Browse entries in the PDBbind-CN Database
HEADER 5F6D_COMPLEX COMPND 5F6D_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 156 SER GLY ILE ALA LEU SER ARG LEU ALA GLN GLU ARG LYS SEQRES 2 A 156 ALA TRP ARG LYS ASP HIS PRO PHE GLY PHE VAL ALA VAL SEQRES 3 A 156 PRO THR LYS ASN PRO ASP GLY THR MET ASN LEU MET ASN SEQRES 4 A 156 TRP GLU CYS ALA ILE PRO GLY ALA ALA GLY THR PRO TRP SEQRES 5 A 156 ALA GLY GLY LEU PHE LYS LEU ARG MET LEU PHE LYS ASP SEQRES 6 A 156 ASP TYR PRO SER SER PRO PRO LYS CYS LYS PHE GLU PRO SEQRES 7 A 156 PRO LEU PHE HIS PRO ASN VAL TYR PRO SER GLY THR VAL SEQRES 8 A 156 CYS LEU SER ILE LEU GLU GLU ASP LYS ASP TRP ARG PRO SEQRES 9 A 156 ALA ILE THR ILE LYS GLN ILE LEU LEU GLY ILE GLN GLU SEQRES 10 A 156 LEU LEU ASN GLU PRO ASN ILE GLN ASP PRO ALA GLN ALA SEQRES 11 A 156 GLU ALA TYR THR ILE TYR CYS GLN ASN ARG VAL GLU TYR SEQRES 12 A 156 GLU LYS ARG VAL ARG ALA GLN ALA LYS LYS PHE ALA PRO HET UNN A 423 25 ATOM 1 N SER A 2 2.941 6.907 -42.894 1.00 44.22 N ATOM 2 CA SER A 2 3.764 5.702 -42.804 1.00 38.86 C ATOM 3 C SER A 2 2.913 4.443 -42.783 1.00 30.46 C ATOM 4 O SER A 2 2.183 4.202 -41.817 1.00 23.74 O ATOM 5 CB SER A 2 4.643 5.743 -41.555 1.00 34.97 C ATOM 6 OG SER A 2 5.217 4.466 -41.283 1.00 28.83 O ATOM 7 HG SER A 2 5.774 4.185 -42.052 1.00 0.00 H ATOM 8 HN3 SER A 2 2.305 6.953 -42.072 1.00 0.00 H ATOM 9 HN2 SER A 2 2.378 6.876 -43.768 1.00 0.00 H ATOM 10 HN1 SER A 2 3.556 7.745 -42.906 1.00 0.00 H ATOM 11 N GLY A 3 3.020 3.639 -43.841 1.00 26.98 N ATOM 12 CA GLY A 3 2.268 2.405 -43.941 1.00 24.92 C ATOM 13 C GLY A 3 2.549 1.459 -42.787 1.00 21.67 C ATOM 14 O GLY A 3 1.648 0.790 -42.283 1.00 20.45 O ATOM 15 H GLY A 3 3.661 3.905 -44.616 1.00 0.00 H ATOM 16 N ILE A 4 3.809 1.389 -42.378 1.00 18.68 N ATOM 17 CA ILE A 4 4.183 0.504 -41.282 1.00 15.52 C ATOM 18 C ILE A 4 3.505 0.947 -39.978 1.00 15.12 C ATOM 19 O ILE A 4 2.901 0.140 -39.284 1.00 16.58 O ATOM 20 CB ILE A 4 5.711 0.456 -41.113 1.00 15.01 C ATOM 21 CG1 ILE A 4 6.347 -0.215 -42.347 1.00 16.59 C ATOM 22 CG2 ILE A 4 6.091 -0.293 -39.845 1.00 17.89 C ATOM 23 CD1 ILE A 4 7.860 -0.165 -42.357 1.00 18.94 C ATOM 24 H ILE A 4 4.535 1.970 -42.843 1.00 0.00 H ATOM 25 N ALA A 5 3.582 2.238 -39.682 1.00 16.96 N ATOM 26 CA ALA A 5 2.987 2.753 -38.453 1.00 13.54 C ATOM 27 C ALA A 5 1.476 2.590 -38.490 1.00 15.07 C ATOM 28 O ALA A 5 0.884 2.095 -37.537 1.00 15.15 O ATOM 29 CB ALA A 5 3.363 4.207 -38.249 1.00 17.38 C ATOM 30 H ALA A 5 4.070 2.888 -40.331 1.00 0.00 H ATOM 31 N LEU A 6 0.853 2.991 -39.595 1.00 19.10 N ATOM 32 CA LEU A 6 -0.606 2.944 -39.682 1.00 18.83 C ATOM 33 C LEU A 6 -1.140 1.512 -39.616 1.00 20.92 C ATOM 34 O LEU A 6 -2.204 1.259 -39.043 1.00 19.30 O ATOM 35 CB LEU A 6 -1.081 3.653 -40.957 1.00 15.86 C ATOM 36 CG LEU A 6 -0.886 5.170 -40.927 1.00 23.21 C ATOM 37 CD1 LEU A 6 -1.166 5.781 -42.295 1.00 23.21 C ATOM 38 CD2 LEU A 6 -1.775 5.806 -39.866 1.00 23.74 C ATOM 39 H LEU A 6 1.407 3.340 -40.403 1.00 0.00 H ATOM 40 N SER A 7 -0.395 0.561 -40.171 1.00 17.41 N ATOM 41 CA SER A 7 -0.788 -0.841 -40.094 1.00 18.18 C ATOM 42 C SER A 7 -0.768 -1.345 -38.655 1.00 16.04 C ATOM 43 O SER A 7 -1.714 -1.976 -38.198 1.00 19.11 O ATOM 44 CB SER A 7 0.130 -1.705 -40.963 1.00 20.05 C ATOM 45 OG SER A 7 0.060 -1.305 -42.319 1.00 28.60 O ATOM 46 HG SER A 7 0.342 -0.359 -42.398 1.00 0.00 H ATOM 47 H SER A 7 0.481 0.821 -40.667 1.00 0.00 H ATOM 48 N ARG A 8 0.322 -1.059 -37.949 1.00 15.59 N ATOM 49 CA ARG A 8 0.433 -1.456 -36.556 1.00 14.58 C ATOM 50 C ARG A 8 -0.621 -0.758 -35.695 1.00 13.94 C ATOM 51 O ARG A 8 -1.214 -1.382 -34.830 1.00 15.05 O ATOM 52 CB ARG A 8 1.833 -1.155 -36.022 1.00 13.15 C ATOM 53 CG ARG A 8 1.970 -1.377 -34.517 1.00 15.92 C ATOM 54 CD ARG A 8 1.777 -2.835 -34.069 1.00 16.61 C ATOM 55 NE ARG A 8 2.009 -2.875 -32.629 1.00 17.58 N ATOM 56 CZ ARG A 8 3.208 -3.001 -32.072 1.00 16.16 C ATOM 57 NH1 ARG A 8 4.281 -3.162 -32.829 1.00 16.37 N ATOM 58 NH2 ARG A 8 3.322 -2.961 -30.744 1.00 20.56 N ATOM 59 HE ARG A 8 1.184 -2.800 -32.000 1.00 0.00 H ATOM 60 HH12 ARG A 8 5.218 -3.260 -32.389 1.00 0.00 H ATOM 61 HH11 ARG A 8 4.187 -3.190 -33.864 1.00 0.00 H ATOM 62 HH22 ARG A 8 4.257 -3.059 -30.299 1.00 0.00 H ATOM 63 HH21 ARG A 8 2.476 -2.832 -30.153 1.00 0.00 H ATOM 64 H ARG A 8 1.105 -0.544 -38.400 1.00 0.00 H ATOM 65 N LEU A 9 -0.859 0.525 -35.952 1.00 14.53 N ATOM 66 CA LEU A 9 -1.811 1.274 -35.119 1.00 12.21 C ATOM 67 C LEU A 9 -3.233 0.782 -35.340 1.00 14.98 C ATOM 68 O LEU A 9 -4.037 0.762 -34.410 1.00 18.17 O ATOM 69 CB LEU A 9 -1.715 2.774 -35.393 1.00 14.68 C ATOM 70 CG LEU A 9 -0.453 3.391 -34.786 1.00 13.82 C ATOM 71 CD1 LEU A 9 -0.086 4.719 -35.449 1.00 17.40 C ATOM 72 CD2 LEU A 9 -0.589 3.534 -33.267 1.00 14.73 C ATOM 73 H LEU A 9 -0.373 0.997 -36.741 1.00 0.00 H ATOM 74 N ALA A 10 -3.543 0.373 -36.568 1.00 17.14 N ATOM 75 CA ALA A 10 -4.830 -0.266 -36.824 1.00 18.71 C ATOM 76 C ALA A 10 -4.957 -1.576 -36.033 1.00 17.33 C ATOM 77 O ALA A 10 -6.029 -1.888 -35.498 1.00 19.84 O ATOM 78 CB ALA A 10 -5.014 -0.514 -38.318 1.00 20.50 C ATOM 79 H ALA A 10 -2.867 0.509 -37.347 1.00 0.00 H ATOM 80 N GLN A 11 -3.867 -2.333 -35.945 1.00 16.61 N ATOM 81 CA GLN A 11 -3.869 -3.565 -35.161 1.00 17.53 C ATOM 82 C GLN A 11 -4.037 -3.291 -33.667 1.00 15.46 C ATOM 83 O GLN A 11 -4.753 -4.016 -32.974 1.00 18.05 O ATOM 84 CB GLN A 11 -2.584 -4.354 -35.399 1.00 19.56 C ATOM 85 CG GLN A 11 -2.468 -4.952 -36.789 1.00 18.13 C ATOM 86 CD GLN A 11 -1.188 -5.742 -36.962 1.00 28.97 C ATOM 87 OE1 GLN A 11 -0.129 -5.337 -36.482 1.00 25.37 O ATOM 88 NE2 GLN A 11 -1.280 -6.880 -37.643 1.00 29.84 N ATOM 89 HE22 GLN A 11 -2.197 -7.182 -38.030 1.00 0.00 H ATOM 90 HE21 GLN A 11 -0.435 -7.469 -37.789 1.00 0.00 H ATOM 91 H GLN A 11 -3.001 -2.043 -36.442 1.00 0.00 H ATOM 92 N GLU A 12 -3.371 -2.250 -33.172 1.00 15.57 N ATOM 93 CA GLU A 12 -3.509 -1.866 -31.769 1.00 13.97 C ATOM 94 C GLU A 12 -4.938 -1.471 -31.466 1.00 15.93 C ATOM 95 O GLU A 12 -5.462 -1.796 -30.412 1.00 17.17 O ATOM 96 CB GLU A 12 -2.574 -0.703 -31.421 1.00 15.71 C ATOM 97 CG GLU A 12 -1.096 -1.051 -31.470 1.00 17.52 C ATOM 98 CD GLU A 12 -0.639 -1.815 -30.245 1.00 20.84 C ATOM 99 OE1 GLU A 12 -1.272 -1.665 -29.179 1.00 18.81 O ATOM 100 OE2 GLU A 12 0.354 -2.565 -30.333 1.00 23.07 O ATOM 101 H GLU A 12 -2.743 -1.702 -33.794 1.00 0.00 H ATOM 102 N ARG A 13 -5.559 -0.751 -32.396 1.00 16.85 N ATOM 103 CA ARG A 13 -6.924 -0.277 -32.184 1.00 16.71 C ATOM 104 C ARG A 13 -7.877 -1.465 -32.110 1.00 18.32 C ATOM 105 O ARG A 13 -8.762 -1.525 -31.263 1.00 20.54 O ATOM 106 CB ARG A 13 -7.335 0.682 -33.296 1.00 16.18 C ATOM 107 CG ARG A 13 -8.720 1.280 -33.112 1.00 22.16 C ATOM 108 CD ARG A 13 -9.021 2.251 -34.245 1.00 28.09 C ATOM 109 NE ARG A 13 -10.363 2.815 -34.152 1.00 40.53 N ATOM 110 CZ ARG A 13 -11.433 2.305 -34.750 1.00 43.72 C ATOM 111 NH1 ARG A 13 -11.326 1.208 -35.489 1.00 50.67 N ATOM 112 NH2 ARG A 13 -12.612 2.895 -34.608 1.00 61.44 N ATOM 113 HE ARG A 13 -10.490 3.674 -33.579 1.00 0.00 H ATOM 114 HH12 ARG A 13 -12.166 0.811 -35.956 1.00 0.00 H ATOM 115 HH11 ARG A 13 -10.402 0.745 -35.601 1.00 0.00 H ATOM 116 HH22 ARG A 13 -13.452 2.498 -35.075 1.00 0.00 H ATOM 117 HH21 ARG A 13 -12.697 3.755 -34.029 1.00 0.00 H ATOM 118 H ARG A 13 -5.067 -0.523 -33.284 1.00 0.00 H ATOM 119 N LYS A 14 -7.677 -2.414 -33.015 1.00 18.01 N ATOM 120 CA LYS A 14 -8.474 -3.631 -33.035 1.00 19.18 C ATOM 121 C LYS A 14 -8.345 -4.397 -31.719 1.00 18.54 C ATOM 122 O LYS A 14 -9.345 -4.805 -31.126 1.00 21.93 O ATOM 123 CB LYS A 14 -8.048 -4.505 -34.226 1.00 19.76 C ATOM 124 CG LYS A 14 -8.906 -5.745 -34.433 1.00 29.36 C ATOM 125 CD LYS A 14 -8.660 -6.380 -35.800 1.00 36.67 C ATOM 126 CE LYS A 14 -9.682 -7.474 -36.088 1.00 50.25 C ATOM 127 NZ LYS A 14 -9.509 -8.063 -37.449 1.00 62.28 N ATOM 128 HZ1 LYS A 14 -9.622 -7.317 -38.165 1.00 0.00 H ATOM 129 HZ2 LYS A 14 -8.559 -8.479 -37.527 1.00 0.00 H ATOM 130 HZ3 LYS A 14 -10.225 -8.802 -37.599 1.00 0.00 H ATOM 131 H LYS A 14 -6.931 -2.285 -33.728 1.00 0.00 H ATOM 132 N ALA A 15 -7.108 -4.567 -31.255 1.00 16.67 N ATOM 133 CA ALA A 15 -6.827 -5.311 -30.038 1.00 20.58 C ATOM 134 C ALA A 15 -7.422 -4.615 -28.817 1.00 20.06 C ATOM 135 O ALA A 15 -8.024 -5.251 -27.949 1.00 19.12 O ATOM 136 CB ALA A 15 -5.325 -5.489 -29.868 1.00 19.71 C ATOM 137 H ALA A 15 -6.314 -4.152 -31.783 1.00 0.00 H ATOM 138 N TRP A 16 -7.258 -3.299 -28.771 1.00 16.41 N ATOM 139 CA TRP A 16 -7.754 -2.504 -27.654 1.00 16.18 C ATOM 140 C TRP A 16 -9.274 -2.615 -27.535 1.00 18.72 C ATOM 141 O TRP A 16 -9.805 -2.831 -26.450 1.00 21.36 O ATOM 142 CB TRP A 16 -7.353 -1.032 -27.809 1.00 15.98 C ATOM 143 CG TRP A 16 -7.931 -0.166 -26.734 1.00 16.00 C ATOM 144 CD1 TRP A 16 -9.072 0.583 -26.797 1.00 16.44 C ATOM 145 CD2 TRP A 16 -7.392 0.032 -25.427 1.00 13.42 C ATOM 146 NE1 TRP A 16 -9.275 1.239 -25.604 1.00 15.53 N ATOM 147 CE2 TRP A 16 -8.261 0.911 -24.745 1.00 15.02 C ATOM 148 CE3 TRP A 16 -6.261 -0.453 -24.762 1.00 14.85 C ATOM 149 CZ2 TRP A 16 -8.027 1.322 -23.431 1.00 14.09 C ATOM 150 CZ3 TRP A 16 -6.029 -0.045 -23.463 1.00 16.22 C ATOM 151 CH2 TRP A 16 -6.911 0.833 -22.807 1.00 14.88 C ATOM 152 HE1 TRP A 16 -10.067 1.878 -25.391 1.00 0.00 H ATOM 153 H TRP A 16 -6.763 -2.822 -29.552 1.00 0.00 H ATOM 154 N ARG A 17 -9.971 -2.454 -28.657 1.00 19.21 N ATOM 155 CA ARG A 17 -11.430 -2.461 -28.634 1.00 22.75 C ATOM 156 C ARG A 17 -11.943 -3.843 -28.222 1.00 23.18 C ATOM 157 O ARG A 17 -12.958 -3.954 -27.527 1.00 27.20 O ATOM 158 CB ARG A 17 -11.995 -2.032 -29.993 1.00 24.44 C ATOM 159 CG ARG A 17 -11.751 -0.546 -30.324 1.00 20.82 C ATOM 160 CD ARG A 17 -12.182 -0.192 -31.746 1.00 23.63 C ATOM 161 NE ARG A 17 -13.615 -0.396 -31.948 1.00 31.79 N ATOM 162 CZ ARG A 17 -14.546 0.519 -31.692 1.00 45.40 C ATOM 163 NH1 ARG A 17 -14.202 1.710 -31.221 1.00 37.40 N ATOM 164 NH2 ARG A 17 -15.823 0.241 -31.906 1.00 49.80 N ATOM 165 HE ARG A 17 -13.927 -1.317 -32.316 1.00 0.00 H ATOM 166 HH12 ARG A 17 -14.934 2.422 -31.022 1.00 0.00 H ATOM 167 HH11 ARG A 17 -13.200 1.932 -31.050 1.00 0.00 H ATOM 168 HH22 ARG A 17 -16.551 0.956 -31.706 1.00 0.00 H ATOM 169 HH21 ARG A 17 -16.097 -0.692 -32.274 1.00 0.00 H ATOM 170 H ARG A 17 -9.471 -2.322 -29.559 1.00 0.00 H ATOM 171 N LYS A 18 -11.219 -4.889 -28.609 1.00 24.00 N ATOM 172 CA LYS A 18 -11.599 -6.253 -28.245 1.00 25.60 C ATOM 173 C LYS A 18 -11.434 -6.538 -26.745 1.00 29.36 C ATOM 174 O LYS A 18 -12.260 -7.224 -26.146 1.00 26.32 O ATOM 175 CB LYS A 18 -10.785 -7.264 -29.069 1.00 24.16 C ATOM 176 CG LYS A 18 -10.778 -8.678 -28.502 1.00 42.37 C ATOM 177 CD LYS A 18 -10.257 -9.683 -29.515 1.00 40.57 C ATOM 178 CE LYS A 18 -11.209 -9.813 -30.696 1.00 57.88 C ATOM 179 NZ LYS A 18 -10.853 -10.959 -31.584 1.00 76.40 N ATOM 180 HZ1 LYS A 18 -9.892 -10.822 -31.957 1.00 0.00 H ATOM 181 HZ2 LYS A 18 -10.891 -11.844 -31.039 1.00 0.00 H ATOM 182 HZ3 LYS A 18 -11.529 -11.007 -32.373 1.00 0.00 H ATOM 183 H LYS A 18 -10.365 -4.734 -29.182 1.00 0.00 H ATOM 184 N ASP A 19 -10.371 -6.007 -26.143 1.00 23.61 N ATOM 185 CA ASP A 19 -10.022 -6.325 -24.763 1.00 26.94 C ATOM 186 C ASP A 19 -9.137 -5.247 -24.159 1.00 30.03 C ATOM 187 O ASP A 19 -7.994 -5.085 -24.574 1.00 24.99 O ATOM 188 CB ASP A 19 -9.303 -7.674 -24.690 1.00 31.06 C ATOM 189 CG ASP A 19 -8.888 -8.041 -23.274 1.00 46.05 C ATOM 190 OD1 ASP A 19 -9.739 -7.965 -22.366 1.00 53.12 O ATOM 191 OD2 ASP A 19 -7.708 -8.401 -23.067 1.00 54.63 O ATOM 192 H ASP A 19 -9.771 -5.344 -26.674 1.00 0.00 H ATOM 193 N HIS A 20 -9.658 -4.510 -23.182 1.00 20.91 N ATOM 194 CA HIS A 20 -8.859 -3.491 -22.521 1.00 24.07 C ATOM 195 C HIS A 20 -9.245 -3.415 -21.050 1.00 23.15 C ATOM 196 O HIS A 20 -10.349 -3.840 -20.674 1.00 20.80 O ATOM 197 CB HIS A 20 -9.036 -2.134 -23.216 1.00 22.80 C ATOM 198 CG HIS A 20 -10.439 -1.624 -23.208 1.00 21.11 C ATOM 199 ND1 HIS A 20 -11.297 -1.790 -24.273 1.00 28.72 N ATOM 200 CD2 HIS A 20 -11.132 -0.933 -22.271 1.00 24.95 C ATOM 201 CE1 HIS A 20 -12.461 -1.235 -23.988 1.00 36.03 C ATOM 202 NE2 HIS A 20 -12.385 -0.703 -22.782 1.00 29.67 N ATOM 203 H HIS A 20 -10.644 -4.664 -22.889 1.00 0.00 H ATOM 204 N PRO A 21 -8.333 -2.906 -20.201 1.00 17.90 N ATOM 205 CA PRO A 21 -8.639 -2.787 -18.775 1.00 19.68 C ATOM 206 C PRO A 21 -9.786 -1.821 -18.495 1.00 20.62 C ATOM 207 O PRO A 21 -9.920 -0.770 -19.118 1.00 18.20 O ATOM 208 CB PRO A 21 -7.326 -2.272 -18.170 1.00 19.05 C ATOM 209 CG PRO A 21 -6.623 -1.603 -19.310 1.00 20.19 C ATOM 210 CD PRO A 21 -6.984 -2.403 -20.522 1.00 21.08 C ATOM 211 N PHE A 22 -10.617 -2.196 -17.537 1.00 17.97 N ATOM 212 CA PHE A 22 -11.816 -1.441 -17.241 1.00 16.18 C ATOM 213 C PHE A 22 -11.504 -0.019 -16.775 1.00 18.46 C ATOM 214 O PHE A 22 -10.591 0.199 -15.972 1.00 18.72 O ATOM 215 CB PHE A 22 -12.641 -2.176 -16.172 1.00 19.68 C ATOM 216 CG PHE A 22 -13.933 -1.497 -15.856 1.00 21.84 C ATOM 217 CD1 PHE A 22 -14.989 -1.559 -16.753 1.00 20.64 C ATOM 218 CD2 PHE A 22 -14.088 -0.782 -14.678 1.00 19.82 C ATOM 219 CE1 PHE A 22 -16.185 -0.927 -16.476 1.00 26.06 C ATOM 220 CE2 PHE A 22 -15.280 -0.143 -14.398 1.00 25.70 C ATOM 221 CZ PHE A 22 -16.330 -0.217 -15.297 1.00 26.59 C ATOM 222 H PHE A 22 -10.405 -3.051 -16.985 1.00 0.00 H ATOM 223 N GLY A 23 -12.265 0.941 -17.287 1.00 17.19 N ATOM 224 CA GLY A 23 -12.119 2.324 -16.866 1.00 18.12 C ATOM 225 C GLY A 23 -11.105 3.106 -17.682 1.00 17.86 C ATOM 226 O GLY A 23 -11.041 4.328 -17.575 1.00 18.83 O ATOM 227 H GLY A 23 -12.979 0.698 -18.003 1.00 0.00 H ATOM 228 N PHE A 24 -10.303 2.406 -18.479 1.00 15.22 N ATOM 229 CA PHE A 24 -9.357 3.077 -19.378 1.00 15.60 C ATOM 230 C PHE A 24 -10.049 3.476 -20.677 1.00 15.93 C ATOM 231 O PHE A 24 -10.980 2.807 -21.126 1.00 18.31 O ATOM 232 CB PHE A 24 -8.161 2.180 -19.725 1.00 15.04 C ATOM 233 CG PHE A 24 -7.169 1.977 -18.604 1.00 14.28 C ATOM 234 CD1 PHE A 24 -7.482 1.195 -17.490 1.00 12.70 C ATOM 235 CD2 PHE A 24 -5.888 2.503 -18.701 1.00 15.00 C ATOM 236 CE1 PHE A 24 -6.543 0.977 -16.498 1.00 15.22 C ATOM 237 CE2 PHE A 24 -4.947 2.287 -17.711 1.00 14.60 C ATOM 238 CZ PHE A 24 -5.275 1.526 -16.599 1.00 16.25 C ATOM 239 H PHE A 24 -10.347 1.367 -18.465 1.00 0.00 H ATOM 240 N VAL A 25 -9.566 4.551 -21.286 1.00 15.22 N ATOM 241 CA VAL A 25 -10.024 4.988 -22.606 1.00 14.84 C ATOM 242 C VAL A 25 -8.810 5.144 -23.522 1.00 13.76 C ATOM 243 O VAL A 25 -7.752 5.597 -23.082 1.00 15.66 O ATOM 244 CB VAL A 25 -10.802 6.323 -22.518 1.00 16.46 C ATOM 245 CG1 VAL A 25 -11.235 6.805 -23.898 1.00 19.31 C ATOM 246 CG2 VAL A 25 -12.010 6.163 -21.598 1.00 19.45 C ATOM 247 H VAL A 25 -8.830 5.107 -20.805 1.00 0.00 H ATOM 248 N ALA A 26 -8.939 4.738 -24.782 1.00 12.90 N ATOM 249 CA ALA A 26 -7.897 5.012 -25.775 1.00 15.03 C ATOM 250 C ALA A 26 -8.543 5.088 -27.148 1.00 15.83 C ATOM 251 O ALA A 26 -8.977 4.069 -27.678 1.00 17.23 O ATOM 252 CB ALA A 26 -6.818 3.939 -25.749 1.00 11.82 C ATOM 253 H ALA A 26 -9.793 4.218 -25.067 1.00 0.00 H ATOM 254 N VAL A 27 -8.622 6.291 -27.711 1.00 14.85 N ATOM 255 CA VAL A 27 -9.337 6.522 -28.963 1.00 16.47 C ATOM 256 C VAL A 27 -8.513 7.409 -29.891 1.00 16.88 C ATOM 257 O VAL A 27 -7.970 8.425 -29.454 1.00 18.13 O ATOM 258 CB VAL A 27 -10.717 7.194 -28.716 1.00 17.81 C ATOM 259 CG1 VAL A 27 -11.472 7.384 -30.026 1.00 17.41 C ATOM 260 CG2 VAL A 27 -11.552 6.386 -27.734 1.00 20.44 C ATOM 261 H VAL A 27 -8.158 7.095 -27.243 1.00 0.00 H ATOM 262 N PRO A 28 -8.405 7.029 -31.171 1.00 13.62 N ATOM 263 CA PRO A 28 -7.756 7.912 -32.145 1.00 14.63 C ATOM 264 C PRO A 28 -8.566 9.186 -32.380 1.00 15.78 C ATOM 265 O PRO A 28 -9.785 9.174 -32.210 1.00 18.82 O ATOM 266 CB PRO A 28 -7.702 7.055 -33.416 1.00 16.33 C ATOM 267 CG PRO A 28 -7.791 5.645 -32.931 1.00 21.53 C ATOM 268 CD PRO A 28 -8.684 5.695 -31.728 1.00 16.98 C ATOM 269 N THR A 29 -7.891 10.267 -32.760 1.00 15.47 N ATOM 270 CA THR A 29 -8.550 11.544 -32.996 1.00 16.50 C ATOM 271 C THR A 29 -8.905 11.672 -34.472 1.00 15.21 C ATOM 272 O THR A 29 -8.873 10.693 -35.206 1.00 17.50 O ATOM 273 CB THR A 29 -7.660 12.704 -32.562 1.00 17.52 C ATOM 274 OG1 THR A 29 -6.408 12.633 -33.255 1.00 18.65 O ATOM 275 CG2 THR A 29 -7.394 12.618 -31.059 1.00 17.64 C ATOM 276 HG1 THR A 29 -5.961 11.776 -33.040 1.00 0.00 H ATOM 277 H THR A 29 -6.862 10.198 -32.893 1.00 0.00 H ATOM 278 N LYS A 30 -9.251 12.884 -34.894 1.00 16.03 N ATOM 279 CA LYS A 30 -9.622 13.136 -36.273 1.00 19.12 C ATOM 280 C LYS A 30 -8.748 14.204 -36.895 1.00 18.51 C ATOM 281 O LYS A 30 -8.278 15.123 -36.224 1.00 19.57 O ATOM 282 CB LYS A 30 -11.094 13.539 -36.365 1.00 17.22 C ATOM 283 CG LYS A 30 -12.039 12.387 -36.027 1.00 22.10 C ATOM 284 CD LYS A 30 -13.502 12.783 -36.188 1.00 23.46 C ATOM 285 CE LYS A 30 -14.412 11.619 -35.844 1.00 25.60 C ATOM 286 NZ LYS A 30 -15.844 11.989 -36.033 1.00 31.21 N ATOM 287 HZ1 LYS A 30 -16.078 12.791 -35.414 1.00 0.00 H ATOM 288 HZ2 LYS A 30 -16.004 12.257 -37.025 1.00 0.00 H ATOM 289 HZ3 LYS A 30 -16.446 11.176 -35.791 1.00 0.00 H ATOM 290 H LYS A 30 -9.256 13.673 -34.217 1.00 0.00 H ATOM 291 N ASN A 31 -8.532 14.055 -38.196 1.00 19.26 N ATOM 292 CA ASN A 31 -7.871 15.056 -39.002 1.00 19.61 C ATOM 293 C ASN A 31 -8.824 16.211 -39.294 1.00 27.43 C ATOM 294 O ASN A 31 -10.025 16.075 -39.092 1.00 25.22 O ATOM 295 CB ASN A 31 -7.376 14.414 -40.292 1.00 19.27 C ATOM 296 CG ASN A 31 -6.247 13.435 -40.050 1.00 21.63 C ATOM 297 OD1 ASN A 31 -5.247 13.779 -39.416 1.00 22.25 O ATOM 298 ND2 ASN A 31 -6.406 12.210 -40.534 1.00 25.50 N ATOM 299 HD22 ASN A 31 -7.268 11.968 -41.063 1.00 0.00 H ATOM 300 HD21 ASN A 31 -5.669 11.492 -40.385 1.00 0.00 H ATOM 301 H ASN A 31 -8.853 13.179 -38.656 1.00 0.00 H ATOM 302 N PRO A 32 -8.297 17.356 -39.768 1.00 26.31 N ATOM 303 CA PRO A 32 -9.194 18.480 -40.067 1.00 26.80 C ATOM 304 C PRO A 32 -10.281 18.161 -41.097 1.00 28.19 C ATOM 305 O PRO A 32 -11.302 18.851 -41.104 1.00 30.23 O ATOM 306 CB PRO A 32 -8.237 19.548 -40.604 1.00 35.17 C ATOM 307 CG PRO A 32 -6.953 19.251 -39.931 1.00 34.87 C ATOM 308 CD PRO A 32 -6.880 17.752 -39.873 1.00 27.36 C ATOM 309 N ASP A 33 -10.079 17.149 -41.938 1.00 30.38 N ATOM 310 CA ASP A 33 -11.102 16.770 -42.911 1.00 28.85 C ATOM 311 C ASP A 33 -12.060 15.709 -42.376 1.00 31.22 C ATOM 312 O ASP A 33 -12.906 15.206 -43.112 1.00 33.12 O ATOM 313 CB ASP A 33 -10.460 16.283 -44.217 1.00 33.01 C ATOM 314 CG ASP A 33 -9.603 15.041 -44.033 1.00 44.22 C ATOM 315 OD1 ASP A 33 -9.561 14.480 -42.918 1.00 30.68 O ATOM 316 OD2 ASP A 33 -8.976 14.611 -45.022 1.00 37.11 O ATOM 317 H ASP A 33 -9.183 16.622 -41.902 1.00 0.00 H ATOM 318 N GLY A 34 -11.923 15.369 -41.097 1.00 21.23 N ATOM 319 CA GLY A 34 -12.823 14.423 -40.459 1.00 23.25 C ATOM 320 C GLY A 34 -12.410 12.955 -40.488 1.00 21.31 C ATOM 321 O GLY A 34 -13.057 12.111 -39.852 1.00 25.71 O ATOM 322 H GLY A 34 -11.153 15.791 -40.540 1.00 0.00 H ATOM 323 N THR A 35 -11.342 12.635 -41.213 1.00 25.13 N ATOM 324 CA THR A 35 -10.882 11.254 -41.256 1.00 24.09 C ATOM 325 C THR A 35 -10.164 10.896 -39.957 1.00 22.52 C ATOM 326 O THR A 35 -9.783 11.775 -39.183 1.00 21.24 O ATOM 327 CB THR A 35 -9.941 10.993 -42.461 1.00 19.45 C ATOM 328 OG1 THR A 35 -8.850 11.918 -42.430 1.00 25.01 O ATOM 329 CG2 THR A 35 -10.707 11.162 -43.770 1.00 27.47 C ATOM 330 HG1 THR A 35 -9.201 12.842 -42.481 1.00 0.00 H ATOM 331 H THR A 35 -10.836 13.370 -41.748 1.00 0.00 H ATOM 332 N MET A 36 -9.990 9.602 -39.720 1.00 24.47 N ATOM 333 CA MET A 36 -9.358 9.135 -38.489 1.00 21.75 C ATOM 334 C MET A 36 -7.868 9.419 -38.514 1.00 23.40 C ATOM 335 O MET A 36 -7.198 9.189 -39.528 1.00 24.81 O ATOM 336 CB MET A 36 -9.601 7.643 -38.289 1.00 25.91 C ATOM 337 CG MET A 36 -8.866 7.045 -37.090 1.00 21.36 C ATOM 338 SD MET A 36 -9.312 5.322 -36.830 1.00 28.84 S ATOM 339 CE MET A 36 -10.987 5.490 -36.218 1.00 39.12 C ATOM 340 H MET A 36 -10.310 8.907 -40.424 1.00 0.00 H ATOM 341 N ASN A 37 -7.357 9.933 -37.400 1.00 18.16 N ATOM 342 CA ASN A 37 -5.935 10.175 -37.253 1.00 15.44 C ATOM 343 C ASN A 37 -5.363 9.179 -36.250 1.00 17.50 C ATOM 344 O ASN A 37 -5.447 9.378 -35.038 1.00 16.71 O ATOM 345 CB ASN A 37 -5.665 11.628 -36.825 1.00 15.31 C ATOM 346 CG ASN A 37 -4.185 11.938 -36.700 1.00 16.03 C ATOM 347 OD1 ASN A 37 -3.334 11.109 -37.030 1.00 21.74 O ATOM 348 ND2 ASN A 37 -3.867 13.133 -36.213 1.00 21.37 N ATOM 349 HD22 ASN A 37 -4.617 13.803 -35.947 1.00 0.00 H ATOM 350 HD21 ASN A 37 -2.868 13.399 -36.098 1.00 0.00 H ATOM 351 H ASN A 37 -7.994 10.168 -36.612 1.00 0.00 H ATOM 352 N LEU A 38 -4.783 8.097 -36.764 1.00 17.17 N ATOM 353 CA LEU A 38 -4.230 7.064 -35.895 1.00 15.93 C ATOM 354 C LEU A 38 -2.920 7.487 -35.225 1.00 14.79 C ATOM 355 O LEU A 38 -2.421 6.770 -34.363 1.00 16.20 O ATOM 356 CB LEU A 38 -4.008 5.765 -36.690 1.00 15.95 C ATOM 357 CG LEU A 38 -5.259 4.947 -37.022 1.00 17.64 C ATOM 358 CD1 LEU A 38 -4.936 3.877 -38.072 1.00 18.53 C ATOM 359 CD2 LEU A 38 -5.833 4.296 -35.776 1.00 20.10 C ATOM 360 H LEU A 38 -4.723 7.987 -37.796 1.00 0.00 H ATOM 361 N MET A 39 -2.370 8.635 -35.599 1.00 16.89 N ATOM 362 CA MET A 39 -1.088 9.073 -35.049 1.00 15.94 C ATOM 363 C MET A 39 -1.242 9.866 -33.744 1.00 15.07 C ATOM 364 O MET A 39 -0.254 10.237 -33.115 1.00 15.26 O ATOM 365 CB MET A 39 -0.320 9.932 -36.064 1.00 18.60 C ATOM 366 CG MET A 39 -0.164 9.298 -37.437 1.00 19.17 C ATOM 367 SD MET A 39 0.608 7.672 -37.382 1.00 19.94 S ATOM 368 CE MET A 39 2.297 8.101 -37.013 1.00 16.99 C ATOM 369 H MET A 39 -2.859 9.233 -36.295 1.00 0.00 H ATOM 370 N ASN A 40 -2.485 10.147 -33.363 1.00 14.89 N ATOM 371 CA ASN A 40 -2.758 11.021 -32.226 1.00 16.18 C ATOM 372 C ASN A 40 -3.972 10.491 -31.473 1.00 16.33 C ATOM 373 O ASN A 40 -5.079 10.519 -31.985 1.00 16.73 O ATOM 374 CB ASN A 40 -2.987 12.465 -32.719 1.00 14.57 C ATOM 375 CG ASN A 40 -3.268 13.460 -31.597 1.00 19.69 C ATOM 376 OD1 ASN A 40 -3.719 13.105 -30.497 1.00 18.47 O ATOM 377 ND2 ASN A 40 -3.026 14.738 -31.892 1.00 22.58 N ATOM 378 HD22 ASN A 40 -2.648 14.993 -32.826 1.00 0.00 H ATOM 379 HD21 ASN A 40 -3.216 15.479 -31.188 1.00 0.00 H ATOM 380 H ASN A 40 -3.282 9.734 -33.888 1.00 0.00 H ATOM 381 N TRP A 41 -3.748 9.964 -30.273 1.00 13.56 N ATOM 382 CA TRP A 41 -4.814 9.325 -29.517 1.00 13.70 C ATOM 383 C TRP A 41 -5.112 10.083 -28.235 1.00 12.38 C ATOM 384 O TRP A 41 -4.199 10.586 -27.577 1.00 14.98 O ATOM 385 CB TRP A 41 -4.456 7.880 -29.141 1.00 13.39 C ATOM 386 CG TRP A 41 -4.361 6.882 -30.260 1.00 12.97 C ATOM 387 CD1 TRP A 41 -3.704 7.026 -31.438 1.00 12.84 C ATOM 388 CD2 TRP A 41 -4.894 5.554 -30.254 1.00 12.02 C ATOM 389 NE1 TRP A 41 -3.815 5.875 -32.189 1.00 14.64 N ATOM 390 CE2 TRP A 41 -4.538 4.955 -31.477 1.00 13.77 C ATOM 391 CE3 TRP A 41 -5.652 4.819 -29.336 1.00 17.43 C ATOM 392 CZ2 TRP A 41 -4.912 3.649 -31.804 1.00 16.24 C ATOM 393 CZ3 TRP A 41 -6.024 3.526 -29.662 1.00 17.65 C ATOM 394 CH2 TRP A 41 -5.653 2.952 -30.885 1.00 18.77 C ATOM 395 HE1 TRP A 41 -3.416 5.730 -33.138 1.00 0.00 H ATOM 396 H TRP A 41 -2.792 10.010 -29.867 1.00 0.00 H ATOM 397 N GLU A 42 -6.390 10.124 -27.876 1.00 11.98 N ATOM 398 CA GLU A 42 -6.815 10.678 -26.596 1.00 10.47 C ATOM 399 C GLU A 42 -7.151 9.531 -25.658 1.00 14.56 C ATOM 400 O GLU A 42 -7.947 8.659 -25.993 1.00 15.12 O ATOM 401 CB GLU A 42 -8.000 11.622 -26.803 1.00 14.78 C ATOM 402 CG GLU A 42 -7.539 12.971 -27.347 1.00 17.88 C ATOM 403 CD GLU A 42 -8.634 13.816 -27.977 1.00 29.20 C ATOM 404 OE1 GLU A 42 -9.776 13.343 -28.116 1.00 26.48 O ATOM 405 OE2 GLU A 42 -8.327 14.967 -28.359 1.00 30.62 O ATOM 406 H GLU A 42 -7.109 9.750 -28.527 1.00 0.00 H ATOM 407 N CYS A 43 -6.510 9.524 -24.495 1.00 12.60 N ATOM 408 CA CYS A 43 -6.585 8.398 -23.575 1.00 13.63 C ATOM 409 C CYS A 43 -6.968 8.868 -22.193 1.00 14.70 C ATOM 410 O CYS A 43 -6.856 10.043 -21.866 1.00 13.34 O ATOM 411 CB CYS A 43 -5.240 7.666 -23.500 1.00 13.02 C ATOM 412 SG CYS A 43 -4.608 7.105 -25.092 1.00 16.42 S ATOM 413 H CYS A 43 -5.935 10.350 -24.233 1.00 0.00 H ATOM 414 N ALA A 44 -7.420 7.939 -21.371 1.00 15.08 N ATOM 415 CA ALA A 44 -7.672 8.260 -19.980 1.00 15.02 C ATOM 416 C ALA A 44 -7.276 7.072 -19.129 1.00 14.67 C ATOM 417 O ALA A 44 -7.518 5.914 -19.498 1.00 15.09 O ATOM 418 CB ALA A 44 -9.120 8.623 -19.757 1.00 20.47 C ATOM 419 H ALA A 44 -7.595 6.976 -21.722 1.00 0.00 H ATOM 420 N ILE A 45 -6.645 7.375 -18.002 1.00 14.96 N ATOM 421 CA ILE A 45 -6.211 6.357 -17.059 1.00 13.30 C ATOM 422 C ILE A 45 -6.936 6.568 -15.740 1.00 12.77 C ATOM 423 O ILE A 45 -6.860 7.644 -15.153 1.00 13.81 O ATOM 424 CB ILE A 45 -4.686 6.418 -16.817 1.00 14.42 C ATOM 425 CG1 ILE A 45 -3.907 6.141 -18.114 1.00 15.83 C ATOM 426 CG2 ILE A 45 -4.275 5.468 -15.726 1.00 14.74 C ATOM 427 CD1 ILE A 45 -2.427 6.386 -17.973 1.00 16.40 C ATOM 428 H ILE A 45 -6.454 8.374 -17.786 1.00 0.00 H ATOM 429 N PRO A 46 -7.634 5.533 -15.261 1.00 13.76 N ATOM 430 CA PRO A 46 -8.286 5.646 -13.954 1.00 17.72 C ATOM 431 C PRO A 46 -7.284 5.444 -12.831 1.00 15.94 C ATOM 432 O PRO A 46 -6.375 4.628 -12.967 1.00 15.95 O ATOM 433 CB PRO A 46 -9.316 4.512 -13.985 1.00 14.39 C ATOM 434 CG PRO A 46 -8.657 3.448 -14.830 1.00 13.00 C ATOM 435 CD PRO A 46 -7.916 4.246 -15.918 1.00 14.57 C ATOM 436 N GLY A 47 -7.444 6.174 -11.732 1.00 14.67 N ATOM 437 CA GLY A 47 -6.663 5.883 -10.549 1.00 16.27 C ATOM 438 C GLY A 47 -7.008 4.495 -10.039 1.00 17.09 C ATOM 439 O GLY A 47 -8.155 4.056 -10.127 1.00 20.48 O ATOM 440 H GLY A 47 -8.131 6.955 -11.722 1.00 0.00 H ATOM 441 N ALA A 48 -6.008 3.796 -9.522 1.00 18.73 N ATOM 442 CA ALA A 48 -6.238 2.473 -8.956 1.00 21.96 C ATOM 443 C ALA A 48 -7.052 2.581 -7.668 1.00 26.27 C ATOM 444 O ALA A 48 -6.818 3.469 -6.847 1.00 22.43 O ATOM 445 CB ALA A 48 -4.920 1.772 -8.700 1.00 24.83 C ATOM 446 H ALA A 48 -5.048 4.196 -9.520 1.00 0.00 H ATOM 447 N ALA A 49 -8.025 1.690 -7.502 1.00 29.13 N ATOM 448 CA ALA A 49 -8.822 1.676 -6.282 1.00 25.97 C ATOM 449 C ALA A 49 -7.923 1.375 -5.094 1.00 23.16 C ATOM 450 O ALA A 49 -6.902 0.713 -5.237 1.00 26.03 O ATOM 451 CB ALA A 49 -9.941 0.654 -6.374 1.00 36.14 C ATOM 452 H ALA A 49 -8.219 0.995 -8.251 1.00 0.00 H ATOM 453 N GLY A 50 -8.295 1.878 -3.926 1.00 23.88 N ATOM 454 CA GLY A 50 -7.531 1.616 -2.723 1.00 21.29 C ATOM 455 C GLY A 50 -6.227 2.378 -2.630 1.00 34.07 C ATOM 456 O GLY A 50 -5.424 2.121 -1.736 1.00 23.55 O ATOM 457 H GLY A 50 -9.148 2.470 -3.872 1.00 0.00 H ATOM 458 N THR A 51 -6.011 3.310 -3.558 1.00 24.71 N ATOM 459 CA THR A 51 -4.827 4.164 -3.542 1.00 20.86 C ATOM 460 C THR A 51 -5.240 5.631 -3.458 1.00 16.70 C ATOM 461 O THR A 51 -6.403 5.963 -3.684 1.00 19.19 O ATOM 462 CB THR A 51 -3.952 3.956 -4.818 1.00 21.31 C ATOM 463 OG1 THR A 51 -4.538 4.670 -5.914 1.00 21.16 O ATOM 464 CG2 THR A 51 -3.808 2.482 -5.162 1.00 23.07 C ATOM 465 HG1 THR A 51 -5.452 4.328 -6.078 1.00 0.00 H ATOM 466 H THR A 51 -6.709 3.433 -4.319 1.00 0.00 H ATOM 467 N PRO A 52 -4.288 6.529 -3.153 1.00 19.61 N ATOM 468 CA PRO A 52 -4.574 7.970 -3.185 1.00 24.39 C ATOM 469 C PRO A 52 -5.083 8.480 -4.541 1.00 17.40 C ATOM 470 O PRO A 52 -5.683 9.555 -4.613 1.00 19.00 O ATOM 471 CB PRO A 52 -3.215 8.605 -2.863 1.00 28.56 C ATOM 472 CG PRO A 52 -2.470 7.566 -2.133 1.00 26.67 C ATOM 473 CD PRO A 52 -2.935 6.243 -2.636 1.00 29.21 C ATOM 474 N TRP A 53 -4.854 7.714 -5.606 1.00 18.59 N ATOM 475 CA TRP A 53 -5.293 8.126 -6.938 1.00 15.46 C ATOM 476 C TRP A 53 -6.724 7.703 -7.235 1.00 16.33 C ATOM 477 O TRP A 53 -7.280 8.068 -8.271 1.00 17.60 O ATOM 478 CB TRP A 53 -4.360 7.547 -8.025 1.00 14.86 C ATOM 479 CG TRP A 53 -2.955 7.982 -7.829 1.00 14.54 C ATOM 480 CD1 TRP A 53 -2.049 7.469 -6.947 1.00 19.75 C ATOM 481 CD2 TRP A 53 -2.296 9.057 -8.505 1.00 14.38 C ATOM 482 NE1 TRP A 53 -0.868 8.159 -7.028 1.00 17.12 N ATOM 483 CE2 TRP A 53 -0.994 9.141 -7.978 1.00 14.79 C ATOM 484 CE3 TRP A 53 -2.686 9.965 -9.500 1.00 14.56 C ATOM 485 CZ2 TRP A 53 -0.079 10.098 -8.405 1.00 16.20 C ATOM 486 CZ3 TRP A 53 -1.769 10.916 -9.929 1.00 15.26 C ATOM 487 CH2 TRP A 53 -0.487 10.974 -9.381 1.00 15.12 C ATOM 488 HE1 TRP A 53 -0.016 7.970 -6.462 1.00 0.00 H ATOM 489 H TRP A 53 -4.355 6.809 -5.488 1.00 0.00 H ATOM 490 N ALA A 54 -7.323 6.932 -6.328 1.00 17.51 N ATOM 491 CA ALA A 54 -8.656 6.386 -6.570 1.00 19.52 C ATOM 492 C ALA A 54 -9.687 7.471 -6.838 1.00 15.63 C ATOM 493 O ALA A 54 -9.685 8.519 -6.189 1.00 20.73 O ATOM 494 CB ALA A 54 -9.097 5.528 -5.387 1.00 20.69 C ATOM 495 H ALA A 54 -6.835 6.716 -5.436 1.00 0.00 H ATOM 496 N GLY A 55 -10.565 7.212 -7.803 1.00 18.83 N ATOM 497 CA GLY A 55 -11.645 8.127 -8.130 1.00 21.00 C ATOM 498 C GLY A 55 -11.291 9.144 -9.201 1.00 20.71 C ATOM 499 O GLY A 55 -12.168 9.802 -9.765 1.00 22.63 O ATOM 500 H GLY A 55 -10.476 6.326 -8.341 1.00 0.00 H ATOM 501 N GLY A 56 -10.000 9.286 -9.480 1.00 16.46 N ATOM 502 CA GLY A 56 -9.560 10.224 -10.496 1.00 18.60 C ATOM 503 C GLY A 56 -9.534 9.569 -11.864 1.00 16.31 C ATOM 504 O GLY A 56 -9.373 8.356 -11.979 1.00 16.69 O ATOM 505 H GLY A 56 -9.297 8.719 -8.965 1.00 0.00 H ATOM 506 N LEU A 57 -9.734 10.375 -12.898 1.00 14.98 N ATOM 507 CA LEU A 57 -9.613 9.902 -14.271 1.00 14.96 C ATOM 508 C LEU A 57 -8.703 10.887 -14.981 1.00 17.42 C ATOM 509 O LEU A 57 -9.046 12.062 -15.136 1.00 17.93 O ATOM 510 CB LEU A 57 -10.978 9.813 -14.954 1.00 16.89 C ATOM 511 CG LEU A 57 -10.978 9.212 -16.360 1.00 18.19 C ATOM 512 CD1 LEU A 57 -10.475 7.773 -16.310 1.00 18.45 C ATOM 513 CD2 LEU A 57 -12.369 9.287 -16.984 1.00 22.78 C ATOM 514 H LEU A 57 -9.983 11.370 -12.725 1.00 0.00 H ATOM 515 N PHE A 58 -7.539 10.404 -15.394 1.00 16.02 N ATOM 516 CA PHE A 58 -6.466 11.289 -15.794 1.00 13.77 C ATOM 517 C PHE A 58 -6.243 11.205 -17.295 1.00 14.71 C ATOM 518 O PHE A 58 -5.863 10.159 -17.825 1.00 16.34 O ATOM 519 CB PHE A 58 -5.205 10.937 -15.007 1.00 12.93 C ATOM 520 CG PHE A 58 -5.434 10.917 -13.520 1.00 14.34 C ATOM 521 CD1 PHE A 58 -5.498 12.104 -12.807 1.00 17.85 C ATOM 522 CD2 PHE A 58 -5.622 9.726 -12.854 1.00 15.17 C ATOM 523 CE1 PHE A 58 -5.734 12.099 -11.435 1.00 17.98 C ATOM 524 CE2 PHE A 58 -5.858 9.709 -11.482 1.00 15.14 C ATOM 525 CZ PHE A 58 -5.911 10.907 -10.776 1.00 17.25 C ATOM 526 H PHE A 58 -7.395 9.375 -15.431 1.00 0.00 H ATOM 527 N LYS A 59 -6.501 12.319 -17.973 1.00 13.94 N ATOM 528 CA LYS A 59 -6.437 12.354 -19.419 1.00 14.22 C ATOM 529 C LYS A 59 -5.021 12.522 -19.933 1.00 12.44 C ATOM 530 O LYS A 59 -4.230 13.308 -19.400 1.00 13.49 O ATOM 531 CB LYS A 59 -7.337 13.471 -19.936 1.00 20.30 C ATOM 532 CG LYS A 59 -8.735 13.330 -19.336 1.00 26.60 C ATOM 533 CD LYS A 59 -9.764 14.256 -19.941 1.00 36.67 C ATOM 534 CE LYS A 59 -11.124 13.965 -19.313 1.00 52.63 C ATOM 535 NZ LYS A 59 -12.249 14.581 -20.060 1.00 57.68 N ATOM 536 HZ1 LYS A 59 -12.124 15.613 -20.083 1.00 0.00 H ATOM 537 HZ2 LYS A 59 -12.262 14.211 -21.032 1.00 0.00 H ATOM 538 HZ3 LYS A 59 -13.146 14.349 -19.587 1.00 0.00 H ATOM 539 H LYS A 59 -6.754 13.184 -17.454 1.00 0.00 H ATOM 540 N LEU A 60 -4.708 11.777 -20.982 1.00 11.30 N ATOM 541 CA LEU A 60 -3.420 11.941 -21.605 1.00 13.82 C ATOM 542 C LEU A 60 -3.530 11.756 -23.099 1.00 12.21 C ATOM 543 O LEU A 60 -4.447 11.102 -23.615 1.00 14.67 O ATOM 544 CB LEU A 60 -2.398 10.968 -21.024 1.00 19.50 C ATOM 545 CG LEU A 60 -2.483 9.526 -21.497 1.00 18.59 C ATOM 546 CD1 LEU A 60 -1.087 8.907 -21.551 1.00 21.55 C ATOM 547 CD2 LEU A 60 -3.390 8.730 -20.593 1.00 16.14 C ATOM 548 H LEU A 60 -5.386 11.080 -21.352 1.00 0.00 H ATOM 549 N ARG A 61 -2.574 12.348 -23.789 1.00 12.47 N ATOM 550 CA ARG A 61 -2.495 12.227 -25.220 1.00 10.05 C ATOM 551 C ARG A 61 -1.307 11.357 -25.569 1.00 12.36 C ATOM 552 O ARG A 61 -0.245 11.460 -24.947 1.00 12.97 O ATOM 553 CB ARG A 61 -2.361 13.617 -25.856 1.00 13.37 C ATOM 554 CG ARG A 61 -2.568 13.626 -27.358 1.00 14.47 C ATOM 555 CD ARG A 61 -2.560 15.046 -27.913 1.00 18.42 C ATOM 556 NE ARG A 61 -3.643 15.845 -27.337 1.00 19.13 N ATOM 557 CZ ARG A 61 -4.908 15.797 -27.753 1.00 22.36 C ATOM 558 NH1 ARG A 61 -5.255 15.005 -28.756 1.00 21.06 N ATOM 559 NH2 ARG A 61 -5.830 16.556 -27.169 1.00 23.34 N ATOM 560 HE ARG A 61 -3.411 16.490 -26.555 1.00 0.00 H ATOM 561 HH12 ARG A 61 -6.244 14.973 -29.075 1.00 0.00 H ATOM 562 HH11 ARG A 61 -4.538 14.415 -29.225 1.00 0.00 H ATOM 563 HH22 ARG A 61 -6.817 16.518 -27.494 1.00 0.00 H ATOM 564 HH21 ARG A 61 -5.564 17.188 -26.387 1.00 0.00 H ATOM 565 H ARG A 61 -1.861 12.915 -23.287 1.00 0.00 H ATOM 566 N MET A 62 -1.514 10.506 -26.569 1.00 11.36 N ATOM 567 CA MET A 62 -0.477 9.624 -27.069 1.00 12.38 C ATOM 568 C MET A 62 -0.159 10.010 -28.510 1.00 11.60 C ATOM 569 O MET A 62 -1.026 9.939 -29.376 1.00 15.00 O ATOM 570 CB MET A 62 -0.934 8.165 -26.961 1.00 15.13 C ATOM 571 CG MET A 62 0.192 7.163 -26.954 1.00 17.88 C ATOM 572 SD MET A 62 -0.387 5.490 -26.577 1.00 15.46 S ATOM 573 CE MET A 62 -0.645 5.567 -24.805 1.00 15.88 C ATOM 574 H MET A 62 -2.455 10.471 -27.010 1.00 0.00 H ATOM 575 N LEU A 63 1.086 10.434 -28.745 1.00 11.46 N ATOM 576 CA LEU A 63 1.519 10.949 -30.053 1.00 12.53 C ATOM 577 C LEU A 63 2.561 10.026 -30.677 1.00 13.74 C ATOM 578 O LEU A 63 3.632 9.824 -30.094 1.00 15.21 O ATOM 579 CB LEU A 63 2.094 12.362 -29.902 1.00 17.16 C ATOM 580 CG LEU A 63 1.105 13.400 -29.353 1.00 24.57 C ATOM 581 CD1 LEU A 63 1.807 14.710 -29.039 1.00 33.60 C ATOM 582 CD2 LEU A 63 -0.008 13.617 -30.359 1.00 26.54 C ATOM 583 H LEU A 63 1.779 10.398 -27.970 1.00 0.00 H ATOM 584 N PHE A 64 2.246 9.489 -31.855 1.00 13.24 N ATOM 585 CA PHE A 64 3.119 8.541 -32.549 1.00 12.99 C ATOM 586 C PHE A 64 3.896 9.214 -33.670 1.00 17.00 C ATOM 587 O PHE A 64 3.337 9.999 -34.426 1.00 17.72 O ATOM 588 CB PHE A 64 2.295 7.384 -33.111 1.00 12.41 C ATOM 589 CG PHE A 64 1.588 6.589 -32.048 1.00 13.85 C ATOM 590 CD1 PHE A 64 0.318 6.960 -31.608 1.00 15.15 C ATOM 591 CD2 PHE A 64 2.201 5.488 -31.462 1.00 13.87 C ATOM 592 CE1 PHE A 64 -0.326 6.241 -30.619 1.00 12.88 C ATOM 593 CE2 PHE A 64 1.554 4.761 -30.472 1.00 13.83 C ATOM 594 CZ PHE A 64 0.298 5.139 -30.050 1.00 13.76 C ATOM 595 H PHE A 64 1.344 9.754 -32.299 1.00 0.00 H ATOM 596 N LYS A 65 5.191 8.922 -33.749 1.00 15.79 N ATOM 597 CA LYS A 65 5.998 9.362 -34.884 1.00 17.86 C ATOM 598 C LYS A 65 5.812 8.447 -36.089 1.00 15.15 C ATOM 599 O LYS A 65 5.359 7.313 -35.974 1.00 16.96 O ATOM 600 CB LYS A 65 7.482 9.410 -34.517 1.00 23.23 C ATOM 601 CG LYS A 65 7.786 10.176 -33.250 1.00 27.55 C ATOM 602 CD LYS A 65 9.209 10.703 -33.237 1.00 31.10 C ATOM 603 CE LYS A 65 10.211 9.627 -33.585 1.00 43.49 C ATOM 604 NZ LYS A 65 11.569 10.205 -33.776 1.00 50.44 N ATOM 605 HZ1 LYS A 65 11.543 10.900 -34.549 1.00 0.00 H ATOM 606 HZ2 LYS A 65 11.872 10.673 -32.898 1.00 0.00 H ATOM 607 HZ3 LYS A 65 12.238 9.445 -34.014 1.00 0.00 H ATOM 608 H LYS A 65 5.637 8.370 -32.989 1.00 0.00 H ATOM 609 N ASP A 66 6.204 8.939 -37.255 1.00 17.38 N ATOM 610 CA ASP A 66 6.059 8.157 -38.469 1.00 16.07 C ATOM 611 C ASP A 66 6.829 6.841 -38.435 1.00 17.47 C ATOM 612 O ASP A 66 6.457 5.896 -39.136 1.00 22.49 O ATOM 613 CB ASP A 66 6.515 8.966 -39.685 1.00 20.81 C ATOM 614 CG ASP A 66 5.517 10.030 -40.093 1.00 44.94 C ATOM 615 OD1 ASP A 66 4.316 9.895 -39.772 1.00 47.67 O ATOM 616 OD2 ASP A 66 5.939 11.002 -40.749 1.00 34.35 O ATOM 617 H ASP A 66 6.618 9.892 -37.301 1.00 0.00 H ATOM 618 N ASP A 67 7.893 6.753 -37.637 1.00 18.07 N ATOM 619 CA ASP A 67 8.648 5.503 -37.604 1.00 16.52 C ATOM 620 C ASP A 67 8.207 4.540 -36.498 1.00 15.75 C ATOM 621 O ASP A 67 8.870 3.539 -36.260 1.00 19.74 O ATOM 622 CB ASP A 67 10.154 5.781 -37.491 1.00 17.92 C ATOM 623 CG ASP A 67 10.549 6.445 -36.193 1.00 23.68 C ATOM 624 OD1 ASP A 67 9.658 6.812 -35.399 1.00 26.90 O ATOM 625 OD2 ASP A 67 11.771 6.610 -35.967 1.00 23.60 O ATOM 626 H ASP A 67 8.181 7.560 -37.048 1.00 0.00 H ATOM 627 N TYR A 68 7.087 4.828 -35.835 1.00 15.09 N ATOM 628 CA TYR A 68 6.502 3.858 -34.903 1.00 14.70 C ATOM 629 C TYR A 68 6.245 2.533 -35.644 1.00 14.27 C ATOM 630 O TYR A 68 5.782 2.550 -36.785 1.00 15.80 O ATOM 631 CB TYR A 68 5.199 4.424 -34.315 1.00 17.22 C ATOM 632 CG TYR A 68 4.372 3.432 -33.532 1.00 10.97 C ATOM 633 CD1 TYR A 68 4.660 3.146 -32.205 1.00 12.05 C ATOM 634 CD2 TYR A 68 3.296 2.781 -34.127 1.00 10.76 C ATOM 635 CE1 TYR A 68 3.899 2.230 -31.494 1.00 11.58 C ATOM 636 CE2 TYR A 68 2.545 1.868 -33.437 1.00 12.20 C ATOM 637 CZ TYR A 68 2.837 1.592 -32.121 1.00 12.58 C ATOM 638 OH TYR A 68 2.062 0.668 -31.452 1.00 14.55 O ATOM 639 HH TYR A 68 2.389 0.576 -30.522 1.00 0.00 H ATOM 640 H TYR A 68 6.624 5.748 -35.980 1.00 0.00 H ATOM 641 N PRO A 69 6.511 1.376 -35.004 1.00 13.03 N ATOM 642 CA PRO A 69 6.914 1.144 -33.613 1.00 10.98 C ATOM 643 C PRO A 69 8.425 1.060 -33.369 1.00 11.02 C ATOM 644 O PRO A 69 8.814 0.542 -32.323 1.00 12.04 O ATOM 645 CB PRO A 69 6.233 -0.189 -33.291 1.00 13.02 C ATOM 646 CG PRO A 69 6.350 -0.958 -34.599 1.00 12.90 C ATOM 647 CD PRO A 69 6.181 0.109 -35.689 1.00 14.07 C ATOM 648 N SER A 70 9.252 1.560 -34.283 1.00 12.85 N ATOM 649 CA SER A 70 10.669 1.717 -33.978 1.00 12.74 C ATOM 650 C SER A 70 10.833 2.551 -32.707 1.00 11.95 C ATOM 651 O SER A 70 11.630 2.236 -31.818 1.00 14.61 O ATOM 652 CB SER A 70 11.394 2.373 -35.149 1.00 12.21 C ATOM 653 OG SER A 70 12.786 2.420 -34.931 1.00 13.01 O ATOM 654 HG SER A 70 12.973 2.944 -34.112 1.00 0.00 H ATOM 655 H SER A 70 8.887 1.839 -35.216 1.00 0.00 H ATOM 656 N SER A 71 10.050 3.623 -32.648 1.00 14.00 N ATOM 657 CA SER A 71 10.074 4.563 -31.529 1.00 13.85 C ATOM 658 C SER A 71 8.825 4.438 -30.682 1.00 14.16 C ATOM 659 O SER A 71 7.760 4.079 -31.184 1.00 15.14 O ATOM 660 CB SER A 71 10.177 5.988 -32.055 1.00 14.08 C ATOM 661 OG SER A 71 9.112 6.234 -32.955 1.00 18.26 O ATOM 662 HG SER A 71 8.249 6.116 -32.484 1.00 0.00 H ATOM 663 H SER A 71 9.391 3.801 -33.433 1.00 0.00 H ATOM 664 N PRO A 72 8.942 4.771 -29.395 1.00 13.89 N ATOM 665 CA PRO A 72 7.765 4.834 -28.530 1.00 12.42 C ATOM 666 C PRO A 72 6.931 6.081 -28.813 1.00 12.52 C ATOM 667 O PRO A 72 7.443 7.057 -29.360 1.00 13.30 O ATOM 668 CB PRO A 72 8.363 4.912 -27.126 1.00 12.79 C ATOM 669 CG PRO A 72 9.668 5.609 -27.331 1.00 13.05 C ATOM 670 CD PRO A 72 10.183 5.120 -28.674 1.00 14.65 C ATOM 671 N PRO A 73 5.646 6.042 -28.458 1.00 12.20 N ATOM 672 CA PRO A 73 4.899 7.300 -28.500 1.00 14.44 C ATOM 673 C PRO A 73 5.350 8.252 -27.406 1.00 12.70 C ATOM 674 O PRO A 73 5.883 7.822 -26.380 1.00 14.60 O ATOM 675 CB PRO A 73 3.462 6.859 -28.230 1.00 15.96 C ATOM 676 CG PRO A 73 3.631 5.694 -27.315 1.00 16.11 C ATOM 677 CD PRO A 73 4.833 4.943 -27.903 1.00 14.72 C ATOM 678 N LYS A 74 5.133 9.542 -27.636 1.00 12.96 N ATOM 679 CA LYS A 74 5.217 10.537 -26.585 1.00 12.97 C ATOM 680 C LYS A 74 3.893 10.520 -25.834 1.00 11.73 C ATOM 681 O LYS A 74 2.844 10.572 -26.460 1.00 13.70 O ATOM 682 CB LYS A 74 5.489 11.921 -27.173 1.00 11.97 C ATOM 683 CG LYS A 74 5.364 13.055 -26.173 1.00 13.87 C ATOM 684 CD LYS A 74 5.576 14.398 -26.862 1.00 16.50 C ATOM 685 CE LYS A 74 5.696 15.526 -25.861 1.00 21.63 C ATOM 686 NZ LYS A 74 5.883 16.833 -26.562 1.00 22.72 N ATOM 687 HZ1 LYS A 74 6.750 16.797 -27.135 1.00 0.00 H ATOM 688 HZ2 LYS A 74 5.065 17.014 -27.179 1.00 0.00 H ATOM 689 HZ3 LYS A 74 5.963 17.594 -25.858 1.00 0.00 H ATOM 690 H LYS A 74 4.895 9.848 -28.601 1.00 0.00 H ATOM 691 N CYS A 75 3.942 10.417 -24.508 1.00 12.53 N ATOM 692 CA CYS A 75 2.734 10.353 -23.700 1.00 11.65 C ATOM 693 C CYS A 75 2.691 11.564 -22.799 1.00 13.98 C ATOM 694 O CYS A 75 3.626 11.793 -22.043 1.00 14.99 O ATOM 695 CB CYS A 75 2.694 9.076 -22.857 1.00 10.02 C ATOM 696 SG CYS A 75 2.682 7.585 -23.889 1.00 14.42 S ATOM 697 H CYS A 75 4.869 10.381 -24.037 1.00 0.00 H ATOM 698 N LYS A 76 1.621 12.348 -22.902 1.00 10.80 N ATOM 699 CA LYS A 76 1.574 13.656 -22.251 1.00 11.99 C ATOM 700 C LYS A 76 0.259 13.810 -21.508 1.00 11.67 C ATOM 701 O LYS A 76 -0.815 13.790 -22.119 1.00 12.94 O ATOM 702 CB LYS A 76 1.746 14.750 -23.314 1.00 15.59 C ATOM 703 CG LYS A 76 1.940 16.166 -22.820 1.00 21.64 C ATOM 704 CD LYS A 76 2.466 17.016 -23.983 1.00 24.89 C ATOM 705 CE LYS A 76 2.586 18.484 -23.626 1.00 40.47 C ATOM 706 NZ LYS A 76 3.251 19.234 -24.729 1.00 39.87 N ATOM 707 HZ1 LYS A 76 4.202 18.844 -24.887 1.00 0.00 H ATOM 708 HZ2 LYS A 76 2.688 19.141 -25.598 1.00 0.00 H ATOM 709 HZ3 LYS A 76 3.325 20.238 -24.468 1.00 0.00 H ATOM 710 H LYS A 76 0.803 12.024 -23.456 1.00 0.00 H ATOM 711 N PHE A 77 0.325 13.947 -20.189 1.00 11.46 N ATOM 712 CA PHE A 77 -0.877 14.278 -19.445 1.00 14.01 C ATOM 713 C PHE A 77 -1.369 15.683 -19.798 1.00 11.64 C ATOM 714 O PHE A 77 -0.588 16.632 -19.848 1.00 13.90 O ATOM 715 CB PHE A 77 -0.624 14.165 -17.944 1.00 13.00 C ATOM 716 CG PHE A 77 -0.627 12.752 -17.446 1.00 11.74 C ATOM 717 CD1 PHE A 77 -1.802 12.025 -17.405 1.00 11.53 C ATOM 718 CD2 PHE A 77 0.544 12.153 -17.013 1.00 11.91 C ATOM 719 CE1 PHE A 77 -1.808 10.714 -16.951 1.00 10.72 C ATOM 720 CE2 PHE A 77 0.541 10.838 -16.547 1.00 13.04 C ATOM 721 CZ PHE A 77 -0.634 10.120 -16.523 1.00 11.65 C ATOM 722 H PHE A 77 1.230 13.818 -19.693 1.00 0.00 H ATOM 723 N GLU A 78 -2.672 15.789 -20.056 1.00 11.87 N ATOM 724 CA GLU A 78 -3.299 17.066 -20.391 1.00 16.63 C ATOM 725 C GLU A 78 -4.567 17.214 -19.554 1.00 16.78 C ATOM 726 O GLU A 78 -5.574 16.563 -19.833 1.00 22.09 O ATOM 727 CB GLU A 78 -3.603 17.139 -21.886 1.00 23.46 C ATOM 728 CG GLU A 78 -2.348 17.117 -22.732 1.00 22.64 C ATOM 729 CD GLU A 78 -2.634 17.216 -24.216 1.00 41.96 C ATOM 730 OE1 GLU A 78 -3.822 17.144 -24.596 1.00 35.45 O ATOM 731 OE2 GLU A 78 -1.665 17.364 -24.994 1.00 38.91 O ATOM 732 H GLU A 78 -3.263 14.934 -20.018 1.00 0.00 H ATOM 733 N PRO A 79 -4.523 18.062 -18.519 1.00 14.35 N ATOM 734 CA PRO A 79 -3.417 18.940 -18.126 1.00 13.44 C ATOM 735 C PRO A 79 -2.287 18.201 -17.405 1.00 15.10 C ATOM 736 O PRO A 79 -2.447 17.033 -17.044 1.00 18.12 O ATOM 737 CB PRO A 79 -4.098 19.935 -17.178 1.00 19.67 C ATOM 738 CG PRO A 79 -5.163 19.122 -16.535 1.00 20.05 C ATOM 739 CD PRO A 79 -5.669 18.184 -17.597 1.00 17.18 C ATOM 740 N PRO A 80 -1.145 18.877 -17.193 1.00 15.73 N ATOM 741 CA PRO A 80 -0.044 18.263 -16.447 1.00 15.34 C ATOM 742 C PRO A 80 -0.444 17.869 -15.022 1.00 15.89 C ATOM 743 O PRO A 80 -1.284 18.536 -14.406 1.00 19.10 O ATOM 744 CB PRO A 80 1.022 19.362 -16.434 1.00 17.85 C ATOM 745 CG PRO A 80 0.733 20.166 -17.663 1.00 19.45 C ATOM 746 CD PRO A 80 -0.762 20.176 -17.774 1.00 19.23 C ATOM 747 N LEU A 81 0.145 16.788 -14.526 1.00 13.17 N ATOM 748 CA LEU A 81 -0.161 16.273 -13.193 1.00 12.28 C ATOM 749 C LEU A 81 0.979 16.466 -12.205 1.00 14.07 C ATOM 750 O LEU A 81 2.156 16.504 -12.575 1.00 15.47 O ATOM 751 CB LEU A 81 -0.494 14.776 -13.267 1.00 18.29 C ATOM 752 CG LEU A 81 -1.710 14.345 -14.085 1.00 19.93 C ATOM 753 CD1 LEU A 81 -1.844 12.829 -14.058 1.00 19.61 C ATOM 754 CD2 LEU A 81 -2.981 15.009 -13.579 1.00 26.94 C ATOM 755 H LEU A 81 0.849 16.290 -15.107 1.00 0.00 H ATOM 756 N PHE A 82 0.610 16.574 -10.927 1.00 13.09 N ATOM 757 CA PHE A 82 1.557 16.503 -9.833 1.00 14.24 C ATOM 758 C PHE A 82 2.000 15.054 -9.634 1.00 15.50 C ATOM 759 O PHE A 82 1.185 14.197 -9.272 1.00 14.70 O ATOM 760 CB PHE A 82 0.879 17.086 -8.574 1.00 14.28 C ATOM 761 CG PHE A 82 1.669 16.953 -7.301 1.00 18.97 C ATOM 762 CD1 PHE A 82 1.512 15.845 -6.492 1.00 15.78 C ATOM 763 CD2 PHE A 82 2.509 17.973 -6.876 1.00 18.90 C ATOM 764 CE1 PHE A 82 2.220 15.723 -5.292 1.00 17.88 C ATOM 765 CE2 PHE A 82 3.212 17.862 -5.673 1.00 19.30 C ATOM 766 CZ PHE A 82 3.065 16.734 -4.892 1.00 19.90 C ATOM 767 H PHE A 82 -0.397 16.715 -10.708 1.00 0.00 H ATOM 768 N HIS A 83 3.273 14.775 -9.913 1.00 13.18 N ATOM 769 CA HIS A 83 3.861 13.438 -9.800 1.00 11.65 C ATOM 770 C HIS A 83 5.362 13.571 -10.018 1.00 13.04 C ATOM 771 O HIS A 83 5.781 14.324 -10.902 1.00 13.82 O ATOM 772 CB HIS A 83 3.254 12.465 -10.823 1.00 13.90 C ATOM 773 CG HIS A 83 3.723 11.052 -10.664 1.00 14.44 C ATOM 774 ND1 HIS A 83 4.951 10.615 -11.114 1.00 12.29 N ATOM 775 CD2 HIS A 83 3.126 9.975 -10.097 1.00 14.32 C ATOM 776 CE1 HIS A 83 5.088 9.330 -10.843 1.00 15.21 C ATOM 777 NE2 HIS A 83 4.000 8.920 -10.213 1.00 14.37 N ATOM 778 H HIS A 83 3.886 15.553 -10.230 1.00 0.00 H ATOM 779 N PRO A 84 6.179 12.848 -9.241 1.00 13.04 N ATOM 780 CA PRO A 84 7.625 13.061 -9.363 1.00 14.12 C ATOM 781 C PRO A 84 8.197 12.794 -10.753 1.00 14.16 C ATOM 782 O PRO A 84 9.247 13.348 -11.072 1.00 15.15 O ATOM 783 CB PRO A 84 8.213 12.063 -8.370 1.00 15.45 C ATOM 784 CG PRO A 84 7.147 11.907 -7.332 1.00 14.15 C ATOM 785 CD PRO A 84 5.853 11.944 -8.118 1.00 15.15 C ATOM 786 N ASN A 85 7.537 11.950 -11.547 1.00 12.48 N ATOM 787 CA ASN A 85 8.078 11.512 -12.829 1.00 13.76 C ATOM 788 C ASN A 85 7.292 12.030 -14.007 1.00 13.08 C ATOM 789 O ASN A 85 7.376 11.473 -15.107 1.00 14.04 O ATOM 790 CB ASN A 85 8.118 9.988 -12.909 1.00 13.70 C ATOM 791 CG ASN A 85 8.853 9.381 -11.759 1.00 16.94 C ATOM 792 OD1 ASN A 85 8.255 8.713 -10.927 1.00 16.88 O ATOM 793 ND2 ASN A 85 10.158 9.617 -11.694 1.00 19.08 N ATOM 794 HD22 ASN A 85 10.620 10.192 -12.427 1.00 0.00 H ATOM 795 HD21 ASN A 85 10.719 9.227 -10.910 1.00 0.00 H ATOM 796 H ASN A 85 6.609 11.593 -11.243 1.00 0.00 H ATOM 797 N VAL A 86 6.517 13.076 -13.782 1.00 11.19 N ATOM 798 CA VAL A 86 5.840 13.758 -14.876 1.00 10.91 C ATOM 799 C VAL A 86 6.421 15.160 -14.995 1.00 12.16 C ATOM 800 O VAL A 86 6.390 15.924 -14.035 1.00 13.12 O ATOM 801 CB VAL A 86 4.307 13.812 -14.657 1.00 14.26 C ATOM 802 CG1 VAL A 86 3.633 14.639 -15.750 1.00 14.46 C ATOM 803 CG2 VAL A 86 3.731 12.390 -14.608 1.00 13.08 C ATOM 804 H VAL A 86 6.388 13.418 -12.808 1.00 0.00 H ATOM 805 N TYR A 87 6.975 15.489 -16.162 1.00 12.00 N ATOM 806 CA TYR A 87 7.530 16.830 -16.387 1.00 11.86 C ATOM 807 C TYR A 87 6.445 17.887 -16.262 1.00 13.59 C ATOM 808 O TYR A 87 5.258 17.589 -16.422 1.00 13.34 O ATOM 809 CB TYR A 87 8.191 16.915 -17.775 1.00 11.22 C ATOM 810 CG TYR A 87 9.459 16.102 -17.884 1.00 11.63 C ATOM 811 CD1 TYR A 87 10.644 16.570 -17.338 1.00 13.27 C ATOM 812 CD2 TYR A 87 9.477 14.886 -18.556 1.00 13.10 C ATOM 813 CE1 TYR A 87 11.812 15.832 -17.430 1.00 15.24 C ATOM 814 CE2 TYR A 87 10.647 14.131 -18.667 1.00 13.63 C ATOM 815 CZ TYR A 87 11.807 14.617 -18.102 1.00 15.99 C ATOM 816 OH TYR A 87 12.968 13.898 -18.183 1.00 19.83 O ATOM 817 HH TYR A 87 13.694 14.393 -17.727 1.00 0.00 H ATOM 818 H TYR A 87 7.015 14.784 -16.926 1.00 0.00 H ATOM 819 N PRO A 88 6.848 19.142 -15.989 1.00 14.28 N ATOM 820 CA PRO A 88 5.892 20.250 -15.950 1.00 15.18 C ATOM 821 C PRO A 88 5.068 20.376 -17.218 1.00 13.12 C ATOM 822 O PRO A 88 3.945 20.874 -17.160 1.00 17.42 O ATOM 823 CB PRO A 88 6.794 21.477 -15.756 1.00 15.82 C ATOM 824 CG PRO A 88 7.934 20.952 -14.968 1.00 17.99 C ATOM 825 CD PRO A 88 8.179 19.546 -15.503 1.00 14.11 C ATOM 826 N SER A 89 5.609 19.929 -18.355 1.00 12.20 N ATOM 827 CA SER A 89 4.886 19.959 -19.613 1.00 13.48 C ATOM 828 C SER A 89 3.737 18.956 -19.684 1.00 15.36 C ATOM 829 O SER A 89 2.860 19.067 -20.540 1.00 15.47 O ATOM 830 CB SER A 89 5.838 19.656 -20.749 1.00 13.66 C ATOM 831 OG SER A 89 6.265 18.297 -20.653 1.00 13.10 O ATOM 832 HG SER A 89 6.888 18.095 -21.395 1.00 0.00 H ATOM 833 H SER A 89 6.577 19.548 -18.338 1.00 0.00 H ATOM 834 N GLY A 90 3.788 17.957 -18.811 1.00 12.91 N ATOM 835 CA GLY A 90 2.852 16.851 -18.849 1.00 11.77 C ATOM 836 C GLY A 90 3.462 15.562 -19.363 1.00 13.70 C ATOM 837 O GLY A 90 2.886 14.489 -19.188 1.00 11.80 O ATOM 838 H GLY A 90 4.524 17.968 -18.076 1.00 0.00 H ATOM 839 N THR A 91 4.623 15.661 -20.003 1.00 11.73 N ATOM 840 CA THR A 91 5.247 14.482 -20.588 1.00 8.23 C ATOM 841 C THR A 91 5.663 13.493 -19.505 1.00 11.63 C ATOM 842 O THR A 91 6.196 13.883 -18.462 1.00 13.26 O ATOM 843 CB THR A 91 6.454 14.872 -21.433 1.00 11.08 C ATOM 844 OG1 THR A 91 6.007 15.757 -22.463 1.00 14.17 O ATOM 845 CG2 THR A 91 7.081 13.642 -22.068 1.00 12.67 C ATOM 846 HG1 THR A 91 5.603 16.562 -22.052 1.00 0.00 H ATOM 847 H THR A 91 5.089 16.587 -20.087 1.00 0.00 H ATOM 848 N VAL A 92 5.380 12.215 -19.745 1.00 11.32 N ATOM 849 CA VAL A 92 5.698 11.158 -18.792 1.00 12.79 C ATOM 850 C VAL A 92 7.125 10.660 -18.964 1.00 14.51 C ATOM 851 O VAL A 92 7.541 10.371 -20.093 1.00 15.50 O ATOM 852 CB VAL A 92 4.733 9.964 -18.972 1.00 17.35 C ATOM 853 CG1 VAL A 92 5.109 8.792 -18.047 1.00 15.17 C ATOM 854 CG2 VAL A 92 3.301 10.409 -18.755 1.00 14.35 C ATOM 855 H VAL A 92 4.917 11.962 -20.641 1.00 0.00 H ATOM 856 N CYS A 93 7.866 10.572 -17.857 1.00 13.11 N ATOM 857 CA CYS A 93 9.217 10.015 -17.839 1.00 14.04 C ATOM 858 C CYS A 93 9.153 8.562 -17.350 1.00 15.50 C ATOM 859 O CYS A 93 8.882 8.306 -16.180 1.00 15.59 O ATOM 860 CB CYS A 93 10.128 10.856 -16.941 1.00 18.30 C ATOM 861 SG CYS A 93 11.856 10.307 -16.849 1.00 23.63 S ATOM 862 H CYS A 93 7.462 10.917 -16.963 1.00 0.00 H ATOM 863 N LEU A 94 9.393 7.625 -18.264 1.00 13.87 N ATOM 864 CA LEU A 94 9.242 6.195 -17.984 1.00 14.63 C ATOM 865 C LEU A 94 10.164 5.456 -18.943 1.00 14.88 C ATOM 866 O LEU A 94 10.193 5.780 -20.125 1.00 14.66 O ATOM 867 CB LEU A 94 7.789 5.759 -18.170 1.00 14.66 C ATOM 868 CG LEU A 94 7.370 4.323 -17.875 1.00 14.22 C ATOM 869 CD1 LEU A 94 7.670 3.979 -16.415 1.00 18.45 C ATOM 870 CD2 LEU A 94 5.896 4.102 -18.177 1.00 15.97 C ATOM 871 H LEU A 94 9.699 7.919 -19.213 1.00 0.00 H ATOM 872 N SER A 95 10.904 4.462 -18.441 1.00 17.85 N ATOM 873 CA SER A 95 11.955 3.804 -19.221 1.00 18.21 C ATOM 874 C SER A 95 11.423 3.121 -20.477 1.00 13.44 C ATOM 875 O SER A 95 12.066 3.147 -21.533 1.00 17.59 O ATOM 876 CB SER A 95 12.689 2.777 -18.357 1.00 21.29 C ATOM 877 OG SER A 95 11.811 1.744 -17.953 1.00 25.19 O ATOM 878 HG SER A 95 11.067 2.132 -17.427 1.00 0.00 H ATOM 879 H SER A 95 10.728 4.146 -17.466 1.00 0.00 H ATOM 880 N ILE A 96 10.244 2.511 -20.374 1.00 15.26 N ATOM 881 CA ILE A 96 9.694 1.866 -21.574 1.00 13.73 C ATOM 882 C ILE A 96 9.276 2.885 -22.636 1.00 16.02 C ATOM 883 O ILE A 96 8.989 2.491 -23.764 1.00 17.15 O ATOM 884 CB ILE A 96 8.487 0.953 -21.280 1.00 15.53 C ATOM 885 CG1 ILE A 96 7.322 1.734 -20.663 1.00 17.05 C ATOM 886 CG2 ILE A 96 8.895 -0.242 -20.417 1.00 22.72 C ATOM 887 CD1 ILE A 96 6.017 0.952 -20.690 1.00 20.62 C ATOM 888 H ILE A 96 9.728 2.492 -19.471 1.00 0.00 H ATOM 889 N LEU A 97 9.252 4.179 -22.292 1.00 14.07 N ATOM 890 CA LEU A 97 8.886 5.212 -23.264 1.00 12.92 C ATOM 891 C LEU A 97 10.096 5.925 -23.882 1.00 14.62 C ATOM 892 O LEU A 97 9.967 6.996 -24.463 1.00 16.57 O ATOM 893 CB LEU A 97 7.944 6.236 -22.625 1.00 14.07 C ATOM 894 CG LEU A 97 6.608 5.636 -22.182 1.00 17.03 C ATOM 895 CD1 LEU A 97 5.724 6.687 -21.510 1.00 17.49 C ATOM 896 CD2 LEU A 97 5.880 5.013 -23.374 1.00 22.88 C ATOM 897 H LEU A 97 9.497 4.455 -21.320 1.00 0.00 H ATOM 898 N GLU A 98 11.266 5.303 -23.776 1.00 16.50 N ATOM 899 CA GLU A 98 12.476 5.837 -24.390 1.00 14.47 C ATOM 900 C GLU A 98 13.112 4.762 -25.252 1.00 15.53 C ATOM 901 O GLU A 98 13.391 3.668 -24.766 1.00 18.90 O ATOM 902 CB GLU A 98 13.459 6.330 -23.324 1.00 20.71 C ATOM 903 CG GLU A 98 12.902 7.462 -22.469 1.00 21.72 C ATOM 904 CD GLU A 98 13.911 8.021 -21.482 1.00 36.71 C ATOM 905 OE1 GLU A 98 15.033 8.373 -21.906 1.00 36.27 O ATOM 906 OE2 GLU A 98 13.577 8.112 -20.279 1.00 43.68 O ATOM 907 H GLU A 98 11.320 4.413 -23.241 1.00 0.00 H ATOM 908 N GLU A 99 13.320 5.092 -26.524 1.00 18.21 N ATOM 909 CA GLU A 99 13.867 4.173 -27.521 1.00 19.30 C ATOM 910 C GLU A 99 15.197 3.581 -27.079 1.00 27.88 C ATOM 911 O GLU A 99 15.458 2.386 -27.269 1.00 28.43 O ATOM 912 CB GLU A 99 14.032 4.922 -28.847 1.00 25.15 C ATOM 913 CG GLU A 99 14.350 4.074 -30.071 1.00 24.92 C ATOM 914 CD GLU A 99 14.500 4.939 -31.317 1.00 32.97 C ATOM 915 OE1 GLU A 99 13.526 5.640 -31.680 1.00 28.19 O ATOM 916 OE2 GLU A 99 15.599 4.942 -31.917 1.00 30.83 O ATOM 917 H GLU A 99 13.080 6.058 -26.826 1.00 0.00 H ATOM 918 N ASP A 100 16.027 4.417 -26.467 1.00 23.40 N ATOM 919 CA ASP A 100 17.360 3.999 -26.043 1.00 33.25 C ATOM 920 C ASP A 100 17.375 3.288 -24.696 1.00 34.20 C ATOM 921 O ASP A 100 18.423 2.814 -24.257 1.00 35.38 O ATOM 922 CB ASP A 100 18.298 5.204 -25.996 1.00 39.93 C ATOM 923 CG ASP A 100 18.593 5.762 -27.374 1.00 54.76 C ATOM 924 OD1 ASP A 100 18.707 4.962 -28.329 1.00 50.98 O ATOM 925 OD2 ASP A 100 18.708 7.000 -27.503 1.00 74.15 O ATOM 926 H ASP A 100 15.720 5.394 -26.285 1.00 0.00 H ATOM 927 N LYS A 101 16.226 3.204 -24.032 1.00 23.11 N ATOM 928 CA LYS A 101 16.174 2.501 -22.765 1.00 18.93 C ATOM 929 C LYS A 101 15.384 1.200 -22.877 1.00 26.24 C ATOM 930 O LYS A 101 15.903 0.210 -23.398 1.00 30.73 O ATOM 931 CB LYS A 101 15.608 3.408 -21.667 1.00 24.22 C ATOM 932 CG LYS A 101 16.554 4.554 -21.327 1.00 30.98 C ATOM 933 CD LYS A 101 16.087 5.360 -20.122 1.00 31.40 C ATOM 934 CE LYS A 101 17.034 6.525 -19.862 1.00 36.43 C ATOM 935 NZ LYS A 101 16.576 7.378 -18.727 1.00 56.42 N ATOM 936 HZ1 LYS A 101 15.636 7.766 -18.944 1.00 0.00 H ATOM 937 HZ2 LYS A 101 16.524 6.803 -17.862 1.00 0.00 H ATOM 938 HZ3 LYS A 101 17.250 8.157 -18.587 1.00 0.00 H ATOM 939 H LYS A 101 15.366 3.642 -24.421 1.00 0.00 H ATOM 940 N ASP A 102 14.141 1.185 -22.412 1.00 20.67 N ATOM 941 CA ASP A 102 13.408 -0.076 -22.314 1.00 18.25 C ATOM 942 C ASP A 102 12.276 -0.225 -23.337 1.00 15.49 C ATOM 943 O ASP A 102 11.513 -1.189 -23.271 1.00 18.30 O ATOM 944 CB ASP A 102 12.853 -0.252 -20.898 1.00 18.94 C ATOM 945 CG ASP A 102 13.937 -0.583 -19.882 1.00 31.07 C ATOM 946 OD1 ASP A 102 15.066 -0.913 -20.298 1.00 36.49 O ATOM 947 OD2 ASP A 102 13.655 -0.526 -18.666 1.00 32.74 O ATOM 948 H ASP A 102 13.687 2.073 -22.117 1.00 0.00 H ATOM 949 N TRP A 103 12.163 0.702 -24.284 1.00 15.18 N ATOM 950 CA TRP A 103 11.169 0.529 -25.341 1.00 12.17 C ATOM 951 C TRP A 103 11.500 -0.704 -26.178 1.00 14.75 C ATOM 952 O TRP A 103 12.662 -0.972 -26.464 1.00 18.11 O ATOM 953 CB TRP A 103 11.088 1.760 -26.256 1.00 15.47 C ATOM 954 CG TRP A 103 10.220 1.544 -27.477 1.00 12.86 C ATOM 955 CD1 TRP A 103 10.639 1.417 -28.785 1.00 11.06 C ATOM 956 CD2 TRP A 103 8.790 1.413 -27.502 1.00 10.03 C ATOM 957 NE1 TRP A 103 9.549 1.215 -29.616 1.00 12.93 N ATOM 958 CE2 TRP A 103 8.408 1.212 -28.855 1.00 10.57 C ATOM 959 CE3 TRP A 103 7.797 1.432 -26.513 1.00 11.22 C ATOM 960 CZ2 TRP A 103 7.068 1.050 -29.239 1.00 11.72 C ATOM 961 CZ3 TRP A 103 6.462 1.268 -26.903 1.00 13.12 C ATOM 962 CH2 TRP A 103 6.116 1.078 -28.253 1.00 13.79 C ATOM 963 HE1 TRP A 103 9.589 1.087 -30.647 1.00 0.00 H ATOM 964 H TRP A 103 12.776 1.542 -24.272 1.00 0.00 H ATOM 965 N ARG A 104 10.453 -1.460 -26.497 1.00 12.41 N ATOM 966 CA ARG A 104 10.528 -2.564 -27.448 1.00 12.55 C ATOM 967 C ARG A 104 9.368 -2.405 -28.413 1.00 11.47 C ATOM 968 O ARG A 104 8.257 -2.133 -27.988 1.00 13.74 O ATOM 969 CB ARG A 104 10.452 -3.924 -26.737 1.00 15.59 C ATOM 970 CG ARG A 104 11.627 -4.230 -25.820 1.00 18.27 C ATOM 971 CD ARG A 104 11.508 -5.634 -25.219 1.00 25.08 C ATOM 972 NE ARG A 104 12.734 -6.041 -24.536 1.00 21.93 N ATOM 973 CZ ARG A 104 13.120 -7.303 -24.379 1.00 17.51 C ATOM 974 NH1 ARG A 104 12.379 -8.287 -24.861 1.00 13.62 N ATOM 975 NH2 ARG A 104 14.257 -7.576 -23.755 1.00 21.78 N ATOM 976 HE ARG A 104 13.345 -5.294 -24.147 1.00 0.00 H ATOM 977 HH12 ARG A 104 12.682 -9.274 -24.738 1.00 0.00 H ATOM 978 HH11 ARG A 104 11.494 -8.073 -25.363 1.00 0.00 H ATOM 979 HH22 ARG A 104 14.559 -8.564 -23.632 1.00 0.00 H ATOM 980 HH21 ARG A 104 14.847 -6.803 -23.388 1.00 0.00 H ATOM 981 H ARG A 104 9.538 -1.254 -26.047 1.00 0.00 H ATOM 982 N PRO A 105 9.624 -2.583 -29.721 1.00 11.28 N ATOM 983 CA PRO A 105 8.529 -2.406 -30.685 1.00 13.14 C ATOM 984 C PRO A 105 7.270 -3.233 -30.377 1.00 13.35 C ATOM 985 O PRO A 105 6.176 -2.767 -30.702 1.00 15.05 O ATOM 986 CB PRO A 105 9.167 -2.836 -32.006 1.00 15.16 C ATOM 987 CG PRO A 105 10.611 -2.438 -31.834 1.00 16.20 C ATOM 988 CD PRO A 105 10.930 -2.736 -30.381 1.00 13.17 C ATOM 989 N ALA A 106 7.408 -4.402 -29.750 1.00 15.05 N ATOM 990 CA ALA A 106 6.257 -5.260 -29.456 1.00 16.58 C ATOM 991 C ALA A 106 5.325 -4.729 -28.362 1.00 14.29 C ATOM 992 O ALA A 106 4.231 -5.258 -28.173 1.00 16.92 O ATOM 993 CB ALA A 106 6.739 -6.669 -29.066 1.00 16.94 C ATOM 994 H ALA A 106 8.358 -4.713 -29.462 1.00 0.00 H ATOM 995 N ILE A 107 5.751 -3.696 -27.642 1.00 14.09 N ATOM 996 CA ILE A 107 4.942 -3.172 -26.537 1.00 15.03 C ATOM 997 C ILE A 107 3.638 -2.572 -27.071 1.00 12.96 C ATOM 998 O ILE A 107 3.641 -1.833 -28.063 1.00 15.65 O ATOM 999 CB ILE A 107 5.736 -2.128 -25.727 1.00 10.56 C ATOM 1000 CG1 ILE A 107 6.908 -2.803 -25.017 1.00 14.78 C ATOM 1001 CG2 ILE A 107 4.852 -1.437 -24.703 1.00 12.94 C ATOM 1002 CD1 ILE A 107 7.769 -1.860 -24.185 1.00 15.78 C ATOM 1003 H ILE A 107 6.666 -3.255 -27.864 1.00 0.00 H ATOM 1004 N THR A 108 2.530 -2.925 -26.430 1.00 12.69 N ATOM 1005 CA THR A 108 1.205 -2.547 -26.891 1.00 13.38 C ATOM 1006 C THR A 108 0.715 -1.287 -26.198 1.00 14.05 C ATOM 1007 O THR A 108 1.237 -0.905 -25.154 1.00 13.69 O ATOM 1008 CB THR A 108 0.176 -3.657 -26.623 1.00 14.04 C ATOM 1009 OG1 THR A 108 0.051 -3.859 -25.212 1.00 15.35 O ATOM 1010 CG2 THR A 108 0.613 -4.967 -27.284 1.00 17.53 C ATOM 1011 HG1 THR A 108 -0.612 -4.574 -25.040 1.00 0.00 H ATOM 1012 H THR A 108 2.614 -3.494 -25.564 1.00 0.00 H ATOM 1013 N ILE A 109 -0.292 -0.651 -26.783 1.00 14.35 N ATOM 1014 CA ILE A 109 -0.897 0.512 -26.135 1.00 12.24 C ATOM 1015 C ILE A 109 -1.440 0.142 -24.748 1.00 15.20 C ATOM 1016 O ILE A 109 -1.297 0.917 -23.794 1.00 14.68 O ATOM 1017 CB ILE A 109 -2.003 1.117 -27.025 1.00 13.45 C ATOM 1018 CG1 ILE A 109 -1.353 1.817 -28.226 1.00 16.83 C ATOM 1019 CG2 ILE A 109 -2.878 2.093 -26.218 1.00 20.33 C ATOM 1020 CD1 ILE A 109 -2.340 2.354 -29.252 1.00 20.75 C ATOM 1021 H ILE A 109 -0.651 -0.980 -27.702 1.00 0.00 H ATOM 1022 N LYS A 110 -2.019 -1.051 -24.607 1.00 14.23 N ATOM 1023 CA LYS A 110 -2.487 -1.491 -23.297 1.00 13.62 C ATOM 1024 C LYS A 110 -1.349 -1.587 -22.283 1.00 13.08 C ATOM 1025 O LYS A 110 -1.500 -1.160 -21.147 1.00 14.57 O ATOM 1026 CB LYS A 110 -3.197 -2.846 -23.392 1.00 19.45 C ATOM 1027 CG LYS A 110 -3.585 -3.393 -22.029 1.00 20.69 C ATOM 1028 CD LYS A 110 -3.860 -4.884 -22.067 1.00 35.77 C ATOM 1029 CE LYS A 110 -5.050 -5.199 -22.937 1.00 39.57 C ATOM 1030 NZ LYS A 110 -5.319 -6.668 -22.974 1.00 50.00 N ATOM 1031 HZ1 LYS A 110 -4.488 -7.162 -23.357 1.00 0.00 H ATOM 1032 HZ2 LYS A 110 -5.513 -7.008 -22.010 1.00 0.00 H ATOM 1033 HZ3 LYS A 110 -6.143 -6.853 -23.580 1.00 0.00 H ATOM 1034 H LYS A 110 -2.137 -1.670 -25.434 1.00 0.00 H ATOM 1035 N GLN A 111 -0.213 -2.143 -22.692 1.00 11.97 N ATOM 1036 CA GLN A 111 0.941 -2.228 -21.804 1.00 13.05 C ATOM 1037 C GLN A 111 1.488 -0.852 -21.423 1.00 12.35 C ATOM 1038 O GLN A 111 1.884 -0.634 -20.274 1.00 13.05 O ATOM 1039 CB GLN A 111 2.026 -3.082 -22.452 1.00 15.14 C ATOM 1040 CG GLN A 111 1.633 -4.552 -22.434 1.00 15.98 C ATOM 1041 CD GLN A 111 2.595 -5.428 -23.192 1.00 20.02 C ATOM 1042 OE1 GLN A 111 3.184 -5.018 -24.183 1.00 16.80 O ATOM 1043 NE2 GLN A 111 2.770 -6.659 -22.712 1.00 35.60 N ATOM 1044 HE22 GLN A 111 2.248 -6.966 -21.866 1.00 0.00 H ATOM 1045 HE21 GLN A 111 3.428 -7.312 -23.183 1.00 0.00 H ATOM 1046 H GLN A 111 -0.146 -2.522 -23.658 1.00 0.00 H ATOM 1047 N ILE A 112 1.471 0.076 -22.377 1.00 11.17 N ATOM 1048 CA ILE A 112 1.874 1.437 -22.071 1.00 13.09 C ATOM 1049 C ILE A 112 0.959 2.053 -21.028 1.00 13.21 C ATOM 1050 O ILE A 112 1.433 2.612 -20.048 1.00 13.05 O ATOM 1051 CB ILE A 112 1.881 2.316 -23.324 1.00 10.53 C ATOM 1052 CG1 ILE A 112 2.967 1.832 -24.275 1.00 13.97 C ATOM 1053 CG2 ILE A 112 2.094 3.794 -22.945 1.00 12.64 C ATOM 1054 CD1 ILE A 112 2.912 2.495 -25.629 1.00 12.82 C ATOM 1055 H ILE A 112 1.169 -0.173 -23.341 1.00 0.00 H ATOM 1056 N LEU A 113 -0.350 1.957 -21.235 1.00 10.07 N ATOM 1057 CA LEU A 113 -1.270 2.619 -20.320 1.00 12.05 C ATOM 1058 C LEU A 113 -1.252 1.951 -18.942 1.00 11.91 C ATOM 1059 O LEU A 113 -1.330 2.643 -17.927 1.00 13.47 O ATOM 1060 CB LEU A 113 -2.677 2.641 -20.912 1.00 12.49 C ATOM 1061 CG LEU A 113 -2.807 3.554 -22.139 1.00 12.04 C ATOM 1062 CD1 LEU A 113 -4.195 3.453 -22.735 1.00 14.92 C ATOM 1063 CD2 LEU A 113 -2.488 4.997 -21.758 1.00 13.38 C ATOM 1064 H LEU A 113 -0.715 1.414 -22.043 1.00 0.00 H ATOM 1065 N LEU A 114 -1.114 0.625 -18.892 1.00 12.52 N ATOM 1066 CA LEU A 114 -0.992 -0.031 -17.592 1.00 12.89 C ATOM 1067 C LEU A 114 0.337 0.330 -16.925 1.00 13.46 C ATOM 1068 O LEU A 114 0.410 0.461 -15.698 1.00 15.78 O ATOM 1069 CB LEU A 114 -1.127 -1.550 -17.731 1.00 14.28 C ATOM 1070 CG LEU A 114 -2.546 -2.019 -18.035 1.00 16.15 C ATOM 1071 CD1 LEU A 114 -2.495 -3.450 -18.513 1.00 19.32 C ATOM 1072 CD2 LEU A 114 -3.416 -1.895 -16.798 1.00 20.54 C ATOM 1073 H LEU A 114 -1.093 0.065 -19.768 1.00 0.00 H ATOM 1074 N GLY A 115 1.379 0.497 -17.733 1.00 12.52 N ATOM 1075 CA GLY A 115 2.677 0.903 -17.230 1.00 14.04 C ATOM 1076 C GLY A 115 2.648 2.294 -16.630 1.00 14.77 C ATOM 1077 O GLY A 115 3.258 2.537 -15.584 1.00 14.12 O ATOM 1078 H GLY A 115 1.260 0.332 -18.753 1.00 0.00 H ATOM 1079 N ILE A 116 1.932 3.210 -17.277 1.00 12.28 N ATOM 1080 CA ILE A 116 1.789 4.553 -16.734 1.00 12.22 C ATOM 1081 C ILE A 116 0.909 4.540 -15.488 1.00 13.96 C ATOM 1082 O ILE A 116 1.198 5.247 -14.516 1.00 14.15 O ATOM 1083 CB ILE A 116 1.217 5.531 -17.790 1.00 9.89 C ATOM 1084 CG1 ILE A 116 2.191 5.653 -18.953 1.00 12.07 C ATOM 1085 CG2 ILE A 116 1.008 6.913 -17.166 1.00 13.83 C ATOM 1086 CD1 ILE A 116 1.658 6.449 -20.128 1.00 13.88 C ATOM 1087 H ILE A 116 1.471 2.965 -18.177 1.00 0.00 H ATOM 1088 N GLN A 117 -0.150 3.728 -15.481 1.00 10.97 N ATOM 1089 CA GLN A 117 -0.968 3.635 -14.260 1.00 13.66 C ATOM 1090 C GLN A 117 -0.131 3.158 -13.072 1.00 13.63 C ATOM 1091 O GLN A 117 -0.281 3.663 -11.952 1.00 15.16 O ATOM 1092 CB GLN A 117 -2.164 2.696 -14.446 1.00 14.45 C ATOM 1093 CG GLN A 117 -3.150 2.771 -13.263 1.00 15.09 C ATOM 1094 CD GLN A 117 -4.132 1.613 -13.266 1.00 15.93 C ATOM 1095 OE1 GLN A 117 -3.754 0.473 -13.563 1.00 17.70 O ATOM 1096 NE2 GLN A 117 -5.402 1.902 -12.967 1.00 15.86 N ATOM 1097 HE22 GLN A 117 -5.670 2.877 -12.724 1.00 0.00 H ATOM 1098 HE21 GLN A 117 -6.122 1.152 -12.978 1.00 0.00 H ATOM 1099 H GLN A 117 -0.394 3.170 -16.324 1.00 0.00 H ATOM 1100 N GLU A 118 0.730 2.178 -13.313 1.00 15.04 N ATOM 1101 CA GLU A 118 1.601 1.645 -12.271 1.00 16.79 C ATOM 1102 C GLU A 118 2.577 2.719 -11.797 1.00 17.36 C ATOM 1103 O GLU A 118 2.844 2.856 -10.598 1.00 17.86 O ATOM 1104 CB GLU A 118 2.346 0.413 -12.784 1.00 19.80 C ATOM 1105 CG GLU A 118 3.403 -0.140 -11.837 1.00 23.36 C ATOM 1106 CD GLU A 118 4.374 -1.092 -12.532 1.00 61.47 C ATOM 1107 OE1 GLU A 118 4.376 -1.156 -13.787 1.00 47.18 O ATOM 1108 OE2 GLU A 118 5.140 -1.776 -11.819 1.00 69.98 O ATOM 1109 H GLU A 118 0.786 1.778 -14.272 1.00 0.00 H ATOM 1110 N LEU A 119 3.079 3.514 -12.736 1.00 15.08 N ATOM 1111 CA LEU A 119 3.988 4.594 -12.395 1.00 14.33 C ATOM 1112 C LEU A 119 3.314 5.604 -11.472 1.00 16.62 C ATOM 1113 O LEU A 119 3.935 6.096 -10.521 1.00 14.85 O ATOM 1114 CB LEU A 119 4.481 5.294 -13.654 1.00 11.48 C ATOM 1115 CG LEU A 119 5.390 6.512 -13.454 1.00 14.61 C ATOM 1116 CD1 LEU A 119 6.721 6.127 -12.813 1.00 15.62 C ATOM 1117 CD2 LEU A 119 5.621 7.218 -14.793 1.00 14.18 C ATOM 1118 H LEU A 119 2.817 3.360 -13.731 1.00 0.00 H ATOM 1119 N LEU A 120 2.050 5.917 -11.754 1.00 15.02 N ATOM 1120 CA LEU A 120 1.340 6.911 -10.964 1.00 13.58 C ATOM 1121 C LEU A 120 1.401 6.522 -9.491 1.00 14.42 C ATOM 1122 O LEU A 120 1.723 7.349 -8.639 1.00 15.93 O ATOM 1123 CB LEU A 120 -0.115 7.060 -11.409 1.00 15.68 C ATOM 1124 CG LEU A 120 -0.341 7.742 -12.766 1.00 16.97 C ATOM 1125 CD1 LEU A 120 -1.842 7.772 -13.085 1.00 19.38 C ATOM 1126 CD2 LEU A 120 0.253 9.134 -12.769 1.00 17.03 C ATOM 1127 H LEU A 120 1.567 5.447 -12.546 1.00 0.00 H ATOM 1128 N ASN A 121 1.146 5.256 -9.190 1.00 16.10 N ATOM 1129 CA ASN A 121 1.089 4.886 -7.780 1.00 23.57 C ATOM 1130 C ASN A 121 2.435 4.498 -7.171 1.00 19.71 C ATOM 1131 O ASN A 121 2.535 4.295 -5.963 1.00 22.20 O ATOM 1132 CB ASN A 121 0.096 3.750 -7.559 1.00 36.97 C ATOM 1133 CG ASN A 121 -0.232 3.560 -6.086 1.00 33.21 C ATOM 1134 OD1 ASN A 121 -0.396 4.537 -5.340 1.00 31.06 O ATOM 1135 ND2 ASN A 121 -0.278 2.306 -5.647 1.00 40.02 N ATOM 1136 HD22 ASN A 121 -0.135 1.517 -6.310 1.00 0.00 H ATOM 1137 HD21 ASN A 121 -0.457 2.114 -4.641 1.00 0.00 H ATOM 1138 H ASN A 121 0.991 4.548 -9.936 1.00 0.00 H ATOM 1139 N GLU A 122 3.478 4.422 -7.989 1.00 15.46 N ATOM 1140 CA GLU A 122 4.791 4.055 -7.484 1.00 17.23 C ATOM 1141 C GLU A 122 5.876 4.822 -8.217 1.00 16.54 C ATOM 1142 O GLU A 122 6.447 4.344 -9.199 1.00 17.66 O ATOM 1143 CB GLU A 122 5.024 2.549 -7.600 1.00 23.72 C ATOM 1144 CG GLU A 122 6.366 2.068 -7.031 1.00 27.45 C ATOM 1145 CD GLU A 122 6.555 2.366 -5.539 1.00 36.04 C ATOM 1146 OE1 GLU A 122 5.583 2.754 -4.857 1.00 27.83 O ATOM 1147 OE2 GLU A 122 7.694 2.211 -5.046 1.00 38.16 O ATOM 1148 H GLU A 122 3.355 4.627 -9.001 1.00 0.00 H ATOM 1149 N PRO A 123 6.154 6.029 -7.737 1.00 17.14 N ATOM 1150 CA PRO A 123 7.177 6.862 -8.367 1.00 19.32 C ATOM 1151 C PRO A 123 8.566 6.227 -8.382 1.00 22.45 C ATOM 1152 O PRO A 123 8.906 5.388 -7.538 1.00 22.11 O ATOM 1153 CB PRO A 123 7.166 8.128 -7.502 1.00 18.41 C ATOM 1154 CG PRO A 123 5.775 8.201 -6.980 1.00 18.41 C ATOM 1155 CD PRO A 123 5.429 6.758 -6.682 1.00 16.82 C ATOM 1156 N ASN A 124 9.349 6.625 -9.377 1.00 19.16 N ATOM 1157 CA ASN A 124 10.744 6.216 -9.489 1.00 17.42 C ATOM 1158 C ASN A 124 11.645 7.346 -8.997 1.00 23.92 C ATOM 1159 O ASN A 124 11.878 8.310 -9.719 1.00 22.07 O ATOM 1160 CB ASN A 124 11.095 5.847 -10.940 1.00 19.55 C ATOM 1161 CG ASN A 124 10.393 4.582 -11.420 1.00 21.42 C ATOM 1162 OD1 ASN A 124 10.308 3.589 -10.694 1.00 25.68 O ATOM 1163 ND2 ASN A 124 9.896 4.611 -12.657 1.00 18.40 N ATOM 1164 HD22 ASN A 124 9.990 5.470 -13.235 1.00 0.00 H ATOM 1165 HD21 ASN A 124 9.414 3.774 -13.044 1.00 0.00 H ATOM 1166 H ASN A 124 8.952 7.253 -10.105 1.00 0.00 H ATOM 1167 N ILE A 125 12.156 7.231 -7.775 1.00 20.30 N ATOM 1168 CA ILE A 125 12.937 8.328 -7.196 1.00 22.50 C ATOM 1169 C ILE A 125 14.282 8.544 -7.873 1.00 29.19 C ATOM 1170 O ILE A 125 14.951 9.545 -7.622 1.00 29.93 O ATOM 1171 CB ILE A 125 13.184 8.123 -5.685 1.00 32.50 C ATOM 1172 CG1 ILE A 125 13.967 6.834 -5.435 1.00 35.73 C ATOM 1173 CG2 ILE A 125 11.870 8.126 -4.934 1.00 35.95 C ATOM 1174 CD1 ILE A 125 14.348 6.631 -3.982 1.00 46.63 C ATOM 1175 H ILE A 125 12.001 6.360 -7.228 1.00 0.00 H ATOM 1176 N GLN A 126 14.674 7.601 -8.724 1.00 26.74 N ATOM 1177 CA GLN A 126 15.900 7.731 -9.499 1.00 32.29 C ATOM 1178 C GLN A 126 15.731 8.742 -10.630 1.00 34.30 C ATOM 1179 O GLN A 126 16.693 9.381 -11.052 1.00 37.95 O ATOM 1180 CB GLN A 126 16.321 6.376 -10.080 1.00 34.44 C ATOM 1181 CG GLN A 126 15.312 5.786 -11.060 1.00 36.84 C ATOM 1182 CD GLN A 126 15.878 4.643 -11.883 1.00 43.11 C ATOM 1183 OE1 GLN A 126 17.009 4.206 -11.667 1.00 45.95 O ATOM 1184 NE2 GLN A 126 15.090 4.155 -12.837 1.00 36.06 N ATOM 1185 HE22 GLN A 126 14.142 4.556 -12.984 1.00 0.00 H ATOM 1186 HE21 GLN A 126 15.422 3.373 -13.436 1.00 0.00 H ATOM 1187 H GLN A 126 14.090 6.748 -8.839 1.00 0.00 H ATOM 1188 N ASP A 127 14.498 8.886 -11.108 1.00 30.25 N ATOM 1189 CA ASP A 127 14.213 9.671 -12.315 1.00 32.60 C ATOM 1190 C ASP A 127 13.331 10.882 -12.070 1.00 24.80 C ATOM 1191 O ASP A 127 12.237 10.961 -12.634 1.00 30.65 O ATOM 1192 CB ASP A 127 13.524 8.794 -13.371 1.00 36.11 C ATOM 1193 CG ASP A 127 14.447 7.757 -13.970 1.00 49.89 C ATOM 1194 OD1 ASP A 127 15.668 8.012 -14.049 1.00 60.12 O ATOM 1195 OD2 ASP A 127 13.945 6.684 -14.370 1.00 64.30 O ATOM 1196 H ASP A 127 13.709 8.427 -10.610 1.00 0.00 H ATOM 1197 N PRO A 128 13.783 11.838 -11.238 1.00 18.65 N ATOM 1198 CA PRO A 128 12.880 12.964 -11.015 1.00 18.63 C ATOM 1199 C PRO A 128 12.675 13.772 -12.286 1.00 20.27 C ATOM 1200 O PRO A 128 13.645 14.067 -12.984 1.00 20.05 O ATOM 1201 CB PRO A 128 13.601 13.788 -9.940 1.00 24.33 C ATOM 1202 CG PRO A 128 15.021 13.450 -10.101 1.00 31.34 C ATOM 1203 CD PRO A 128 15.072 12.021 -10.555 1.00 29.27 C ATOM 1204 N ALA A 129 11.421 14.094 -12.585 1.00 15.20 N ATOM 1205 CA ALA A 129 11.071 14.912 -13.749 1.00 14.34 C ATOM 1206 C ALA A 129 10.535 16.282 -13.350 1.00 16.45 C ATOM 1207 O ALA A 129 10.532 17.212 -14.155 1.00 19.69 O ATOM 1208 CB ALA A 129 10.057 14.188 -14.606 1.00 16.23 C ATOM 1209 H ALA A 129 10.657 13.752 -11.968 1.00 0.00 H ATOM 1210 N GLN A 130 10.050 16.415 -12.123 1.00 16.59 N ATOM 1211 CA GLN A 130 9.636 17.723 -11.650 1.00 17.22 C ATOM 1212 C GLN A 130 10.026 17.921 -10.195 1.00 22.29 C ATOM 1213 O GLN A 130 9.841 17.043 -9.347 1.00 24.27 O ATOM 1214 CB GLN A 130 8.139 17.938 -11.842 1.00 23.59 C ATOM 1215 CG GLN A 130 7.264 16.999 -11.078 1.00 19.25 C ATOM 1216 CD GLN A 130 5.849 17.547 -10.894 1.00 25.49 C ATOM 1217 OE1 GLN A 130 5.542 18.178 -9.875 1.00 27.43 O ATOM 1218 NE2 GLN A 130 4.984 17.306 -11.875 1.00 16.67 N ATOM 1219 HE22 GLN A 130 5.285 16.771 -12.714 1.00 0.00 H ATOM 1220 HE21 GLN A 130 4.006 17.653 -11.803 1.00 0.00 H ATOM 1221 H GLN A 130 9.967 15.585 -11.502 1.00 0.00 H ATOM 1222 N ALA A 131 10.572 19.096 -9.921 1.00 21.77 N ATOM 1223 CA ALA A 131 11.170 19.381 -8.627 1.00 18.41 C ATOM 1224 C ALA A 131 10.185 19.305 -7.462 1.00 18.97 C ATOM 1225 O ALA A 131 10.488 18.700 -6.434 1.00 21.96 O ATOM 1226 CB ALA A 131 11.817 20.745 -8.665 1.00 22.47 C ATOM 1227 H ALA A 131 10.573 19.836 -10.652 1.00 0.00 H ATOM 1228 N GLU A 132 9.008 19.900 -7.625 1.00 23.13 N ATOM 1229 CA GLU A 132 8.085 20.029 -6.495 1.00 21.91 C ATOM 1230 C GLU A 132 7.577 18.687 -5.987 1.00 20.78 C ATOM 1231 O GLU A 132 7.745 18.368 -4.815 1.00 19.21 O ATOM 1232 CB GLU A 132 6.891 20.914 -6.862 1.00 32.68 C ATOM 1233 CG GLU A 132 6.197 21.500 -5.636 1.00 33.01 C ATOM 1234 CD GLU A 132 4.733 21.820 -5.870 1.00 47.55 C ATOM 1235 OE1 GLU A 132 4.226 21.547 -6.980 1.00 44.39 O ATOM 1236 OE2 GLU A 132 4.088 22.342 -4.934 1.00 58.91 O ATOM 1237 H GLU A 132 8.741 20.275 -8.558 1.00 0.00 H ATOM 1238 N ALA A 133 6.963 17.894 -6.861 1.00 19.68 N ATOM 1239 CA ALA A 133 6.415 16.616 -6.426 1.00 18.47 C ATOM 1240 C ALA A 133 7.509 15.680 -5.914 1.00 16.23 C ATOM 1241 O ALA A 133 7.296 14.926 -4.967 1.00 16.80 O ATOM 1242 CB ALA A 133 5.637 15.952 -7.563 1.00 17.91 C ATOM 1243 H ALA A 133 6.874 18.186 -7.855 1.00 0.00 H ATOM 1244 N TYR A 134 8.673 15.710 -6.553 1.00 16.22 N ATOM 1245 CA TYR A 134 9.793 14.895 -6.105 1.00 17.56 C ATOM 1246 C TYR A 134 10.249 15.296 -4.701 1.00 18.86 C ATOM 1247 O TYR A 134 10.417 14.444 -3.832 1.00 19.59 O ATOM 1248 CB TYR A 134 10.957 15.009 -7.077 1.00 21.11 C ATOM 1249 CG TYR A 134 12.172 14.242 -6.638 1.00 23.02 C ATOM 1250 CD1 TYR A 134 12.243 12.869 -6.819 1.00 30.85 C ATOM 1251 CD2 TYR A 134 13.255 14.886 -6.064 1.00 29.09 C ATOM 1252 CE1 TYR A 134 13.352 12.155 -6.431 1.00 32.78 C ATOM 1253 CE2 TYR A 134 14.373 14.179 -5.673 1.00 40.13 C ATOM 1254 CZ TYR A 134 14.413 12.813 -5.863 1.00 29.56 C ATOM 1255 OH TYR A 134 15.522 12.095 -5.475 1.00 64.59 O ATOM 1256 HH TYR A 134 15.383 11.137 -5.683 1.00 0.00 H ATOM 1257 H TYR A 134 8.786 16.324 -7.385 1.00 0.00 H ATOM 1258 N THR A 135 10.437 16.596 -4.496 1.00 17.35 N ATOM 1259 CA THR A 135 10.857 17.105 -3.198 1.00 19.32 C ATOM 1260 C THR A 135 9.869 16.717 -2.106 1.00 20.97 C ATOM 1261 O THR A 135 10.268 16.277 -1.030 1.00 20.61 O ATOM 1262 CB THR A 135 11.026 18.629 -3.239 1.00 21.09 C ATOM 1263 OG1 THR A 135 12.088 18.952 -4.151 1.00 29.36 O ATOM 1264 CG2 THR A 135 11.363 19.175 -1.860 1.00 31.39 C ATOM 1265 HG1 THR A 135 11.860 18.615 -5.053 1.00 0.00 H ATOM 1266 H THR A 135 10.281 17.263 -5.279 1.00 0.00 H ATOM 1267 N ILE A 136 8.577 16.850 -2.380 1.00 16.62 N ATOM 1268 CA ILE A 136 7.575 16.510 -1.361 1.00 16.38 C ATOM 1269 C ILE A 136 7.516 15.001 -1.106 1.00 19.54 C ATOM 1270 O ILE A 136 7.379 14.552 0.035 1.00 18.57 O ATOM 1271 CB ILE A 136 6.190 17.037 -1.755 1.00 16.58 C ATOM 1272 CG1 ILE A 136 6.255 18.559 -1.891 1.00 17.89 C ATOM 1273 CG2 ILE A 136 5.146 16.652 -0.705 1.00 19.11 C ATOM 1274 CD1 ILE A 136 4.975 19.201 -2.345 1.00 18.40 C ATOM 1275 H ILE A 136 8.275 17.194 -3.314 1.00 0.00 H ATOM 1276 N TYR A 137 7.643 14.213 -2.167 1.00 16.06 N ATOM 1277 CA TYR A 137 7.660 12.766 -2.034 1.00 17.77 C ATOM 1278 C TYR A 137 8.774 12.322 -1.097 1.00 18.11 C ATOM 1279 O TYR A 137 8.578 11.437 -0.263 1.00 22.78 O ATOM 1280 CB TYR A 137 7.832 12.112 -3.415 1.00 15.28 C ATOM 1281 CG TYR A 137 7.693 10.618 -3.408 1.00 16.40 C ATOM 1282 CD1 TYR A 137 6.438 10.022 -3.336 1.00 17.33 C ATOM 1283 CD2 TYR A 137 8.805 9.799 -3.478 1.00 24.13 C ATOM 1284 CE1 TYR A 137 6.297 8.653 -3.335 1.00 20.85 C ATOM 1285 CE2 TYR A 137 8.673 8.417 -3.475 1.00 25.29 C ATOM 1286 CZ TYR A 137 7.415 7.854 -3.405 1.00 23.39 C ATOM 1287 OH TYR A 137 7.267 6.482 -3.397 1.00 29.74 O ATOM 1288 HH TYR A 137 7.650 6.105 -4.228 1.00 0.00 H ATOM 1289 H TYR A 137 7.732 14.639 -3.111 1.00 0.00 H ATOM 1290 N CYS A 138 9.931 12.960 -1.217 1.00 20.01 N ATOM 1291 CA CYS A 138 11.096 12.602 -0.415 1.00 26.67 C ATOM 1292 C CYS A 138 11.007 13.120 1.017 1.00 22.66 C ATOM 1293 O CYS A 138 11.412 12.434 1.957 1.00 28.00 O ATOM 1294 CB CYS A 138 12.372 13.134 -1.060 1.00 22.65 C ATOM 1295 SG CYS A 138 12.792 12.322 -2.644 1.00 28.90 S ATOM 1296 H CYS A 138 10.010 13.738 -1.903 1.00 0.00 H ATOM 1297 N GLN A 139 10.473 14.326 1.176 1.00 21.53 N ATOM 1298 CA GLN A 139 10.489 15.003 2.480 1.00 21.84 C ATOM 1299 C GLN A 139 9.309 14.672 3.388 1.00 28.23 C ATOM 1300 O GLN A 139 9.440 14.687 4.616 1.00 25.39 O ATOM 1301 CB GLN A 139 10.539 16.518 2.279 1.00 24.67 C ATOM 1302 CG GLN A 139 11.864 17.038 1.740 1.00 26.02 C ATOM 1303 CD GLN A 139 11.859 18.540 1.535 1.00 35.15 C ATOM 1304 OE1 GLN A 139 10.818 19.186 1.631 1.00 33.43 O ATOM 1305 NE2 GLN A 139 13.025 19.102 1.244 1.00 42.68 N ATOM 1306 HE22 GLN A 139 13.881 18.516 1.173 1.00 0.00 H ATOM 1307 HE21 GLN A 139 13.083 20.128 1.087 1.00 0.00 H ATOM 1308 H GLN A 139 10.035 14.801 0.361 1.00 0.00 H ATOM 1309 N ASN A 140 8.152 14.404 2.799 1.00 19.32 N ATOM 1310 CA ASN A 140 6.935 14.199 3.584 1.00 21.19 C ATOM 1311 C ASN A 140 5.922 13.385 2.801 1.00 21.61 C ATOM 1312 O ASN A 140 5.122 13.940 2.046 1.00 20.71 O ATOM 1313 CB ASN A 140 6.333 15.549 3.989 1.00 21.42 C ATOM 1314 CG ASN A 140 5.228 15.426 5.042 1.00 24.54 C ATOM 1315 OD1 ASN A 140 4.539 14.407 5.149 1.00 20.44 O ATOM 1316 ND2 ASN A 140 5.042 16.495 5.808 1.00 20.12 N ATOM 1317 HD22 ASN A 140 5.645 17.334 5.686 1.00 0.00 H ATOM 1318 HD21 ASN A 140 4.294 16.493 6.530 1.00 0.00 H ATOM 1319 H ASN A 140 8.109 14.338 1.762 1.00 0.00 H ATOM 1320 N ARG A 141 5.952 12.072 2.988 1.00 21.04 N ATOM 1321 CA ARG A 141 5.068 11.187 2.249 1.00 24.26 C ATOM 1322 C ARG A 141 3.595 11.419 2.584 1.00 23.15 C ATOM 1323 O ARG A 141 2.729 11.231 1.735 1.00 26.18 O ATOM 1324 CB ARG A 141 5.449 9.727 2.501 1.00 28.38 C ATOM 1325 CG ARG A 141 4.845 8.748 1.506 1.00 31.06 C ATOM 1326 CD ARG A 141 5.409 8.952 0.091 1.00 30.44 C ATOM 1327 NE ARG A 141 6.863 9.099 0.081 1.00 25.25 N ATOM 1328 CZ ARG A 141 7.723 8.083 0.082 1.00 35.05 C ATOM 1329 NH1 ARG A 141 7.280 6.831 0.092 1.00 31.38 N ATOM 1330 NH2 ARG A 141 9.029 8.319 0.078 1.00 36.45 N ATOM 1331 HE ARG A 141 7.252 10.063 0.073 1.00 0.00 H ATOM 1332 HH12 ARG A 141 7.956 6.040 0.093 1.00 0.00 H ATOM 1333 HH11 ARG A 141 6.257 6.641 0.099 1.00 0.00 H ATOM 1334 HH22 ARG A 141 9.701 7.525 0.079 1.00 0.00 H ATOM 1335 HH21 ARG A 141 9.381 9.298 0.074 1.00 0.00 H ATOM 1336 H ARG A 141 6.620 11.669 3.676 1.00 0.00 H ATOM 1337 N VAL A 142 3.295 11.829 3.815 1.00 22.94 N ATOM 1338 CA VAL A 142 1.906 12.084 4.182 1.00 23.56 C ATOM 1339 C VAL A 142 1.362 13.299 3.427 1.00 22.96 C ATOM 1340 O VAL A 142 0.233 13.279 2.929 1.00 25.13 O ATOM 1341 CB VAL A 142 1.746 12.302 5.708 1.00 29.68 C ATOM 1342 CG1 VAL A 142 0.349 12.807 6.028 1.00 30.08 C ATOM 1343 CG2 VAL A 142 2.050 11.008 6.465 1.00 32.45 C ATOM 1344 H VAL A 142 4.051 11.968 4.515 1.00 0.00 H ATOM 1345 N GLU A 143 2.178 14.344 3.328 1.00 19.90 N ATOM 1346 CA GLU A 143 1.826 15.531 2.560 1.00 17.61 C ATOM 1347 C GLU A 143 1.705 15.186 1.072 1.00 20.41 C ATOM 1348 O GLU A 143 0.789 15.644 0.391 1.00 19.30 O ATOM 1349 CB GLU A 143 2.867 16.632 2.764 1.00 19.88 C ATOM 1350 CG GLU A 143 2.643 17.889 1.950 1.00 21.83 C ATOM 1351 CD GLU A 143 1.404 18.666 2.371 1.00 30.39 C ATOM 1352 OE1 GLU A 143 0.822 18.356 3.440 1.00 27.22 O ATOM 1353 OE2 GLU A 143 1.016 19.596 1.629 1.00 28.57 O ATOM 1354 H GLU A 143 3.097 14.313 3.814 1.00 0.00 H ATOM 1355 N TYR A 144 2.633 14.376 0.584 1.00 19.99 N ATOM 1356 CA TYR A 144 2.577 13.929 -0.808 1.00 17.51 C ATOM 1357 C TYR A 144 1.225 13.286 -1.143 1.00 20.92 C ATOM 1358 O TYR A 144 0.587 13.661 -2.129 1.00 18.78 O ATOM 1359 CB TYR A 144 3.711 12.952 -1.100 1.00 17.48 C ATOM 1360 CG TYR A 144 3.641 12.395 -2.502 1.00 15.79 C ATOM 1361 CD1 TYR A 144 4.064 13.151 -3.578 1.00 19.00 C ATOM 1362 CD2 TYR A 144 3.127 11.125 -2.738 1.00 16.01 C ATOM 1363 CE1 TYR A 144 3.995 12.645 -4.870 1.00 16.16 C ATOM 1364 CE2 TYR A 144 3.047 10.613 -4.023 1.00 18.71 C ATOM 1365 CZ TYR A 144 3.482 11.386 -5.078 1.00 18.88 C ATOM 1366 OH TYR A 144 3.401 10.881 -6.349 1.00 16.86 O ATOM 1367 HH TYR A 144 3.940 10.053 -6.409 1.00 0.00 H ATOM 1368 H TYR A 144 3.409 14.055 1.197 1.00 0.00 H ATOM 1369 N GLU A 145 0.779 12.338 -0.316 1.00 20.02 N ATOM 1370 CA GLU A 145 -0.493 11.658 -0.573 1.00 18.75 C ATOM 1371 C GLU A 145 -1.683 12.589 -0.447 1.00 18.49 C ATOM 1372 O GLU A 145 -2.674 12.451 -1.161 1.00 20.87 O ATOM 1373 CB GLU A 145 -0.666 10.461 0.356 1.00 23.77 C ATOM 1374 CG GLU A 145 0.398 9.428 0.164 1.00 24.89 C ATOM 1375 CD GLU A 145 -0.022 8.056 0.636 1.00 50.95 C ATOM 1376 OE1 GLU A 145 -0.983 7.958 1.435 1.00 45.57 O ATOM 1377 OE2 GLU A 145 0.614 7.074 0.198 1.00 45.01 O ATOM 1378 H GLU A 145 1.341 12.079 0.520 1.00 0.00 H ATOM 1379 N LYS A 146 -1.598 13.543 0.473 1.00 19.00 N ATOM 1380 CA LYS A 146 -2.638 14.549 0.588 1.00 21.26 C ATOM 1381 C LYS A 146 -2.806 15.337 -0.720 1.00 17.91 C ATOM 1382 O LYS A 146 -3.924 15.568 -1.193 1.00 19.97 O ATOM 1383 CB LYS A 146 -2.313 15.481 1.755 1.00 21.98 C ATOM 1384 CG LYS A 146 -3.237 16.655 1.897 1.00 30.40 C ATOM 1385 CD LYS A 146 -2.900 17.400 3.175 1.00 27.10 C ATOM 1386 CE LYS A 146 -3.414 18.821 3.146 1.00 32.93 C ATOM 1387 NZ LYS A 146 -2.988 19.538 4.391 1.00 31.03 N ATOM 1388 HZ1 LYS A 146 -3.376 19.047 5.222 1.00 0.00 H ATOM 1389 HZ2 LYS A 146 -1.949 19.548 4.446 1.00 0.00 H ATOM 1390 HZ3 LYS A 146 -3.344 20.515 4.366 1.00 0.00 H ATOM 1391 H LYS A 146 -0.781 13.569 1.115 1.00 0.00 H ATOM 1392 N ARG A 147 -1.684 15.728 -1.315 1.00 18.76 N ATOM 1393 CA ARG A 147 -1.709 16.420 -2.601 1.00 21.38 C ATOM 1394 C ARG A 147 -2.275 15.521 -3.704 1.00 13.88 C ATOM 1395 O ARG A 147 -3.065 15.978 -4.535 1.00 16.29 O ATOM 1396 CB ARG A 147 -0.306 16.898 -2.975 1.00 18.19 C ATOM 1397 CG ARG A 147 0.255 17.982 -2.071 1.00 23.64 C ATOM 1398 CD ARG A 147 -0.333 19.336 -2.413 1.00 25.37 C ATOM 1399 NE ARG A 147 -0.047 19.765 -3.786 1.00 24.87 N ATOM 1400 CZ ARG A 147 1.049 20.431 -4.155 1.00 32.49 C ATOM 1401 NH1 ARG A 147 1.988 20.727 -3.264 1.00 32.27 N ATOM 1402 NH2 ARG A 147 1.215 20.792 -5.421 1.00 28.80 N ATOM 1403 HE ARG A 147 -0.745 19.535 -4.522 1.00 0.00 H ATOM 1404 HH12 ARG A 147 2.839 21.246 -3.559 1.00 0.00 H ATOM 1405 HH11 ARG A 147 1.872 20.440 -2.271 1.00 0.00 H ATOM 1406 HH22 ARG A 147 2.070 21.311 -5.706 1.00 0.00 H ATOM 1407 HH21 ARG A 147 0.490 20.556 -6.128 1.00 0.00 H ATOM 1408 H ARG A 147 -0.770 15.538 -0.856 1.00 0.00 H ATOM 1409 N VAL A 148 -1.877 14.252 -3.696 1.00 15.83 N ATOM 1410 CA VAL A 148 -2.377 13.300 -4.692 1.00 15.98 C ATOM 1411 C VAL A 148 -3.899 13.111 -4.542 1.00 18.61 C ATOM 1412 O VAL A 148 -4.619 13.098 -5.536 1.00 18.38 O ATOM 1413 CB VAL A 148 -1.652 11.948 -4.601 1.00 17.76 C ATOM 1414 CG1 VAL A 148 -2.331 10.920 -5.486 1.00 17.53 C ATOM 1415 CG2 VAL A 148 -0.189 12.090 -5.014 1.00 20.42 C ATOM 1416 H VAL A 148 -1.202 13.931 -2.973 1.00 0.00 H ATOM 1417 N ARG A 149 -4.414 13.018 -3.312 1.00 17.59 N ATOM 1418 CA ARG A 149 -5.851 12.832 -3.130 1.00 17.89 C ATOM 1419 C ARG A 149 -6.641 14.049 -3.599 1.00 16.21 C ATOM 1420 O ARG A 149 -7.703 13.911 -4.202 1.00 19.73 O ATOM 1421 CB ARG A 149 -6.185 12.530 -1.662 1.00 16.53 C ATOM 1422 CG ARG A 149 -5.664 11.186 -1.158 1.00 18.09 C ATOM 1423 CD ARG A 149 -6.290 10.818 0.197 1.00 22.08 C ATOM 1424 NE ARG A 149 -6.317 11.963 1.102 1.00 26.56 N ATOM 1425 CZ ARG A 149 -5.356 12.260 1.969 1.00 18.37 C ATOM 1426 NH1 ARG A 149 -4.283 11.492 2.066 1.00 24.79 N ATOM 1427 NH2 ARG A 149 -5.472 13.328 2.745 1.00 29.75 N ATOM 1428 HE ARG A 149 -7.146 12.590 1.065 1.00 0.00 H ATOM 1429 HH12 ARG A 149 -3.533 11.729 2.747 1.00 0.00 H ATOM 1430 HH11 ARG A 149 -4.189 10.651 1.461 1.00 0.00 H ATOM 1431 HH22 ARG A 149 -4.720 13.561 3.424 1.00 0.00 H ATOM 1432 HH21 ARG A 149 -6.315 13.933 2.675 1.00 0.00 H ATOM 1433 H ARG A 149 -3.790 13.078 -2.482 1.00 0.00 H ATOM 1434 N ALA A 150 -6.124 15.249 -3.330 1.00 13.95 N ATOM 1435 CA ALA A 150 -6.782 16.465 -3.779 1.00 18.67 C ATOM 1436 C ALA A 150 -6.843 16.510 -5.306 1.00 18.10 C ATOM 1437 O ALA A 150 -7.862 16.867 -5.895 1.00 21.38 O ATOM 1438 CB ALA A 150 -6.062 17.693 -3.238 1.00 22.21 C ATOM 1439 H ALA A 150 -5.237 15.316 -2.791 1.00 0.00 H ATOM 1440 N GLN A 151 -5.739 16.129 -5.938 1.00 19.81 N ATOM 1441 CA GLN A 151 -5.677 16.073 -7.388 1.00 20.03 C ATOM 1442 C GLN A 151 -6.656 15.051 -7.966 1.00 19.08 C ATOM 1443 O GLN A 151 -7.294 15.302 -8.992 1.00 18.68 O ATOM 1444 CB GLN A 151 -4.250 15.758 -7.823 1.00 15.58 C ATOM 1445 CG GLN A 151 -4.068 15.570 -9.326 1.00 15.33 C ATOM 1446 CD GLN A 151 -2.598 15.522 -9.688 1.00 16.10 C ATOM 1447 OE1 GLN A 151 -2.066 16.475 -10.257 1.00 17.21 O ATOM 1448 NE2 GLN A 151 -1.928 14.432 -9.329 1.00 15.20 N ATOM 1449 HE22 GLN A 151 -2.422 13.652 -8.850 1.00 0.00 H ATOM 1450 HE21 GLN A 151 -0.910 14.359 -9.527 1.00 0.00 H ATOM 1451 H GLN A 151 -4.900 15.865 -5.383 1.00 0.00 H ATOM 1452 N ALA A 152 -6.787 13.907 -7.301 1.00 17.80 N ATOM 1453 CA ALA A 152 -7.717 12.883 -7.772 1.00 16.56 C ATOM 1454 C ALA A 152 -9.162 13.380 -7.709 1.00 20.96 C ATOM 1455 O ALA A 152 -9.973 13.100 -8.592 1.00 19.57 O ATOM 1456 CB ALA A 152 -7.560 11.613 -6.970 1.00 16.99 C ATOM 1457 H ALA A 152 -6.225 13.740 -6.442 1.00 0.00 H ATOM 1458 N LYS A 153 -9.486 14.105 -6.646 1.00 19.65 N ATOM 1459 CA LYS A 153 -10.820 14.666 -6.499 1.00 23.43 C ATOM 1460 C LYS A 153 -11.092 15.703 -7.594 1.00 20.76 C ATOM 1461 O LYS A 153 -12.176 15.750 -8.171 1.00 21.33 O ATOM 1462 CB LYS A 153 -10.970 15.274 -5.098 1.00 25.67 C ATOM 1463 CG LYS A 153 -12.346 15.817 -4.778 1.00 39.29 C ATOM 1464 CD LYS A 153 -12.387 16.350 -3.354 1.00 39.49 C ATOM 1465 CE LYS A 153 -13.713 17.034 -3.059 1.00 62.09 C ATOM 1466 NZ LYS A 153 -14.870 16.145 -3.354 1.00 70.66 N ATOM 1467 HZ1 LYS A 153 -14.855 15.880 -4.360 1.00 0.00 H ATOM 1468 HZ2 LYS A 153 -14.806 15.288 -2.768 1.00 0.00 H ATOM 1469 HZ3 LYS A 153 -15.755 16.647 -3.140 1.00 0.00 H ATOM 1470 H LYS A 153 -8.775 14.275 -5.906 1.00 0.00 H ATOM 1471 N LYS A 154 -10.088 16.520 -7.888 1.00 19.52 N ATOM 1472 CA LYS A 154 -10.186 17.520 -8.940 1.00 18.80 C ATOM 1473 C LYS A 154 -10.508 16.889 -10.302 1.00 19.83 C ATOM 1474 O LYS A 154 -11.229 17.466 -11.112 1.00 24.89 O ATOM 1475 CB LYS A 154 -8.883 18.319 -9.015 1.00 24.26 C ATOM 1476 CG LYS A 154 -8.850 19.356 -10.118 1.00 26.02 C ATOM 1477 CD LYS A 154 -7.544 20.143 -10.106 1.00 29.42 C ATOM 1478 CE LYS A 154 -7.549 21.221 -11.178 1.00 37.41 C ATOM 1479 NZ LYS A 154 -6.396 22.149 -11.046 1.00 39.42 N ATOM 1480 HZ1 LYS A 154 -6.433 22.616 -10.117 1.00 0.00 H ATOM 1481 HZ2 LYS A 154 -5.509 21.612 -11.131 1.00 0.00 H ATOM 1482 HZ3 LYS A 154 -6.442 22.866 -11.798 1.00 0.00 H ATOM 1483 H LYS A 154 -9.202 16.443 -7.349 1.00 0.00 H ATOM 1484 N PHE A 155 -9.985 15.691 -10.539 1.00 21.57 N ATOM 1485 CA PHE A 155 -10.199 15.031 -11.821 1.00 20.55 C ATOM 1486 C PHE A 155 -11.152 13.837 -11.735 1.00 22.93 C ATOM 1487 O PHE A 155 -11.099 12.920 -12.558 1.00 23.03 O ATOM 1488 CB PHE A 155 -8.853 14.603 -12.415 1.00 21.50 C ATOM 1489 CG PHE A 155 -7.955 15.763 -12.741 1.00 18.44 C ATOM 1490 CD1 PHE A 155 -8.339 16.700 -13.686 1.00 20.80 C ATOM 1491 CD2 PHE A 155 -6.746 15.929 -12.090 1.00 26.77 C ATOM 1492 CE1 PHE A 155 -7.525 17.779 -13.983 1.00 24.31 C ATOM 1493 CE2 PHE A 155 -5.924 17.008 -12.386 1.00 26.49 C ATOM 1494 CZ PHE A 155 -6.314 17.928 -13.332 1.00 30.36 C ATOM 1495 H PHE A 155 -9.419 15.221 -9.804 1.00 0.00 H ATOM 1496 N ALA A 156 -12.044 13.856 -10.753 1.00 20.32 N ATOM 1497 CA ALA A 156 -13.108 12.863 -10.691 1.00 22.83 C ATOM 1498 C ALA A 156 -14.107 13.107 -11.812 1.00 33.44 C ATOM 1499 O ALA A 156 -14.584 14.228 -11.980 1.00 47.60 O ATOM 1500 CB ALA A 156 -13.803 12.912 -9.345 1.00 28.79 C ATOM 1501 H ALA A 156 -11.983 14.589 -10.018 1.00 0.00 H ATOM 1502 N PRO A 157 -14.429 12.057 -12.584 1.00 31.76 N ATOM 1503 CA PRO A 157 -15.362 12.191 -13.711 1.00 44.86 C ATOM 1504 C PRO A 157 -16.769 12.579 -13.268 1.00 39.59 C ATOM 1505 O PRO A 157 -17.142 12.304 -12.125 1.00 41.50 O ATOM 1506 CB PRO A 157 -15.354 10.793 -14.343 1.00 40.63 C ATOM 1507 CG PRO A 157 -14.888 9.884 -13.267 1.00 36.24 C ATOM 1508 CD PRO A 157 -13.921 10.682 -12.447 1.00 29.75 C TER 1509 PRO A 157 HETATM 1510 O HOH 1 -16.955 11.025 -10.276 1.00 45.98 O HETATM 1511 O HOH 2 5.882 5.050 -0.115 1.00 47.52 O HETATM 1512 O HOH 3 9.572 1.373 -17.509 1.00 21.04 O HETATM 1513 O HOH 4 -5.872 18.267 -24.388 1.00 42.31 O HETATM 1514 O HOH 5 4.091 17.391 -27.986 1.00 40.81 O HETATM 1515 O HOH 6 1.571 -4.600 -37.983 1.00 38.14 O HETATM 1516 O HOH 7 7.252 18.180 -25.129 1.00 23.42 O HETATM 1517 O HOH 8 12.680 -7.713 -27.231 1.00 34.21 O HETATM 1518 O HOH 9 9.412 -4.337 -21.071 1.00 46.36 O HETATM 1519 O HOH 10 13.052 8.259 -34.111 1.00 47.04 O HETATM 1520 O HOH 11 -5.867 7.087 0.096 1.00 36.34 O HETATM 1521 O HOH 12 -10.476 -6.291 -20.138 1.00 45.68 O HETATM 1522 O HOH 13 -13.496 2.622 -20.832 1.00 43.57 O HETATM 1523 O HOH 14 7.842 0.565 -3.078 1.00 41.04 O HETATM 1524 O HOH 15 13.130 11.704 -19.525 1.00 40.83 O HETATM 1525 O HOH 16 -8.557 16.011 -30.710 1.00 32.71 O HETATM 1526 O HOH 17 7.321 2.367 -10.616 1.00 27.94 O HETATM 1527 O HOH 18 14.286 -4.566 -23.083 1.00 45.42 O HETATM 1528 O HOH 19 5.989 -6.944 -24.703 1.00 43.81 O HETATM 1529 O HOH 20 0.586 -1.340 -44.869 1.00 48.32 O HETATM 1530 O HOH 21 8.601 4.906 -4.997 1.00 34.44 O HETATM 1531 O HOH 22 -11.744 20.968 -39.645 1.00 42.31 O HETATM 1532 O HOH 23 -13.132 0.856 -37.339 1.00 53.25 O HETATM 1533 O HOH 24 2.061 7.752 -1.865 1.00 36.62 O HETATM 1534 O HOH 25 8.081 8.721 -25.005 1.00 20.76 O HETATM 1535 O HOH 26 2.380 8.338 -6.310 1.00 19.73 O HETATM 1536 O HOH 27 -2.180 20.985 -14.159 1.00 38.46 O HETATM 1537 O HOH 28 -10.531 4.957 -9.428 1.00 27.67 O HETATM 1538 O HOH 29 11.452 -3.625 -22.263 1.00 31.17 O HETATM 1539 O HOH 30 13.163 0.130 -31.386 1.00 14.53 O HETATM 1540 O HOH 31 -4.490 4.150 -0.327 1.00 38.03 O HETATM 1541 O HOH 32 11.249 -0.925 -17.650 1.00 29.89 O HETATM 1542 O HOH 33 3.958 -7.057 -26.253 1.00 29.20 O HETATM 1543 O HOH 34 -1.005 -6.188 -24.520 1.00 30.03 O HETATM 1544 O HOH 35 -0.145 -5.098 -30.968 1.00 36.09 O HETATM 1545 O HOH 36 19.907 9.377 -27.556 1.00 48.21 O HETATM 1546 O HOH 37 -5.946 14.714 -34.854 1.00 25.12 O HETATM 1547 O HOH 38 3.433 -2.473 -39.209 1.00 26.90 O HETATM 1548 O HOH 39 13.328 5.003 -34.497 1.00 20.98 O HETATM 1549 O HOH 40 -2.030 11.929 3.440 1.00 30.86 O HETATM 1550 O HOH 41 10.926 21.195 3.397 1.00 35.50 O HETATM 1551 O HOH 42 -8.456 -1.348 -36.503 1.00 28.47 O HETATM 1552 O HOH 43 -1.480 20.181 0.835 1.00 40.22 O HETATM 1553 O HOH 44 2.347 0.425 -28.734 1.00 16.25 O HETATM 1554 O HOH 45 -8.359 9.454 -4.041 1.00 22.06 O HETATM 1555 O HOH 46 -2.977 18.582 -5.217 1.00 25.46 O HETATM 1556 O HOH 47 -1.372 -0.761 -13.836 1.00 21.80 O HETATM 1557 O HOH 48 1.108 20.345 -25.933 1.00 54.25 O HETATM 1558 O HOH 49 2.368 20.711 -0.425 1.00 33.94 O HETATM 1559 O HOH 50 10.213 6.747 -14.280 1.00 19.70 O HETATM 1560 O HOH 51 3.421 18.112 -14.508 1.00 24.73 O HETATM 1561 O HOH 52 -8.931 -1.353 -14.492 1.00 27.05 O HETATM 1562 O HOH 53 10.044 1.389 -6.134 1.00 48.64 O HETATM 1563 O HOH 54 13.423 7.168 -38.052 1.00 29.75 O HETATM 1564 O HOH 55 -10.451 2.644 -29.465 1.00 23.23 O HETATM 1565 O HOH 56 -11.757 -5.389 -32.252 1.00 29.47 O HETATM 1566 O HOH 57 -11.118 -1.484 -35.089 1.00 43.76 O HETATM 1567 O HOH 58 -11.369 6.521 -11.630 1.00 34.77 O HETATM 1568 O HOH 59 -3.433 -3.528 -39.659 1.00 30.14 O HETATM 1569 O HOH 60 -16.482 14.084 -34.389 1.00 24.37 O HETATM 1570 O HOH 61 7.231 2.867 -39.087 1.00 25.37 O HETATM 1571 O HOH 62 2.768 -2.611 -18.592 1.00 25.91 O HETATM 1572 O HOH 63 -0.049 19.095 -20.927 1.00 29.45 O HETATM 1573 O HOH 64 -9.429 18.921 -4.968 1.00 26.17 O HETATM 1574 O HOH 65 -4.954 -1.985 -13.316 1.00 33.72 O HETATM 1575 O HOH 66 11.412 19.757 -14.726 1.00 19.30 O HETATM 1576 O HOH 67 7.788 3.817 -42.038 1.00 35.61 O HETATM 1577 O HOH 68 11.920 15.166 5.723 1.00 35.23 O HETATM 1578 O HOH 69 -11.273 13.679 -15.343 1.00 46.75 O HETATM 1579 O HOH 70 2.737 -6.469 -30.153 1.00 28.09 O HETATM 1580 O HOH 71 -7.116 -7.843 -27.663 1.00 34.89 O HETATM 1581 O HOH 72 -5.759 -6.072 -25.862 1.00 37.40 O HETATM 1582 O HOH 73 -7.374 12.369 -45.223 1.00 46.55 O HETATM 1583 O HOH 74 0.362 16.592 5.517 1.00 25.52 O HETATM 1584 O HOH 75 5.560 1.195 -14.832 1.00 19.47 O HETATM 1585 O HOH 76 -5.218 -6.694 -33.523 1.00 29.89 O HETATM 1586 O HOH 77 -3.107 19.044 -10.388 1.00 34.63 O HETATM 1587 O HOH 78 2.758 22.421 -15.174 1.00 29.85 O HETATM 1588 O HOH 79 -9.512 11.914 -3.500 1.00 31.32 O HETATM 1589 O HOH 80 -3.994 12.492 -8.181 1.00 17.59 O HETATM 1590 O HOH 81 14.832 14.597 -16.234 1.00 31.17 O HETATM 1591 O HOH 82 -11.714 3.381 -31.772 1.00 25.65 O HETATM 1592 O HOH 83 3.370 11.486 -36.794 1.00 29.05 O HETATM 1593 O HOH 84 6.453 7.029 -32.107 1.00 16.94 O HETATM 1594 O HOH 85 -4.249 14.881 -16.996 1.00 15.83 O HETATM 1595 O HOH 86 -1.130 -5.655 -40.187 1.00 43.03 O HETATM 1596 O HOH 87 4.736 5.231 -3.286 1.00 41.19 O HETATM 1597 O HOH 88 -4.752 7.764 -39.678 1.00 25.14 O HETATM 1598 O HOH 89 4.476 -4.378 -35.386 1.00 22.74 O HETATM 1599 O HOH 90 -7.972 17.561 -20.978 1.00 41.22 O HETATM 1600 O HOH 91 -7.540 0.051 -12.671 1.00 23.32 O HETATM 1601 O HOH 92 16.486 13.843 -12.850 1.00 31.81 O HETATM 1602 O HOH 93 2.541 -7.243 -19.928 1.00 41.76 O HETATM 1603 O HOH 94 -15.740 12.341 -38.893 1.00 26.71 O HETATM 1604 O HOH 95 1.938 8.109 -40.502 1.00 42.17 O HETATM 1605 O HOH 96 11.168 3.796 -15.664 1.00 30.55 O HETATM 1606 O HOH 97 -9.000 17.408 -27.010 1.00 42.65 O HETATM 1607 O HOH 98 -7.636 7.596 -41.879 1.00 36.26 O HETATM 1608 O HOH 99 19.330 6.973 -22.921 1.00 47.03 O HETATM 1609 O HOH 100 6.566 -0.068 -9.990 1.00 36.41 O HETATM 1610 O HOH 101 -10.744 11.088 -29.828 1.00 32.34 O HETATM 1611 O HOH 102 11.534 4.864 -6.244 1.00 36.03 O HETATM 1612 O HOH 103 5.911 2.633 -43.925 1.00 27.05 O HETATM 1613 O HOH 104 -6.853 -9.952 -20.776 1.00 53.46 O HETATM 1614 O HOH 105 -9.163 1.728 -11.525 1.00 29.56 O HETATM 1615 O HOH 106 13.517 2.237 -14.928 1.00 40.94 O HETATM 1616 O HOH 107 -13.289 19.238 -10.087 1.00 47.16 O HETATM 1617 O HOH 108 -10.200 14.851 -32.970 1.00 24.67 O HETATM 1618 O HOH 109 -14.316 0.707 -19.340 1.00 28.61 O HETATM 1619 O HOH 110 -11.060 7.578 -41.527 1.00 34.62 O HETATM 1620 O HOH 111 7.219 11.672 -37.450 1.00 32.81 O HETATM 1621 O HOH 112 -1.568 9.688 3.723 1.00 41.44 O HETATM 1622 O HOH 113 9.836 11.551 -21.480 1.00 36.16 O HETATM 1623 O HOH 114 -14.352 -4.455 -24.996 1.00 45.26 O HETATM 1624 O HOH 115 -1.531 -3.808 -43.481 1.00 51.83 O HETATM 1625 O HOH 116 -9.364 -9.066 -33.268 1.00 50.01 O HETATM 1626 O HOH 117 8.240 21.439 -10.018 1.00 38.49 O HETATM 1627 O HOH 118 -10.472 -4.949 -16.488 1.00 27.62 O HETATM 1628 O HOH 119 18.258 3.964 -31.093 1.00 47.02 O HETATM 1629 O HOH 120 -5.530 23.256 -8.446 1.00 55.56 O HETATM 1630 O HOH 121 4.583 -0.902 -9.043 1.00 48.94 O HETATM 1631 O HOH 122 -1.528 11.960 -39.234 1.00 37.99 O HETATM 1632 O HOH 123 -1.587 15.417 -34.406 1.00 38.18 O HETATM 1633 O HOH 124 -13.532 5.900 -18.007 1.00 35.81 O HETATM 1634 O HOH 125 -11.473 3.247 -25.262 1.00 20.11 O HETATM 1635 O HOH 126 9.909 -6.030 -29.720 1.00 20.59 O HETATM 1636 O HOH 127 12.511 7.935 -30.060 1.00 35.33 O HETATM 1637 O HOH 128 -3.172 17.427 -30.563 1.00 34.99 O HETATM 1638 O HOH 129 6.487 10.205 -22.928 1.00 21.58 O HETATM 1639 O HOH 130 -7.303 16.842 -43.043 1.00 38.33 O HETATM 1640 O HOH 131 11.063 20.789 -12.353 1.00 23.87 O HETATM 1641 O HOH 132 -3.195 4.822 -9.767 1.00 28.32 O HETATM 1642 O HOH 133 10.531 8.838 -20.771 1.00 30.53 O HETATM 1643 O HOH 134 12.936 9.883 1.463 1.00 47.57 O HETATM 1644 O HOH 135 12.977 7.983 -27.327 1.00 20.83 O HETATM 1645 O HOH 136 1.601 10.955 -40.586 1.00 51.90 O HETATM 1646 O HOH 137 -4.371 1.709 -41.132 1.00 37.95 O HETATM 1647 O HOH 138 -3.275 -2.516 -27.049 1.00 30.13 O HETATM 1648 O HOH 139 3.975 -3.728 -9.786 1.00 52.89 O HETATM 1649 O HOH 140 1.472 12.651 -33.827 1.00 35.09 O HETATM 1650 O HOH 141 -0.922 13.919 -36.057 1.00 40.62 O HETATM 1651 O HOH 142 -13.481 9.212 -38.945 1.00 41.02 O HETATM 1652 O HOH 143 -6.845 14.765 -16.126 1.00 28.67 O HETATM 1653 O HOH 144 17.256 10.486 -21.537 1.00 42.04 O HETATM 1654 O HOH 145 9.726 9.239 -37.756 1.00 34.69 O HETATM 1655 O HOH 146 8.896 4.311 -0.687 1.00 46.05 O HETATM 1656 O HOH 147 5.503 14.623 -31.254 1.00 42.71 O HETATM 1657 O HOH 148 -11.282 1.498 -13.234 1.00 26.21 O HETATM 1658 O HOH 149 -3.050 10.634 -40.100 1.00 41.84 O HETATM 1659 O HOH 150 0.740 7.332 -4.484 1.00 27.49 O HETATM 1660 O HOH 151 3.050 6.609 -3.921 1.00 29.84 O HETATM 1661 O HOH 152 19.480 0.594 -26.202 1.00 48.79 O HETATM 1662 O HOH 153 -7.663 -6.132 -20.874 1.00 34.81 O HETATM 1663 O HOH 154 20.259 8.688 -25.328 1.00 58.34 O HETATM 1664 O HOH 155 -1.315 19.915 -7.102 1.00 47.73 O HETATM 1665 O HOH 156 -13.524 5.356 -15.883 1.00 48.45 O HETATM 1666 O HOH 157 -12.844 -4.608 -22.949 1.00 33.37 O HETATM 1667 O HOH 158 -11.606 8.719 -34.799 1.00 40.85 O HETATM 1668 O HOH 159 -13.103 5.295 -32.551 1.00 46.16 O HETATM 1669 O HOH 160 15.976 6.113 -34.874 1.00 40.31 O HETATM 1670 O HOH 161 -11.326 11.265 -5.995 1.00 38.81 O HETATM 1671 O HOH 162 21.170 3.781 -30.068 1.00 48.93 O HETATM 1672 O HOH 163 -0.327 18.981 -27.470 1.00 56.08 O HETATM 1673 O HOH 164 2.326 -2.540 -15.911 1.00 35.25 O HETATM 1674 O HOH 165 7.540 2.371 -13.208 1.00 21.42 O HETATM 1675 O HOH 166 -14.948 -8.534 -27.552 1.00 48.72 O HETATM 1676 O HOH 167 5.502 23.795 -9.094 1.00 53.58 O HETATM 1677 O HOH 168 -14.729 17.553 -6.421 1.00 60.03 O HETATM 1678 O HOH 169 2.766 -1.870 -44.273 1.00 45.87 O HETATM 1679 O HOH 170 9.901 1.767 -14.505 1.00 38.65 O HETATM 1680 O HOH 171 2.692 19.883 -10.616 1.00 44.61 O HETATM 1681 O HOH 172 6.576 -5.704 -32.907 1.00 38.01 O HETATM 1682 O HOH 173 5.468 -8.778 -23.076 1.00 43.63 O HETATM 1683 O HOH 174 9.936 -7.951 -27.748 1.00 29.10 O HETATM 1684 O HOH 175 -13.290 2.738 -23.699 1.00 41.83 O HETATM 1685 O HOH 176 -3.568 17.032 6.719 1.00 35.29 O HETATM 1686 O HOH 177 -14.999 -1.056 -20.515 1.00 44.00 O HETATM 1687 O HOH 178 -3.243 13.007 5.402 1.00 37.83 O HETATM 1688 O HOH 179 -5.147 19.404 -6.974 1.00 37.66 O HETATM 1689 O HOH 180 12.437 8.651 -0.691 1.00 49.30 O HETATM 1690 O HOH 181 -8.344 0.955 -37.328 1.00 36.64 O HETATM 1691 O HOH 182 3.929 6.083 -0.661 1.00 56.32 O HETATM 1692 O HOH 183 1.017 20.199 -12.326 1.00 46.05 O HETATM 1693 O HOH 184 -3.469 20.233 -2.999 1.00 31.67 O HETATM 1694 O HOH 185 1.425 22.279 -20.967 1.00 40.61 O HETATM 1695 O HOH 186 -8.883 15.920 -1.200 1.00 29.44 O HETATM 1696 O HOH 187 -8.286 8.258 -1.449 1.00 38.82 O HETATM 1697 O HOH 188 -13.964 -5.152 -30.929 1.00 43.72 O HETATM 1698 O HOH 189 3.423 20.431 -12.822 1.00 42.33 O HETATM 1699 O HOH 190 12.010 11.105 -21.631 1.00 43.68 O HETATM 1700 O HOH 191 -5.154 19.033 -29.760 1.00 47.78 O HETATM 1701 O HOH 192 -7.252 -8.113 -32.134 1.00 28.80 O HETATM 1702 O HOH 193 -0.691 -7.665 -22.060 1.00 43.00 O HETATM 1703 O HOH 194 1.200 21.104 -9.073 1.00 46.22 O HETATM 1704 O HOH 195 -5.727 -4.599 -38.159 1.00 33.90 O HETATM 1705 O HOH 196 9.943 7.744 -40.519 1.00 42.10 O HETATM 1706 O HOH 197 -14.794 3.991 -28.370 1.00 47.37 O HETATM 1707 O HOH 198 -6.503 16.887 -31.696 1.00 47.77 O HETATM 1708 O HOH 199 -12.672 10.148 -4.656 1.00 44.09 O HETATM 1709 O HOH 200 -11.902 19.346 -6.242 1.00 38.14 O HETATM 1710 O HOH 201 -3.537 0.052 -42.345 1.00 43.99 O HETATM 1711 O HOH 202 -12.818 6.972 -4.739 1.00 43.79 O HETATM 1712 O HOH 203 -13.636 13.760 -16.629 1.00 54.30 O HETATM 1713 O HOH 204 -0.625 -0.631 -11.139 1.00 35.94 O HETATM 1714 O HOH 205 -7.319 20.632 -5.744 1.00 42.34 O HETATM 1715 O HOH 206 10.790 5.377 1.773 1.00 52.69 O HETATM 1716 O HOH 207 -12.005 -7.736 -33.351 1.00 39.12 O HETATM 1717 O HOH 208 -7.803 -10.325 -26.416 1.00 44.75 O HETATM 1718 O HOH 209 -2.843 -8.233 -32.541 1.00 46.07 O HETATM 1719 O HOH 210 -12.168 8.550 -3.176 1.00 48.79 O HETATM 1720 O HOH 211 -12.589 2.542 -27.726 1.00 27.16 O HETATM 1721 O HOH 212 -5.511 -1.215 -10.475 1.00 47.42 O HETATM 1722 O HOH 213 -3.513 19.438 -0.594 1.00 36.42 O HETATM 1723 O HOH 214 -12.746 -3.479 -34.245 1.00 55.78 O HETATM 1724 O HOH 215 5.831 21.890 -11.242 1.00 49.02 O HETATM 1725 O HOH 216 -10.308 18.508 -35.829 1.00 52.27 O HETATM 1726 O HOH 217 -3.400 -5.221 -26.701 1.00 33.81 O HETATM 1727 O HOH 218 -5.072 -7.119 -36.240 1.00 40.70 O HETATM 1728 O HOH 219 -12.602 8.213 -36.859 1.00 39.73 O HETATM 1729 O HOH 220 -14.231 0.218 -27.383 1.00 41.79 O HETATM 1730 O HOH 221 -14.798 5.763 -30.615 1.00 47.84 O HETATM 1731 O HOH 222 -16.010 2.664 -17.920 1.00 41.84 O HETATM 1732 O HOH 223 4.318 -0.819 -45.887 1.00 45.09 O HETATM 1733 O HOH 224 0.640 -3.450 -14.171 1.00 43.41 O HETATM 1734 O HOH 225 -5.873 -5.871 -18.485 1.00 40.28 O HETATM 1735 O HOH 226 -7.236 -11.636 -29.518 1.00 53.56 O HETATM 1736 O HOH 227 -6.053 18.872 0.357 1.00 28.10 O HETATM 1737 O HOH 228 22.067 9.414 -28.365 1.00 47.55 O HETATM 1738 O HOH 229 -10.025 12.233 -1.078 1.00 45.06 O HETATM 1739 O HOH 230 7.640 2.649 1.105 1.00 33.96 O HETATM 1740 O HOH 231 18.715 -3.198 -20.671 1.00 43.89 O HETATM 1741 O HOH 232 21.705 -0.005 -24.219 1.00 47.78 O HETATM 1742 O HOH 233 -13.005 6.482 -13.403 1.00 41.47 O HETATM 1743 O HOH 234 -5.409 5.852 -41.640 1.00 43.66 O HETATM 1744 O HOH 235 -0.914 -5.892 -20.546 1.00 41.95 O HETATM 1745 O HOH 236 -15.029 15.897 -16.980 1.00 54.35 O HETATM 1746 O HOH 237 -16.936 13.593 -41.174 1.00 45.10 O HETATM 1747 O HOH 238 -13.970 21.248 -38.610 1.00 40.57 O HETATM 1748 O HOH 239 -10.783 -2.524 -12.561 1.00 37.81 O HETATM 1749 O HOH 240 12.751 14.261 -34.935 1.00 50.34 O HETATM 1750 O HOH 241 6.800 0.469 -17.214 1.00 23.79 O HETATM 1751 O HOH 242 -14.932 4.554 -19.666 1.00 40.67 O HETATM 1752 O HOH 243 -1.942 15.048 6.382 1.00 31.76 O HETATM 1753 O HOH 244 -1.466 -3.337 -13.374 1.00 39.62 O HETATM 1754 O HOH 245 5.976 -1.902 -17.926 1.00 34.05 O HETATM 1755 O HOH 246 12.685 -5.843 -29.192 1.00 22.75 O HETATM 1756 O HOH 247 6.235 3.671 3.153 1.00 42.47 O HETATM 1757 O HOH 248 1.049 -5.047 -18.853 1.00 33.05 O HETATM 1758 O HOH 249 -9.798 18.735 -2.233 1.00 32.09 O HETATM 1759 O HOH 250 -13.380 2.937 -13.339 1.00 37.22 O HETATM 1760 O HOH 251 6.301 0.234 -46.062 1.00 45.57 O HETATM 1761 O HOH 252 -6.319 -9.109 -29.923 1.00 30.74 O HETATM 1762 O HOH 253 -4.824 -1.963 -41.692 1.00 38.28 O HETATM 1763 O HOH 254 -12.160 19.587 -1.684 1.00 48.79 O HETATM 1764 O HOH 255 0.219 23.188 -15.203 1.00 46.27 O HETATM 1765 O HOH 256 0.990 13.189 -37.391 1.00 54.66 O HETATM 1766 O HOH 257 -6.632 -3.171 -14.866 1.00 35.63 O HETATM 1767 O HOH 258 -8.615 5.400 -42.176 1.00 47.40 O HETATM 1768 O HOH 259 -6.081 -5.062 -16.436 1.00 45.81 O HETATM 1769 O HOH 260 12.788 5.856 -40.763 1.00 51.58 O HETATM 1770 O HOH 261 -0.592 23.900 -17.417 1.00 48.66 O HETATM 1771 O HOH 262 10.541 4.869 4.029 1.00 60.98 O HETATM 1772 O HOH 263 -7.700 1.493 -39.938 1.00 42.23 O HETATM 1773 O HOH 264 -3.384 -8.593 -30.301 1.00 39.39 O HETATM 1774 O HOH 265 0.123 -5.172 -15.802 1.00 46.61 O HETATM 1775 O HOH 266 -7.357 -0.612 -41.032 1.00 50.61 O HETATM 1776 OAA UNN A 267 -12.729 14.551 -24.501 1.00 -0.14 O HETATM 1777 SAP UNN A 267 -11.719 14.547 -23.380 1.00 0.09 S HETATM 1778 OAB UNN A 267 -12.404 15.150 -22.188 1.00 -0.14 O HETATM 1779 CAO UNN A 267 -11.353 12.945 -23.012 1.00 0.12 C HETATM 1780 CAJ UNN A 267 -12.375 12.054 -22.635 1.00 -0.04 C HETATM 1781 CAF UNN A 267 -12.073 10.729 -22.327 1.00 -0.06 C HETATM 1782 CAE UNN A 267 -10.753 10.283 -22.395 1.00 -0.06 C HETATM 1783 CAI UNN A 267 -9.741 11.156 -22.768 1.00 -0.06 C HETATM 1784 CAN UNN A 267 -10.048 12.502 -23.076 1.00 0.00 C HETATM 1785 CAM UNN A 267 -8.967 13.512 -23.494 1.00 0.00 C HETATM 1786 CAH UNN A 267 -7.670 13.013 -23.540 1.00 -0.07 C HETATM 1787 CAD UNN A 267 -6.597 13.878 -23.917 1.00 -0.08 C HETATM 1788 CAC UNN A 267 -6.859 15.288 -24.248 1.00 -0.08 C HETATM 1789 CAG UNN A 267 -8.190 15.800 -24.204 1.00 -0.04 C HETATM 1790 CAL UNN A 267 -9.237 14.971 -23.843 1.00 0.07 C HETATM 1791 NAK UNN A 267 -10.586 15.491 -23.793 1.00 -0.18 N HETATM 1792 H9 UNN A 267 -10.774 16.446 -24.023 1.00 0.22 H HETATM 1793 H8 UNN A 267 -8.381 16.838 -24.453 1.00 0.05 H HETATM 1794 H7 UNN A 267 -6.038 15.939 -24.526 1.00 0.06 H HETATM 1795 H6 UNN A 267 -5.584 13.494 -23.959 1.00 0.05 H HETATM 1796 H5 UNN A 267 -7.474 11.976 -23.292 1.00 0.06 H HETATM 1797 H4 UNN A 267 -8.716 10.807 -22.823 1.00 0.06 H HETATM 1798 H3 UNN A 267 -10.517 9.252 -22.156 1.00 0.06 H HETATM 1799 H2 UNN A 267 -12.863 10.046 -22.035 1.00 0.06 H HETATM 1800 H1 UNN A 267 -13.401 12.400 -22.584 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1776 1777 CONECT 1777 1776 1778 1779 1791 CONECT 1778 1777 CONECT 1779 1777 1780 1784 CONECT 1780 1779 1781 1800 CONECT 1781 1780 1782 1799 CONECT 1782 1781 1783 1798 CONECT 1783 1782 1784 1797 CONECT 1784 1779 1783 1785 CONECT 1785 1784 1786 1790 CONECT 1786 1785 1787 1796 CONECT 1787 1786 1788 1795 CONECT 1788 1787 1789 1794 CONECT 1789 1788 1790 1793 CONECT 1790 1785 1789 1791 CONECT 1791 1777 1790 1792 CONECT 1792 1791 CONECT 1793 1789 CONECT 1794 1788 CONECT 1795 1787 CONECT 1796 1786 CONECT 1797 1783 CONECT 1798 1782 CONECT 1799 1781 CONECT 1800 1780 MASTER 0 0 0 0 0 0 0 0 1799 1 29 12 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5f6d
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2px9
RCSB PDB
PDBbind
158aa, >2PX9_2|Chain... at 100%
5f6u
RCSB PDB
PDBbind
157aa, >5F6U_1|Chain... at 98%
5f6v
RCSB PDB
PDBbind
157aa, >5F6V_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5f6d
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SUMO-conjugating enzyme UBC9 (K48A/K49A/E54A)
Ligand Name
5VJ
EC.Number
E.C.6.3.2
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
IC50>3mM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Angew.Chem.Int.Ed.Engl. Vol. 55: pp. 5703-5707
Ligand Properties
Formula
C
1
2
H
9
NO
2
S
Molecular Weight
231.270
Exact Mass
231.035
No. of atoms
25
No. of bonds
27
Polar Surface Area
54.55
LOGP Value
2.15 (
Computed with XLOGP3
)
3.69 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
Canonical SMILES
O=S1(=O)Nc2ccccc2c2c1cccc2
InChI String
InChI=1S/C12H9NO2S/c14-16(15)12-8-4-2-6-10(12)9-5-1-3-7-11(9)13-16/h1-8,13H
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):
P63279
Entrez Gene ID
NCBI Entrez Gene ID:
7329
ASD
Information of known allosteric effects of PDB entries
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