1216 1217 CONECT 1213 1212 1214 1215 CONECT 1214 1213 CONECT 1215 1213 CONECT 1216 1212 CONECT 1217 1212 CONECT 1218 1117 CONECT 1219 1116 CONECT 1220 1113 1221 1233 1234 CONECT 1221 1220 1222 1226 CONECT 1222 1221 1223 1232 CONECT 1223 1222 1224 1231 CONECT 1224 1223 1225 1229 CONECT 1225 1224 1226 1228 CONECT 1226 1221 1225 1227 CONECT 1227 1226 CONECT 1228 1225 CONECT 1229 1224 1230 CONECT 1230 1229 CONECT 1231 1223 CONECT 1232 1222 CONECT 1233 1220 CONECT 1234 1220 CONECT 1235 1113 CONECT 1236 1112 CONECT 1237 1109 CONECT 1238 1109 CONECT 1239 1108 CONECT 1240 1105 1241 1247 1248 CONECT 1241 1240 1242 1245 1246 CONECT 1242 1241 1243 1244 CONECT 1243 1242 CONECT 1244 1242 CONECT 1245 1241 CONECT 1246 1241 CONECT 1247 1240 CONECT 1248 1240 CONECT 1249 1105 CONECT 1250 1104 CONECT 1251 1101 1252 1263 1264 CONECT 1252 1251 1253 1257 CONECT 1253 1252 1254 1262 CONECT 1254 1253 1255 1261 CONECT 1255 1254 1256 1260 CONECT 1256 1255 1257 1259 CONECT 1257 1252 1256 1258 CONECT 1258 1257 CONECT 1259 1256 CONECT 1260 1255 CONECT 1261 1254 CONECT 1262 1253 CONECT 1263 1251 CONECT 1264 1251 CONECT 1265 1101 CONECT 1266 1100 CONECT 1267 1097 CONECT 1268 1096 MASTER 0 0 0 0 0 0 0 0 1267 1 177 8 END
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12-mer
2pnx
RCSB PDB
PDBbind
12-mer
2pv2
RCSB PDB
PDBbind
12-mer
2pv3
RCSB PDB
PDBbind
12-mer
2qbx
RCSB PDB
PDBbind
12-mer
2qic
RCSB PDB
PDBbind
12-mer
2rol
RCSB PDB
PDBbind
12-mer
2v85
RCSB PDB
PDBbind
12-mer
2w10
RCSB PDB
PDBbind
12-mer
2w85
RCSB PDB
PDBbind
12-mer
2xzq
RCSB PDB
PDBbind
12-mer
2y06
RCSB PDB
PDBbind
12-mer
2y07
RCSB PDB
PDBbind
12-mer
2y1n
RCSB PDB
PDBbind
12-mer
2y36
RCSB PDB
PDBbind
12-mer
2ynr
RCSB PDB
PDBbind
12-mer
2yns
RCSB PDB
PDBbind
12-mer
3c6w
RCSB PDB
PDBbind
12-mer
3cs8
RCSB PDB
PDBbind
12-mer
3d32
RCSB PDB
PDBbind
12-mer
3dow
RCSB PDB
PDBbind
12-mer
3ds0
RCSB PDB
PDBbind
12-mer
3ds1
RCSB PDB
PDBbind
12-mer
3ds3
RCSB PDB
PDBbind
12-mer
3ds4
RCSB PDB
PDBbind
12-mer
3eqs
RCSB PDB
PDBbind
12-mer
3eqy
RCSB PDB
PDBbind
12-mer
3ggw
RCSB PDB
PDBbind
12-mer
3hs8
RCSB PDB
PDBbind
12-mer
3hs9
RCSB PDB
PDBbind
12-mer
3i5r
RCSB PDB
PDBbind
12-mer
3iqq
RCSB PDB
PDBbind
12-mer
3ivq
RCSB PDB
PDBbind
12-mer
3iwy
RCSB PDB
PDBbind
12-mer
3jzo
RCSB PDB
PDBbind
12-mer
3jzp
RCSB PDB
PDBbind
12-mer
3jzq
RCSB PDB
PDBbind
12-mer
3jzr
RCSB PDB
PDBbind
12-mer
3jzs
RCSB PDB
PDBbind
12-mer
3k26
RCSB PDB
PDBbind
12-mer
3l3x
RCSB PDB
PDBbind
12-mer
3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3poa
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tpx
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
5eeq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Growth factor receptor-bound protein 7 (Grb7-SH2)
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=1.5uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Sci Rep Vol. 6: pp. 27060-27060
Ligand Properties
Formula
C
6
2
H
7
9
N
1
3
O
2
0
S
Molecular Weight
1358.430
Exact Mass
1357.530
No. of atoms
175
No. of bonds
180
Polar Surface Area
536.08
LOGP Value
0.20 (
Computed with XLOGP3
)
-0.21 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 33
No. of Rings: 6
Canonical SMILES
OC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2COCCCCOC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC1=O)Cc1ccc(cc1)O)CC(=O)O)CC(=O)N)C(=O)N[C@H](C(=O)N1[C@H](C(=O)N[C@@H](CSCC(=O)N2)C(=O)N)CCC1)Cc1ccccc1
InChI String
InChI=1S/C62H79N13O20S/c63-48(77)27-41-57(88)73-45-31-95-23-8-7-22-94-30-44(67-50(79)33-96-32-46(53(64)84)74-61(92)47-14-9-21-75(47)62(93)43(72-60(45)91)26-35-12-5-2-6-13-35)59(90)69-40(24-34-10-3-1-4-11-34)56(87)68-38(19-20-51(80)81)54(85)65-29-49(78)66-39(25-36-15-17-37(76)18-16-36)55(86)71-42(28-52(82)83)58(89)70-41/h1-6,10-13,15-18,38-47,76H,7-9,14,19-33H2,(H2,63,77)(H2,64,84)(H,65,85)(H,66,78)(H,67,79)(H,68,87)(H,69,90)(H,70,89)(H,71,86)(H,72,91)(H,73,88)(H,74,92)(H,80,81)(H,82,83)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/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):
Q14451
Entrez Gene ID
NCBI Entrez Gene ID:
2886
ASD
Information of known allosteric effects of PDB entries
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