Browse entries in the PDBbind-CN Database
HEADER 5L87_COMPLEX COMPND 5L87_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 62 SER GLU ARG GLU LYS ARG VAL SER ASN ALA VAL GLU PHE SEQRES 2 A 62 LEU LEU ASP SER ARG VAL ARG ARG THR PRO THR SER SER SEQRES 3 A 62 LYS VAL HIS PHE LEU LYS SER LYS GLY LEU SER ALA GLU SEQRES 4 A 62 GLU ILE CYS GLU ALA PHE THR LYS VAL GLY GLN PRO LYS SEQRES 5 A 62 THR LEU ASN GLU ILE LYS ARG ILE LEU SER HET UNN A 196 62 ATOM 1 N SER A 5 6.054 12.970 -0.385 1.00108.02 N ATOM 2 CA SER A 5 4.803 13.060 0.443 1.00 15.33 C ATOM 3 C SER A 5 5.145 12.651 1.880 1.00 12.80 C ATOM 4 O SER A 5 6.133 11.911 2.115 1.00 12.19 O ATOM 5 CB SER A 5 3.539 12.213 -0.068 1.00 12.40 C ATOM 6 OG SER A 5 3.826 10.836 0.126 1.00 13.14 O ATOM 7 HG SER A 5 3.058 10.293 -0.183 1.00 0.00 H ATOM 8 HN3 SER A 5 6.410 11.993 -0.367 1.00 0.00 H ATOM 9 HN2 SER A 5 6.774 13.610 0.006 1.00 0.00 H ATOM 10 HN1 SER A 5 5.840 13.245 -1.365 1.00 0.00 H ATOM 11 N GLU A 6 4.343 13.101 2.872 1.00 12.77 N ATOM 12 CA GLU A 6 4.520 12.632 4.247 1.00 10.79 C ATOM 13 C GLU A 6 4.427 11.090 4.319 1.00 9.86 C ATOM 14 O GLU A 6 5.236 10.442 5.085 1.00 9.45 O ATOM 15 CB GLU A 6 3.637 13.273 5.255 1.00 13.47 C ATOM 16 CG GLU A 6 3.846 14.764 5.447 1.00 18.08 C ATOM 17 CD GLU A 6 5.224 15.097 5.938 1.00 18.42 C ATOM 18 OE1 GLU A 6 5.655 14.476 6.936 1.00 23.85 O ATOM 19 OE2 GLU A 6 5.922 15.973 5.318 1.00 28.64 O ATOM 20 H GLU A 6 3.593 13.788 2.655 1.00 0.00 H ATOM 21 N ARG A 7 3.498 10.505 3.600 1.00 10.33 N ATOM 22 CA ARG A 7 3.389 9.062 3.557 1.00 9.05 C ATOM 23 C ARG A 7 4.665 8.440 3.031 1.00 8.49 C ATOM 24 O ARG A 7 5.165 7.472 3.622 1.00 8.00 O ATOM 25 CB ARG A 7 2.179 8.680 2.698 1.00 10.37 C ATOM 26 CG ARG A 7 1.979 7.230 2.630 1.00 11.01 C ATOM 27 CD ARG A 7 0.834 6.864 1.641 1.00 11.96 C ATOM 28 NE ARG A 7 0.531 5.490 1.706 1.00 13.46 N ATOM 29 CZ ARG A 7 1.340 4.558 1.171 1.00 11.68 C ATOM 30 NH1 ARG A 7 2.347 4.895 0.388 1.00 14.61 N ATOM 31 NH2 ARG A 7 1.031 3.306 1.387 1.00 14.84 N ATOM 32 HE ARG A 7 -0.343 5.187 2.181 1.00 0.00 H ATOM 33 HH12 ARG A 7 2.961 4.159 -0.016 1.00 0.00 H ATOM 34 HH11 ARG A 7 2.527 5.897 0.174 1.00 0.00 H ATOM 35 HH22 ARG A 7 1.626 2.548 0.994 1.00 0.00 H ATOM 36 HH21 ARG A 7 0.191 3.068 1.951 1.00 0.00 H ATOM 37 H ARG A 7 2.831 11.086 3.053 1.00 0.00 H ATOM 38 N GLU A 8 5.162 8.898 1.884 1.00 8.56 N ATOM 39 CA GLU A 8 6.343 8.281 1.314 1.00 8.21 C ATOM 40 C GLU A 8 7.547 8.420 2.249 1.00 7.11 C ATOM 41 O GLU A 8 8.378 7.518 2.311 1.00 7.02 O ATOM 42 CB GLU A 8 6.657 8.859 -0.084 1.00 9.78 C ATOM 43 CG GLU A 8 5.655 8.632 -1.095 1.00 17.67 C ATOM 44 H GLU A 8 4.704 9.696 1.399 1.00 0.00 H ATOM 45 N LYS A 9 7.664 9.533 2.955 1.00 7.22 N ATOM 46 CA LYS A 9 8.763 9.686 3.913 1.00 6.81 C ATOM 47 C LYS A 9 8.643 8.661 5.076 1.00 6.63 C ATOM 48 O LYS A 9 9.677 8.133 5.554 1.00 7.00 O ATOM 49 CB LYS A 9 8.812 11.103 4.453 1.00 8.19 C ATOM 50 CG LYS A 9 9.265 12.120 3.392 1.00 9.24 C ATOM 51 CD LYS A 9 9.408 13.513 3.897 1.00 14.53 C ATOM 52 CE LYS A 9 8.217 14.189 4.313 1.00 20.32 C ATOM 53 NZ LYS A 9 8.458 15.476 4.988 1.00 18.30 N ATOM 54 HZ1 LYS A 9 9.033 15.317 5.840 1.00 0.00 H ATOM 55 HZ2 LYS A 9 8.963 16.116 4.342 1.00 0.00 H ATOM 56 HZ3 LYS A 9 7.548 15.901 5.257 1.00 0.00 H ATOM 57 H LYS A 9 6.974 10.301 2.830 1.00 0.00 H ATOM 58 N ARG A 10 7.432 8.409 5.564 1.00 6.53 N ATOM 59 CA ARG A 10 7.253 7.363 6.564 1.00 6.44 C ATOM 60 C ARG A 10 7.664 5.986 6.022 1.00 6.15 C ATOM 61 O ARG A 10 8.354 5.211 6.709 1.00 6.06 O ATOM 62 CB ARG A 10 5.802 7.289 7.070 1.00 6.88 C ATOM 63 CG ARG A 10 5.396 8.406 8.007 1.00 7.89 C ATOM 64 CD ARG A 10 4.009 8.174 8.631 1.00 9.16 C ATOM 65 NE ARG A 10 2.903 8.130 7.711 1.00 8.38 N ATOM 66 CZ ARG A 10 2.247 9.228 7.228 1.00 9.41 C ATOM 67 NH1 ARG A 10 2.615 10.447 7.600 1.00 10.88 N ATOM 68 NH2 ARG A 10 1.218 9.061 6.406 1.00 9.93 N ATOM 69 HE ARG A 10 2.579 7.195 7.390 1.00 0.00 H ATOM 70 HH12 ARG A 10 2.112 11.278 7.229 1.00 0.00 H ATOM 71 HH11 ARG A 10 3.407 10.572 8.263 1.00 0.00 H ATOM 72 HH22 ARG A 10 0.711 9.889 6.032 1.00 0.00 H ATOM 73 HH21 ARG A 10 0.919 8.102 6.136 1.00 0.00 H ATOM 74 H ARG A 10 6.613 8.958 5.233 1.00 0.00 H ATOM 75 N VAL A 11 7.221 5.692 4.815 1.00 5.81 N ATOM 76 CA VAL A 11 7.551 4.371 4.235 1.00 5.87 C ATOM 77 C VAL A 11 9.060 4.254 4.002 1.00 5.64 C ATOM 78 O VAL A 11 9.641 3.199 4.276 1.00 5.90 O ATOM 79 CB VAL A 11 6.719 4.154 2.951 1.00 6.86 C ATOM 80 CG1 VAL A 11 7.182 2.907 2.215 1.00 8.10 C ATOM 81 CG2 VAL A 11 5.232 4.029 3.303 1.00 8.51 C ATOM 82 H VAL A 11 6.650 6.377 4.280 1.00 0.00 H ATOM 83 N SER A 12 9.710 5.324 3.526 1.00 5.67 N ATOM 84 CA SER A 12 11.162 5.292 3.337 1.00 5.59 C ATOM 85 C SER A 12 11.897 5.018 4.633 1.00 5.20 C ATOM 86 O SER A 12 12.826 4.188 4.704 1.00 5.59 O ATOM 87 CB SER A 12 11.611 6.638 2.734 1.00 6.30 C ATOM 88 OG SER A 12 13.019 6.738 2.747 1.00 7.47 O ATOM 89 HG SER A 12 13.406 6.000 2.213 1.00 0.00 H ATOM 90 H SER A 12 9.179 6.186 3.288 1.00 0.00 H ATOM 91 N ASN A 13 11.495 5.712 5.715 1.00 5.30 N ATOM 92 CA ASN A 13 12.081 5.458 7.004 1.00 5.26 C ATOM 93 C ASN A 13 11.879 3.990 7.433 1.00 5.27 C ATOM 94 O ASN A 13 12.783 3.359 8.003 1.00 5.53 O ATOM 95 CB ASN A 13 11.466 6.367 8.084 1.00 5.53 C ATOM 96 CG ASN A 13 12.256 7.643 8.312 1.00 5.91 C ATOM 97 OD1 ASN A 13 11.650 8.794 8.106 1.00 8.82 O ATOM 98 ND2 ASN A 13 13.446 7.557 8.737 1.00 5.06 N ATOM 99 HD22 ASN A 13 13.880 6.623 8.883 1.00 0.00 H ATOM 100 HD21 ASN A 13 13.989 8.420 8.940 1.00 0.00 H ATOM 101 H ASN A 13 10.756 6.437 5.618 1.00 0.00 H ATOM 102 N ALA A 14 10.666 3.481 7.195 1.00 5.18 N ATOM 103 CA ALA A 14 10.341 2.093 7.589 1.00 5.12 C ATOM 104 C ALA A 14 11.172 1.080 6.843 1.00 5.47 C ATOM 105 O ALA A 14 11.622 0.082 7.416 1.00 5.53 O ATOM 106 CB ALA A 14 8.851 1.858 7.389 1.00 5.46 C ATOM 107 H ALA A 14 9.944 4.067 6.728 1.00 0.00 H ATOM 108 N VAL A 15 11.357 1.272 5.527 1.00 5.63 N ATOM 109 CA VAL A 15 12.176 0.392 4.740 1.00 6.22 C ATOM 110 C VAL A 15 13.604 0.314 5.323 1.00 6.04 C ATOM 111 O VAL A 15 14.185 -0.745 5.485 1.00 6.41 O ATOM 112 CB VAL A 15 12.147 0.850 3.254 1.00 7.10 C ATOM 113 CG1 VAL A 15 13.270 0.228 2.439 1.00 8.95 C ATOM 114 CG2 VAL A 15 10.773 0.529 2.660 1.00 8.49 C ATOM 115 H VAL A 15 10.894 2.080 5.064 1.00 0.00 H ATOM 116 N GLU A 16 14.161 1.530 5.620 1.00 6.01 N ATOM 117 CA GLU A 16 15.524 1.552 6.129 1.00 6.52 C ATOM 118 C GLU A 16 15.630 0.793 7.477 1.00 5.88 C ATOM 119 O GLU A 16 16.587 0.100 7.719 1.00 6.57 O ATOM 120 CB GLU A 16 15.935 3.029 6.181 1.00 7.55 C ATOM 121 CG GLU A 16 17.377 3.244 6.377 1.00 8.16 C ATOM 122 CD GLU A 16 17.856 4.711 6.075 1.00 8.74 C ATOM 123 OE1 GLU A 16 17.221 5.259 5.171 1.00 9.92 O ATOM 124 OE2 GLU A 16 18.754 5.115 6.724 1.00 9.77 O ATOM 125 H GLU A 16 13.625 2.411 5.486 1.00 0.00 H ATOM 126 N PHE A 17 14.615 0.980 8.346 1.00 5.58 N ATOM 127 CA PHE A 17 14.538 0.213 9.585 1.00 5.49 C ATOM 128 C PHE A 17 14.543 -1.304 9.318 1.00 5.61 C ATOM 129 O PHE A 17 15.345 -2.036 9.890 1.00 6.30 O ATOM 130 CB PHE A 17 13.285 0.650 10.352 1.00 5.89 C ATOM 131 CG PHE A 17 12.947 -0.196 11.555 1.00 5.72 C ATOM 132 CD1 PHE A 17 13.699 -0.129 12.737 1.00 6.13 C ATOM 133 CD2 PHE A 17 11.866 -1.084 11.503 1.00 6.71 C ATOM 134 CE1 PHE A 17 13.362 -0.913 13.836 1.00 7.33 C ATOM 135 CE2 PHE A 17 11.541 -1.879 12.616 1.00 7.67 C ATOM 136 CZ PHE A 17 12.286 -1.767 13.779 1.00 7.78 C ATOM 137 H PHE A 17 13.877 1.680 8.130 1.00 0.00 H ATOM 138 N LEU A 18 13.630 -1.749 8.446 1.00 5.34 N ATOM 139 CA LEU A 18 13.460 -3.168 8.204 1.00 6.11 C ATOM 140 C LEU A 18 14.694 -3.831 7.583 1.00 7.21 C ATOM 141 O LEU A 18 14.887 -5.046 7.762 1.00 9.08 O ATOM 142 CB LEU A 18 12.245 -3.425 7.307 1.00 6.03 C ATOM 143 CG LEU A 18 10.863 -3.102 7.924 1.00 5.71 C ATOM 144 CD1 LEU A 18 9.775 -3.319 6.865 1.00 6.77 C ATOM 145 CD2 LEU A 18 10.596 -3.949 9.149 1.00 6.50 C ATOM 146 H LEU A 18 13.034 -1.067 7.935 1.00 0.00 H ATOM 147 N LEU A 19 15.513 -3.052 6.857 1.00 7.21 N ATOM 148 CA LEU A 19 16.739 -3.545 6.230 1.00 8.10 C ATOM 149 C LEU A 19 17.904 -3.711 7.201 1.00 7.34 C ATOM 150 O LEU A 19 18.882 -4.368 6.857 1.00 8.88 O ATOM 151 CB LEU A 19 17.157 -2.625 5.086 1.00 9.78 C ATOM 152 CG LEU A 19 16.256 -2.588 3.866 1.00 13.21 C ATOM 153 CD1 LEU A 19 16.719 -1.415 2.936 1.00 16.40 C ATOM 154 CD2 LEU A 19 16.238 -3.927 3.141 1.00 17.38 C ATOM 155 H LEU A 19 15.263 -2.050 6.735 1.00 0.00 H ATOM 156 N ASP A 20 17.862 -3.026 8.337 1.00 6.59 N ATOM 157 CA ASP A 20 19.031 -3.004 9.227 1.00 6.62 C ATOM 158 C ASP A 20 19.395 -4.397 9.728 1.00 7.45 C ATOM 159 O ASP A 20 18.536 -5.210 10.028 1.00 8.66 O ATOM 160 CB ASP A 20 18.726 -2.082 10.432 1.00 6.85 C ATOM 161 CG ASP A 20 19.897 -2.022 11.422 1.00 8.70 C ATOM 162 OD1 ASP A 20 20.789 -1.184 11.228 1.00 10.02 O ATOM 163 OD2 ASP A 20 19.867 -2.826 12.376 1.00 10.43 O ATOM 164 H ASP A 20 17.001 -2.504 8.598 1.00 0.00 H ATOM 165 N SER A 21 20.697 -4.682 9.843 1.00 8.26 N ATOM 166 CA SER A 21 21.163 -6.020 10.204 1.00 10.82 C ATOM 167 C SER A 21 20.703 -6.479 11.580 1.00 9.76 C ATOM 168 O SER A 21 20.597 -7.697 11.785 1.00 12.73 O ATOM 169 CB SER A 21 22.693 -6.092 10.207 1.00 11.33 C ATOM 170 OG SER A 21 23.336 -5.282 11.308 1.00 13.81 O ATOM 171 HG SER A 21 23.085 -4.330 11.205 1.00 0.00 H ATOM 172 H SER A 21 21.396 -3.932 9.671 1.00 0.00 H ATOM 173 N ARG A 22 20.463 -5.612 12.521 1.00 8.67 N ATOM 174 CA ARG A 22 19.971 -5.984 13.853 1.00 9.52 C ATOM 175 C ARG A 22 18.504 -6.226 13.846 1.00 9.59 C ATOM 176 O ARG A 22 18.045 -6.876 14.803 1.00 14.43 O ATOM 177 CB ARG A 22 20.254 -4.886 14.868 1.00 10.55 C ATOM 178 CG ARG A 22 21.721 -4.534 15.066 1.00 11.26 C ATOM 179 CD ARG A 22 21.876 -3.193 15.706 1.00 11.96 C ATOM 180 NE ARG A 22 21.564 -2.115 14.718 1.00 11.14 N ATOM 181 CZ ARG A 22 21.866 -0.878 14.879 1.00 10.85 C ATOM 182 NH1 ARG A 22 22.392 -0.461 15.988 1.00 13.70 N ATOM 183 NH2 ARG A 22 21.689 -0.090 13.862 1.00 12.24 N ATOM 184 HE ARG A 22 21.070 -2.385 13.843 1.00 0.00 H ATOM 185 HH12 ARG A 22 22.632 0.544 16.104 1.00 0.00 H ATOM 186 HH11 ARG A 22 22.574 -1.132 16.762 1.00 0.00 H ATOM 187 HH22 ARG A 22 21.919 0.921 13.942 1.00 0.00 H ATOM 188 HH21 ARG A 22 21.318 -0.470 12.968 1.00 0.00 H ATOM 189 H ARG A 22 20.628 -4.605 12.319 1.00 0.00 H ATOM 190 N VAL A 23 17.733 -5.553 12.960 1.00 8.46 N ATOM 191 CA VAL A 23 16.290 -5.602 12.881 1.00 8.40 C ATOM 192 C VAL A 23 15.834 -6.818 12.105 1.00 8.19 C ATOM 193 O VAL A 23 14.832 -7.450 12.438 1.00 8.36 O ATOM 194 CB VAL A 23 15.744 -4.292 12.230 1.00 7.43 C ATOM 195 CG1 VAL A 23 14.247 -4.378 12.043 1.00 8.19 C ATOM 196 CG2 VAL A 23 16.118 -3.091 13.065 1.00 8.17 C ATOM 197 H VAL A 23 18.223 -4.945 12.273 1.00 0.00 H ATOM 198 N ARG A 24 16.520 -7.130 11.000 1.00 7.88 N ATOM 199 CA ARG A 24 15.962 -8.036 10.022 1.00 8.19 C ATOM 200 C ARG A 24 15.641 -9.397 10.556 1.00 9.12 C ATOM 201 O ARG A 24 14.625 -9.987 10.085 1.00 11.92 O ATOM 202 CB ARG A 24 16.861 -8.089 8.818 1.00 9.70 C ATOM 203 H ARG A 24 17.462 -6.718 10.843 1.00 0.00 H ATOM 204 N ARG A 25 16.406 -9.926 11.510 1.00 10.38 N ATOM 205 CA ARG A 25 16.077 -11.383 11.886 1.00 11.23 C ATOM 206 C ARG A 25 15.041 -11.430 12.987 1.00 10.47 C ATOM 207 O ARG A 25 14.624 -12.546 13.368 1.00 12.93 O ATOM 208 CB ARG A 25 17.310 -12.130 12.276 1.00 10.49 C ATOM 209 CG ARG A 25 18.465 -12.186 11.249 1.00 11.18 C ATOM 210 CD ARG A 25 19.719 -12.760 11.803 1.00 10.80 C ATOM 211 NE ARG A 25 20.216 -11.977 12.883 1.00 10.76 N ATOM 212 CZ ARG A 25 21.149 -12.337 13.773 1.00 11.17 C ATOM 213 NH1 ARG A 25 21.813 -13.549 13.672 1.00 10.05 N ATOM 214 NH2 ARG A 25 21.425 -11.514 14.808 1.00 13.46 N ATOM 215 HE ARG A 25 19.812 -11.025 12.992 1.00 0.00 H ATOM 216 HH12 ARG A 25 22.534 -13.807 14.375 1.00 0.00 H ATOM 217 HH11 ARG A 25 21.590 -14.201 12.893 1.00 0.00 H ATOM 218 HH22 ARG A 25 22.147 -11.781 15.507 1.00 0.00 H ATOM 219 HH21 ARG A 25 20.915 -10.613 14.906 1.00 0.00 H ATOM 220 H ARG A 25 17.172 -9.392 11.969 1.00 0.00 H ATOM 221 N THR A 26 14.634 -10.185 13.580 1.00 10.99 N ATOM 222 CA THR A 26 13.742 -10.115 14.724 1.00 10.54 C ATOM 223 C THR A 26 12.330 -10.346 14.307 1.00 8.62 C ATOM 224 O THR A 26 11.997 -10.333 13.108 1.00 9.93 O ATOM 225 CB THR A 26 13.890 -8.803 15.407 1.00 11.13 C ATOM 226 OG1 THR A 26 13.324 -7.769 14.716 1.00 10.41 O ATOM 227 CG2 THR A 26 15.313 -8.506 15.769 1.00 11.85 C ATOM 228 HG1 THR A 26 13.753 -7.694 13.827 1.00 0.00 H ATOM 229 H THR A 26 14.993 -9.298 13.173 1.00 0.00 H ATOM 230 N PRO A 27 11.425 -10.665 15.248 1.00 7.87 N ATOM 231 CA PRO A 27 10.113 -11.106 14.835 1.00 7.83 C ATOM 232 C PRO A 27 9.271 -10.009 14.178 1.00 7.03 C ATOM 233 O PRO A 27 9.317 -8.822 14.510 1.00 7.29 O ATOM 234 CB PRO A 27 9.433 -11.543 16.136 1.00 9.77 C ATOM 235 CG PRO A 27 10.601 -11.907 17.044 1.00 10.47 C ATOM 236 CD PRO A 27 11.639 -10.892 16.677 1.00 8.77 C ATOM 237 N THR A 28 8.415 -10.450 13.275 1.00 7.69 N ATOM 238 CA THR A 28 7.480 -9.542 12.590 1.00 7.46 C ATOM 239 C THR A 28 6.686 -8.709 13.549 1.00 7.50 C ATOM 240 O THR A 28 6.534 -7.484 13.348 1.00 7.35 O ATOM 241 CB THR A 28 6.544 -10.371 11.669 1.00 8.53 C ATOM 242 OG1 THR A 28 7.353 -11.078 10.740 1.00 9.51 O ATOM 243 CG2 THR A 28 5.562 -9.471 10.930 1.00 8.92 C ATOM 244 HG1 THR A 28 7.969 -11.678 11.230 1.00 0.00 H ATOM 245 H THR A 28 8.401 -11.463 13.042 1.00 0.00 H ATOM 246 N SER A 29 6.134 -9.309 14.604 1.00 8.73 N ATOM 247 CA SER A 29 5.214 -8.595 15.443 1.00 9.53 C ATOM 248 C SER A 29 5.938 -7.393 16.085 1.00 9.22 C ATOM 249 O SER A 29 5.343 -6.288 16.178 1.00 9.12 O ATOM 250 CB SER A 29 4.623 -9.477 16.514 1.00 12.88 C ATOM 251 OG SER A 29 5.590 -10.064 17.258 1.00 17.32 O ATOM 252 HG SER A 29 6.140 -9.365 17.693 1.00 0.00 H ATOM 253 H SER A 29 6.371 -10.298 14.820 1.00 0.00 H ATOM 254 N SER A 30 7.154 -7.533 16.568 1.00 8.58 N ATOM 255 CA SER A 30 7.880 -6.423 17.199 1.00 9.53 C ATOM 256 C SER A 30 8.172 -5.341 16.196 1.00 8.34 C ATOM 257 O SER A 30 8.099 -4.180 16.539 1.00 9.27 O ATOM 258 CB SER A 30 9.228 -6.826 17.776 1.00 13.43 C ATOM 259 OG SER A 30 9.308 -7.354 18.963 1.00 13.47 O ATOM 260 HG SER A 30 10.255 -7.551 19.172 1.00 0.00 H ATOM 261 H SER A 30 7.617 -8.462 16.501 1.00 0.00 H ATOM 262 N LYS A 31 8.468 -5.693 14.940 1.00 7.33 N ATOM 263 CA LYS A 31 8.686 -4.691 13.899 1.00 7.00 C ATOM 264 C LYS A 31 7.420 -3.895 13.608 1.00 6.23 C ATOM 265 O LYS A 31 7.450 -2.666 13.412 1.00 6.94 O ATOM 266 CB LYS A 31 9.262 -5.360 12.643 1.00 7.44 C ATOM 267 CG LYS A 31 10.664 -5.908 12.953 1.00 10.92 C ATOM 268 CD LYS A 31 11.489 -6.486 11.902 1.00 10.03 C ATOM 269 CE LYS A 31 10.743 -7.604 11.391 1.00 9.28 C ATOM 270 NZ LYS A 31 11.805 -8.656 10.593 1.00 10.21 N ATOM 271 HZ1 LYS A 31 12.265 -8.152 9.808 1.00 0.00 H ATOM 272 HZ2 LYS A 31 12.527 -8.991 11.262 1.00 0.00 H ATOM 273 HZ3 LYS A 31 11.272 -9.468 10.220 1.00 0.00 H ATOM 274 H LYS A 31 8.545 -6.702 14.699 1.00 0.00 H ATOM 275 N VAL A 32 6.282 -4.606 13.532 1.00 5.97 N ATOM 276 CA VAL A 32 4.998 -3.969 13.249 1.00 5.88 C ATOM 277 C VAL A 32 4.614 -2.974 14.371 1.00 6.20 C ATOM 278 O VAL A 32 4.214 -1.829 14.086 1.00 6.39 O ATOM 279 CB VAL A 32 3.926 -5.065 13.049 1.00 6.17 C ATOM 280 CG1 VAL A 32 2.519 -4.481 13.057 1.00 7.04 C ATOM 281 CG2 VAL A 32 4.200 -5.803 11.732 1.00 6.44 C ATOM 282 H VAL A 32 6.316 -5.635 13.678 1.00 0.00 H ATOM 283 N HIS A 33 4.728 -3.404 15.634 1.00 6.29 N ATOM 284 CA HIS A 33 4.398 -2.454 16.722 1.00 6.42 C ATOM 285 C HIS A 33 5.334 -1.254 16.694 1.00 6.64 C ATOM 286 O HIS A 33 4.873 -0.106 16.912 1.00 7.01 O ATOM 287 CB HIS A 33 4.504 -3.151 18.094 1.00 7.43 C ATOM 288 CG HIS A 33 3.477 -4.204 18.348 1.00 7.67 C ATOM 289 ND1 HIS A 33 2.146 -3.936 18.333 1.00 9.48 N ATOM 290 CD2 HIS A 33 3.651 -5.505 18.698 1.00 9.79 C ATOM 291 CE1 HIS A 33 1.543 -5.062 18.638 1.00 10.62 C ATOM 292 NE2 HIS A 33 2.405 -6.037 18.867 1.00 10.56 N ATOM 293 H HIS A 33 5.038 -4.374 15.845 1.00 0.00 H ATOM 294 N PHE A 34 6.616 -1.455 16.443 1.00 6.38 N ATOM 295 CA PHE A 34 7.530 -0.315 16.362 1.00 6.36 C ATOM 296 C PHE A 34 7.077 0.649 15.274 1.00 6.16 C ATOM 297 O PHE A 34 7.010 1.883 15.460 1.00 6.68 O ATOM 298 CB PHE A 34 8.972 -0.802 16.099 1.00 6.63 C ATOM 299 CG PHE A 34 9.951 0.307 15.897 1.00 6.25 C ATOM 300 CD1 PHE A 34 10.639 0.860 16.972 1.00 6.61 C ATOM 301 CD2 PHE A 34 10.229 0.786 14.634 1.00 6.98 C ATOM 302 CE1 PHE A 34 11.576 1.866 16.790 1.00 7.25 C ATOM 303 CE2 PHE A 34 11.147 1.787 14.424 1.00 7.43 C ATOM 304 CZ PHE A 34 11.831 2.329 15.499 1.00 7.31 C ATOM 305 H PHE A 34 6.974 -2.421 16.303 1.00 0.00 H ATOM 306 N LEU A 35 6.783 0.123 14.067 1.00 6.13 N ATOM 307 CA LEU A 35 6.412 1.028 12.969 1.00 5.96 C ATOM 308 C LEU A 35 5.117 1.793 13.248 1.00 6.22 C ATOM 309 O LEU A 35 5.012 2.971 12.904 1.00 6.62 O ATOM 310 CB LEU A 35 6.353 0.229 11.671 1.00 5.78 C ATOM 311 CG LEU A 35 7.707 -0.262 11.157 1.00 5.95 C ATOM 312 CD1 LEU A 35 7.516 -1.138 9.916 1.00 6.68 C ATOM 313 CD2 LEU A 35 8.673 0.895 10.871 1.00 6.65 C ATOM 314 H LEU A 35 6.818 -0.905 13.916 1.00 0.00 H ATOM 315 N LYS A 36 4.136 1.139 13.868 1.00 6.24 N ATOM 316 CA LYS A 36 2.908 1.866 14.244 1.00 6.67 C ATOM 317 C LYS A 36 3.282 3.031 15.188 1.00 6.67 C ATOM 318 O LYS A 36 2.720 4.150 15.076 1.00 7.32 O ATOM 319 CB LYS A 36 1.906 0.914 14.900 1.00 7.66 C ATOM 320 CG LYS A 36 0.661 1.618 15.396 1.00 11.66 C ATOM 321 CD LYS A 36 -0.367 0.897 16.106 1.00 13.18 C ATOM 322 CE LYS A 36 -1.500 1.693 16.711 1.00 21.15 C ATOM 323 H LYS A 36 4.234 0.127 14.085 1.00 0.00 H ATOM 324 N SER A 37 4.205 2.786 16.123 1.00 6.66 N ATOM 325 CA SER A 37 4.586 3.829 17.096 1.00 7.19 C ATOM 326 C SER A 37 5.271 5.011 16.430 1.00 7.68 C ATOM 327 O SER A 37 5.319 6.098 17.034 1.00 10.08 O ATOM 328 CB SER A 37 5.446 3.243 18.209 1.00 8.47 C ATOM 329 OG SER A 37 6.804 3.077 17.859 1.00 8.77 O ATOM 330 HG SER A 37 6.871 2.465 17.084 1.00 0.00 H ATOM 331 H SER A 37 4.659 1.851 16.166 1.00 0.00 H ATOM 332 N LYS A 38 5.848 4.831 15.252 1.00 7.17 N ATOM 333 CA LYS A 38 6.483 5.903 14.521 1.00 7.79 C ATOM 334 C LYS A 38 5.487 6.623 13.598 1.00 8.51 C ATOM 335 O LYS A 38 5.902 7.554 12.909 1.00 12.03 O ATOM 336 CB LYS A 38 7.674 5.362 13.686 1.00 7.81 C ATOM 337 CG LYS A 38 8.792 4.708 14.484 1.00 9.33 C ATOM 338 CD LYS A 38 9.425 5.322 15.638 1.00 13.43 C ATOM 339 CE LYS A 38 10.695 6.072 15.354 1.00 14.77 C ATOM 340 NZ LYS A 38 11.283 6.908 16.384 1.00 13.90 N ATOM 341 HZ1 LYS A 38 10.606 7.649 16.656 1.00 0.00 H ATOM 342 HZ2 LYS A 38 11.512 6.324 17.214 1.00 0.00 H ATOM 343 HZ3 LYS A 38 12.151 7.348 16.018 1.00 0.00 H ATOM 344 H LYS A 38 5.844 3.878 14.836 1.00 0.00 H ATOM 345 N GLY A 39 4.228 6.249 13.623 1.00 7.60 N ATOM 346 CA GLY A 39 3.179 6.952 12.903 1.00 7.83 C ATOM 347 C GLY A 39 2.631 6.250 11.672 1.00 6.84 C ATOM 348 O GLY A 39 1.758 6.802 10.983 1.00 7.75 O ATOM 349 H GLY A 39 3.970 5.412 14.183 1.00 0.00 H ATOM 350 N LEU A 40 3.139 5.055 11.324 1.00 6.37 N ATOM 351 CA LEU A 40 2.642 4.378 10.125 1.00 6.05 C ATOM 352 C LEU A 40 1.249 3.735 10.392 1.00 6.46 C ATOM 353 O LEU A 40 0.977 3.237 11.450 1.00 7.67 O ATOM 354 CB LEU A 40 3.580 3.280 9.624 1.00 5.71 C ATOM 355 CG LEU A 40 4.761 3.768 8.772 1.00 5.92 C ATOM 356 CD1 LEU A 40 5.862 4.422 9.610 1.00 6.92 C ATOM 357 CD2 LEU A 40 5.370 2.601 7.995 1.00 6.45 C ATOM 358 H LEU A 40 3.881 4.614 11.904 1.00 0.00 H ATOM 359 N SER A 41 0.432 3.774 9.349 1.00 6.00 N ATOM 360 CA SER A 41 -0.772 2.989 9.321 1.00 6.42 C ATOM 361 C SER A 41 -0.452 1.504 8.976 1.00 5.97 C ATOM 362 O SER A 41 0.614 1.191 8.446 1.00 5.92 O ATOM 363 CB SER A 41 -1.738 3.537 8.263 1.00 7.30 C ATOM 364 OG SER A 41 -1.146 3.356 6.990 1.00 7.59 O ATOM 365 HG SER A 41 -1.755 3.704 6.292 1.00 0.00 H ATOM 366 H SER A 41 0.666 4.382 8.538 1.00 0.00 H ATOM 367 N ALA A 42 -1.430 0.654 9.196 1.00 6.56 N ATOM 368 CA ALA A 42 -1.252 -0.769 8.817 1.00 6.22 C ATOM 369 C ALA A 42 -0.933 -0.898 7.326 1.00 5.75 C ATOM 370 O ALA A 42 -0.108 -1.727 6.937 1.00 5.80 O ATOM 371 CB ALA A 42 -2.518 -1.555 9.179 1.00 7.20 C ATOM 372 H ALA A 42 -2.318 0.975 9.631 1.00 0.00 H ATOM 373 N GLU A 43 -1.593 -0.086 6.471 1.00 5.79 N ATOM 374 CA GLU A 43 -1.374 -0.153 5.036 1.00 5.93 C ATOM 375 C GLU A 43 0.043 0.303 4.661 1.00 5.69 C ATOM 376 O GLU A 43 0.657 -0.255 3.746 1.00 6.43 O ATOM 377 CB GLU A 43 -2.416 0.685 4.285 1.00 7.18 C ATOM 378 CG GLU A 43 -3.838 0.164 4.416 1.00 7.72 C ATOM 379 CD GLU A 43 -4.594 0.429 5.703 1.00 8.36 C ATOM 380 OE1 GLU A 43 -4.090 1.141 6.601 1.00 10.27 O ATOM 381 OE2 GLU A 43 -5.705 -0.154 5.830 1.00 10.63 O ATOM 382 H GLU A 43 -2.274 0.603 6.849 1.00 0.00 H ATOM 383 N GLU A 44 0.562 1.326 5.346 1.00 5.53 N ATOM 384 CA GLU A 44 1.920 1.773 5.101 1.00 5.39 C ATOM 385 C GLU A 44 2.937 0.703 5.549 1.00 5.02 C ATOM 386 O GLU A 44 3.961 0.481 4.891 1.00 5.40 O ATOM 387 CB GLU A 44 2.170 3.112 5.825 1.00 5.35 C ATOM 388 CG GLU A 44 1.378 4.263 5.211 1.00 6.23 C ATOM 389 CD GLU A 44 1.275 5.485 6.072 1.00 7.35 C ATOM 390 OE1 GLU A 44 1.860 5.504 7.174 1.00 8.67 O ATOM 391 OE2 GLU A 44 0.535 6.426 5.687 1.00 10.80 O ATOM 392 H GLU A 44 -0.015 1.808 6.064 1.00 0.00 H ATOM 393 N ILE A 45 2.664 0.054 6.677 1.00 5.07 N ATOM 394 CA ILE A 45 3.507 -1.034 7.167 1.00 5.00 C ATOM 395 C ILE A 45 3.532 -2.162 6.102 1.00 5.21 C ATOM 396 O ILE A 45 4.582 -2.731 5.788 1.00 5.52 O ATOM 397 CB ILE A 45 3.027 -1.527 8.525 1.00 5.25 C ATOM 398 CG1 ILE A 45 3.224 -0.415 9.564 1.00 5.62 C ATOM 399 CG2 ILE A 45 3.750 -2.814 8.945 1.00 5.99 C ATOM 400 CD1 ILE A 45 2.549 -0.679 10.915 1.00 6.41 C ATOM 401 H ILE A 45 1.825 0.329 7.227 1.00 0.00 H ATOM 402 N CYS A 46 2.342 -2.500 5.590 1.00 5.84 N ATOM 403 CA CYS A 46 2.234 -3.542 4.557 1.00 6.20 C ATOM 404 C CYS A 46 3.107 -3.174 3.345 1.00 6.08 C ATOM 405 O CYS A 46 3.874 -3.988 2.824 1.00 6.53 O ATOM 406 CB CYS A 46 0.744 -3.723 4.187 1.00 7.17 C ATOM 407 SG CYS A 46 0.387 -5.074 3.083 1.00 10.07 S ATOM 408 H CYS A 46 1.483 -2.020 5.927 1.00 0.00 H ATOM 409 N GLU A 47 3.001 -1.918 2.893 1.00 6.05 N ATOM 410 CA GLU A 47 3.804 -1.493 1.762 1.00 6.10 C ATOM 411 C GLU A 47 5.293 -1.644 2.050 1.00 5.73 C ATOM 412 O GLU A 47 6.068 -2.100 1.202 1.00 6.35 O ATOM 413 CB GLU A 47 3.429 -0.066 1.377 1.00 7.05 C ATOM 414 CG GLU A 47 4.199 0.437 0.147 1.00 8.49 C ATOM 415 CD GLU A 47 3.759 1.703 -0.441 1.00 11.02 C ATOM 416 OE1 GLU A 47 2.525 1.864 -0.566 1.00 15.78 O ATOM 417 OE2 GLU A 47 4.587 2.484 -0.866 1.00 21.66 O ATOM 418 H GLU A 47 2.347 -1.251 3.350 1.00 0.00 H ATOM 419 N ALA A 48 5.730 -1.222 3.245 1.00 5.53 N ATOM 420 CA ALA A 48 7.155 -1.302 3.591 1.00 5.66 C ATOM 421 C ALA A 48 7.681 -2.746 3.595 1.00 5.35 C ATOM 422 O ALA A 48 8.779 -2.998 3.088 1.00 5.72 O ATOM 423 CB ALA A 48 7.379 -0.640 4.950 1.00 6.09 C ATOM 424 H ALA A 48 5.054 -0.834 3.933 1.00 0.00 H ATOM 425 N PHE A 49 6.912 -3.692 4.148 1.00 5.12 N ATOM 426 CA PHE A 49 7.356 -5.104 4.147 1.00 5.27 C ATOM 427 C PHE A 49 7.525 -5.629 2.715 1.00 5.30 C ATOM 428 O PHE A 49 8.474 -6.328 2.408 1.00 6.06 O ATOM 429 CB PHE A 49 6.412 -6.005 4.940 1.00 5.36 C ATOM 430 CG PHE A 49 6.764 -6.068 6.418 1.00 5.37 C ATOM 431 CD1 PHE A 49 7.724 -7.001 6.851 1.00 6.58 C ATOM 432 CD2 PHE A 49 6.173 -5.254 7.361 1.00 6.33 C ATOM 433 CE1 PHE A 49 8.063 -7.091 8.203 1.00 6.89 C ATOM 434 CE2 PHE A 49 6.542 -5.339 8.726 1.00 7.09 C ATOM 435 CZ PHE A 49 7.462 -6.282 9.110 1.00 6.62 C ATOM 436 H PHE A 49 6.001 -3.434 4.579 1.00 0.00 H ATOM 437 N THR A 50 6.573 -5.298 1.835 1.00 5.52 N ATOM 438 CA THR A 50 6.720 -5.725 0.439 1.00 5.90 C ATOM 439 C THR A 50 7.938 -5.074 -0.213 1.00 5.97 C ATOM 440 O THR A 50 8.658 -5.709 -1.004 1.00 7.03 O ATOM 441 CB THR A 50 5.413 -5.462 -0.316 1.00 6.78 C ATOM 442 OG1 THR A 50 4.451 -6.478 0.006 1.00 7.87 O ATOM 443 CG2 THR A 50 5.610 -5.570 -1.826 1.00 7.79 C ATOM 444 HG1 THR A 50 4.274 -6.467 0.980 1.00 0.00 H ATOM 445 H THR A 50 5.743 -4.748 2.135 1.00 0.00 H ATOM 446 N LYS A 51 8.235 -3.792 0.124 1.00 6.43 N ATOM 447 CA LYS A 51 9.372 -3.106 -0.461 1.00 7.30 C ATOM 448 C LYS A 51 10.708 -3.726 -0.071 1.00 7.53 C ATOM 449 O LYS A 51 11.704 -3.482 -0.807 1.00 9.83 O ATOM 450 CB LYS A 51 9.403 -1.621 -0.069 1.00 7.59 C ATOM 451 CG LYS A 51 8.523 -0.766 -0.908 1.00 9.34 C ATOM 452 CD LYS A 51 8.580 0.716 -0.549 1.00 11.33 C ATOM 453 CE LYS A 51 7.939 1.624 -1.463 1.00 16.02 C ATOM 454 NZ LYS A 51 7.829 1.483 -2.760 1.00 18.05 N ATOM 455 HZ1 LYS A 51 8.777 1.431 -3.184 1.00 0.00 H ATOM 456 HZ2 LYS A 51 7.306 0.609 -2.969 1.00 0.00 H ATOM 457 HZ3 LYS A 51 7.316 2.298 -3.154 1.00 0.00 H ATOM 458 H LYS A 51 7.637 -3.293 0.813 1.00 0.00 H ATOM 459 N VAL A 52 10.799 -4.456 1.037 1.00 6.62 N ATOM 460 CA VAL A 52 12.027 -5.139 1.410 1.00 7.21 C ATOM 461 C VAL A 52 11.996 -6.616 1.026 1.00 7.31 C ATOM 462 O VAL A 52 12.883 -7.387 1.426 1.00 8.78 O ATOM 463 CB VAL A 52 12.393 -4.951 2.912 1.00 7.50 C ATOM 464 CG1 VAL A 52 12.585 -3.458 3.178 1.00 9.12 C ATOM 465 CG2 VAL A 52 11.365 -5.534 3.844 1.00 8.22 C ATOM 466 H VAL A 52 9.967 -4.541 1.655 1.00 0.00 H ATOM 467 N GLY A 53 11.022 -7.029 0.211 1.00 6.68 N ATOM 468 CA GLY A 53 10.977 -8.403 -0.272 1.00 7.41 C ATOM 469 C GLY A 53 10.529 -9.395 0.758 1.00 7.57 C ATOM 470 O GLY A 53 10.810 -10.593 0.614 1.00 9.05 O ATOM 471 H GLY A 53 10.283 -6.359 -0.084 1.00 0.00 H ATOM 472 N GLN A 54 9.832 -8.925 1.796 1.00 7.18 N ATOM 473 CA GLN A 54 9.314 -9.793 2.874 1.00 8.69 C ATOM 474 C GLN A 54 7.820 -9.511 3.003 1.00 7.25 C ATOM 475 O GLN A 54 7.336 -9.059 4.058 1.00 7.63 O ATOM 476 CB GLN A 54 9.997 -9.496 4.199 1.00 11.23 C ATOM 477 CG GLN A 54 11.481 -9.673 4.217 1.00 14.20 C ATOM 478 CD GLN A 54 12.051 -9.396 5.664 1.00 21.94 C ATOM 479 OE1 GLN A 54 12.200 -8.302 6.194 1.00 19.67 O ATOM 480 NE2 GLN A 54 12.229 -10.507 6.367 1.00 47.34 N ATOM 481 HE22 GLN A 54 12.102 -11.435 5.914 1.00 0.00 H ATOM 482 HE21 GLN A 54 12.496 -10.450 7.371 1.00 0.00 H ATOM 483 H GLN A 54 9.646 -7.903 1.848 1.00 0.00 H ATOM 484 N PRO A 55 7.061 -9.777 1.943 1.00 7.27 N ATOM 485 CA PRO A 55 5.651 -9.381 1.961 1.00 7.05 C ATOM 486 C PRO A 55 4.898 -10.046 3.098 1.00 7.58 C ATOM 487 O PRO A 55 5.046 -11.262 3.365 1.00 9.33 O ATOM 488 CB PRO A 55 5.160 -9.861 0.601 1.00 8.74 C ATOM 489 CG PRO A 55 6.130 -10.912 0.161 1.00 11.28 C ATOM 490 CD PRO A 55 7.436 -10.439 0.671 1.00 9.04 C ATOM 491 N LYS A 56 4.016 -9.256 3.704 1.00 7.05 N ATOM 492 CA LYS A 56 3.088 -9.700 4.724 1.00 7.56 C ATOM 493 C LYS A 56 1.666 -9.293 4.264 1.00 7.49 C ATOM 494 O LYS A 56 1.481 -8.255 3.620 1.00 9.80 O ATOM 495 CB LYS A 56 3.379 -9.026 6.057 1.00 8.43 C ATOM 496 CG LYS A 56 4.783 -9.241 6.585 1.00 8.92 C ATOM 497 CD LYS A 56 5.104 -10.706 6.913 1.00 10.27 C ATOM 498 CE LYS A 56 6.520 -10.949 7.290 1.00 12.23 C ATOM 499 NZ LYS A 56 7.421 -10.791 6.251 1.00 26.34 N ATOM 500 HZ1 LYS A 56 7.189 -11.459 5.488 1.00 0.00 H ATOM 501 HZ2 LYS A 56 7.364 -9.817 5.890 1.00 0.00 H ATOM 502 HZ3 LYS A 56 8.384 -10.978 6.597 1.00 0.00 H ATOM 503 H LYS A 56 3.991 -8.254 3.427 1.00 0.00 H ATOM 504 N THR A 57 0.682 -10.084 4.624 1.00 7.15 N ATOM 505 CA THR A 57 -0.678 -9.690 4.319 1.00 6.96 C ATOM 506 C THR A 57 -1.122 -8.541 5.238 1.00 5.96 C ATOM 507 O THR A 57 -0.704 -8.441 6.397 1.00 6.14 O ATOM 508 CB THR A 57 -1.652 -10.895 4.472 1.00 7.46 C ATOM 509 OG1 THR A 57 -1.704 -11.231 5.854 1.00 7.33 O ATOM 510 CG2 THR A 57 -1.188 -12.080 3.648 1.00 9.08 C ATOM 511 HG1 THR A 57 -2.033 -10.452 6.370 1.00 0.00 H ATOM 512 H THR A 57 0.876 -10.978 5.119 1.00 0.00 H ATOM 513 N LEU A 58 -2.041 -7.721 4.735 1.00 5.95 N ATOM 514 CA LEU A 58 -2.643 -6.730 5.612 1.00 5.65 C ATOM 515 C LEU A 58 -3.369 -7.431 6.761 1.00 5.53 C ATOM 516 O LEU A 58 -3.375 -6.958 7.892 1.00 6.03 O ATOM 517 CB LEU A 58 -3.584 -5.774 4.851 1.00 5.99 C ATOM 518 CG LEU A 58 -4.068 -4.592 5.675 1.00 6.44 C ATOM 519 CD1 LEU A 58 -2.903 -3.664 6.004 1.00 8.07 C ATOM 520 CD2 LEU A 58 -5.134 -3.828 4.930 1.00 7.93 C ATOM 521 H LEU A 58 -2.323 -7.787 3.736 1.00 0.00 H ATOM 522 N ASN A 59 -3.988 -8.608 6.472 1.00 5.66 N ATOM 523 CA ASN A 59 -4.657 -9.340 7.528 1.00 6.07 C ATOM 524 C ASN A 59 -3.700 -9.649 8.684 1.00 5.79 C ATOM 525 O ASN A 59 -4.075 -9.501 9.858 1.00 6.37 O ATOM 526 CB ASN A 59 -5.217 -10.661 6.967 1.00 6.65 C ATOM 527 CG ASN A 59 -6.382 -10.507 6.061 1.00 7.09 C ATOM 528 OD1 ASN A 59 -7.052 -9.506 6.048 1.00 8.07 O ATOM 529 ND2 ASN A 59 -6.664 -11.602 5.288 1.00 7.86 N ATOM 530 HD22 ASN A 59 -6.054 -12.443 5.335 1.00 0.00 H ATOM 531 HD21 ASN A 59 -7.488 -11.592 4.654 1.00 0.00 H ATOM 532 H ASN A 59 -3.981 -8.979 5.500 1.00 0.00 H ATOM 533 N GLU A 60 -2.476 -10.087 8.388 1.00 5.63 N ATOM 534 CA GLU A 60 -1.533 -10.421 9.459 1.00 6.06 C ATOM 535 C GLU A 60 -1.130 -9.140 10.258 1.00 5.60 C ATOM 536 O GLU A 60 -1.053 -9.162 11.477 1.00 6.28 O ATOM 537 CB GLU A 60 -0.296 -11.124 8.915 1.00 7.93 C ATOM 538 CG GLU A 60 0.801 -11.340 9.965 1.00 9.71 C ATOM 539 CD GLU A 60 2.056 -12.091 9.589 1.00 11.67 C ATOM 540 OE1 GLU A 60 2.163 -12.539 8.461 1.00 15.14 O ATOM 541 OE2 GLU A 60 2.939 -12.276 10.476 1.00 15.25 O ATOM 542 H GLU A 60 -2.189 -10.192 7.394 1.00 0.00 H ATOM 543 N ILE A 61 -0.850 -8.067 9.524 1.00 5.44 N ATOM 544 CA ILE A 61 -0.451 -6.811 10.171 1.00 5.51 C ATOM 545 C ILE A 61 -1.561 -6.346 11.119 1.00 5.49 C ATOM 546 O ILE A 61 -1.320 -5.953 12.260 1.00 6.25 O ATOM 547 CB ILE A 61 -0.079 -5.784 9.109 1.00 5.81 C ATOM 548 CG1 ILE A 61 1.190 -6.231 8.381 1.00 7.56 C ATOM 549 CG2 ILE A 61 0.119 -4.372 9.747 1.00 6.36 C ATOM 550 CD1 ILE A 61 1.495 -5.597 7.157 1.00 8.73 C ATOM 551 H ILE A 61 -0.914 -8.118 8.487 1.00 0.00 H ATOM 552 N LYS A 62 -2.811 -6.344 10.603 1.00 5.90 N ATOM 553 CA LYS A 62 -3.925 -5.898 11.436 1.00 6.33 C ATOM 554 C LYS A 62 -4.157 -6.823 12.632 1.00 6.49 C ATOM 555 O LYS A 62 -4.507 -6.349 13.720 1.00 7.42 O ATOM 556 CB LYS A 62 -5.181 -5.711 10.595 1.00 6.81 C ATOM 557 CG LYS A 62 -5.091 -4.510 9.698 1.00 7.63 C ATOM 558 CD LYS A 62 -6.367 -4.153 8.987 1.00 11.59 C ATOM 559 CE LYS A 62 -6.333 -2.805 8.427 1.00 17.08 C ATOM 560 NZ LYS A 62 -7.692 -2.261 8.139 1.00 40.43 N ATOM 561 HZ1 LYS A 62 -8.173 -2.877 7.453 1.00 0.00 H ATOM 562 HZ2 LYS A 62 -8.243 -2.225 9.020 1.00 0.00 H ATOM 563 HZ3 LYS A 62 -7.604 -1.303 7.744 1.00 0.00 H ATOM 564 H LYS A 62 -2.977 -6.656 9.625 1.00 0.00 H ATOM 565 N ARG A 63 -3.963 -8.127 12.472 1.00 6.84 N ATOM 566 CA ARG A 63 -4.146 -9.024 13.622 1.00 7.36 C ATOM 567 C ARG A 63 -3.113 -8.745 14.691 1.00 7.56 C ATOM 568 O ARG A 63 -3.430 -8.735 15.883 1.00 8.75 O ATOM 569 CB ARG A 63 -4.166 -10.459 13.169 1.00 11.21 C ATOM 570 CG ARG A 63 -4.114 -11.576 14.027 1.00 15.78 C ATOM 571 CD ARG A 63 -3.625 -12.725 12.972 1.00 23.63 C ATOM 572 NE ARG A 63 -2.402 -13.492 13.120 1.00 32.48 N ATOM 573 CZ ARG A 63 -1.726 -14.119 12.134 1.00 40.11 C ATOM 574 NH1 ARG A 63 -0.672 -14.910 12.566 1.00 38.43 N ATOM 575 NH2 ARG A 63 -1.911 -13.975 10.850 1.00 51.31 N ATOM 576 HE ARG A 63 -2.008 -13.566 14.080 1.00 0.00 H ATOM 577 HH12 ARG A 63 -0.095 -15.431 11.875 1.00 0.00 H ATOM 578 HH11 ARG A 63 -0.458 -14.982 13.581 1.00 0.00 H ATOM 579 HH22 ARG A 63 -1.328 -14.513 10.177 1.00 0.00 H ATOM 580 HH21 ARG A 63 -2.641 -13.323 10.500 1.00 0.00 H ATOM 581 H ARG A 63 -3.685 -8.509 11.545 1.00 0.00 H ATOM 582 N ILE A 64 -1.866 -8.464 14.293 1.00 6.79 N ATOM 583 CA ILE A 64 -0.835 -8.111 15.270 1.00 7.34 C ATOM 584 C ILE A 64 -1.238 -6.849 16.067 1.00 7.19 C ATOM 585 O ILE A 64 -1.035 -6.782 17.263 1.00 8.69 O ATOM 586 CB ILE A 64 0.513 -7.915 14.542 1.00 6.82 C ATOM 587 CG1 ILE A 64 1.064 -9.234 14.042 1.00 7.92 C ATOM 588 CG2 ILE A 64 1.524 -7.184 15.464 1.00 7.53 C ATOM 589 CD1 ILE A 64 2.155 -9.088 12.972 1.00 8.56 C ATOM 590 H ILE A 64 -1.628 -8.497 13.281 1.00 0.00 H ATOM 591 N LEU A 65 -1.769 -5.853 15.342 1.00 7.43 N ATOM 592 CA LEU A 65 -2.103 -4.567 15.941 1.00 7.90 C ATOM 593 C LEU A 65 -3.445 -4.592 16.680 1.00 10.28 C ATOM 594 O LEU A 65 -3.678 -3.610 17.388 1.00 14.03 O ATOM 595 CB LEU A 65 -2.119 -3.503 14.862 1.00 7.98 C ATOM 596 CG LEU A 65 -0.731 -3.203 14.221 1.00 7.42 C ATOM 597 CD1 LEU A 65 -0.876 -2.243 13.066 1.00 9.36 C ATOM 598 CD2 LEU A 65 0.261 -2.661 15.279 1.00 8.80 C ATOM 599 H LEU A 65 -1.947 -6.002 14.328 1.00 0.00 H ATOM 600 N SER A 66 -4.236 -5.619 16.557 1.00 9.78 N ATOM 601 CA SER A 66 -5.591 -5.685 17.099 1.00 11.99 C ATOM 602 C SER A 66 -5.717 -5.772 18.568 1.00 16.62 C ATOM 603 O SER A 66 -4.775 -6.128 19.242 1.00 17.36 O ATOM 604 CB SER A 66 -6.403 -6.795 16.477 1.00 13.61 C ATOM 605 OG SER A 66 -5.971 -8.106 16.861 1.00 14.86 O ATOM 606 OXT SER A 66 -6.820 -5.473 19.072 1.00 22.72 O ATOM 607 HG SER A 66 -5.030 -8.236 16.584 1.00 0.00 H ATOM 608 H SER A 66 -3.880 -6.447 16.039 1.00 0.00 H TER 609 SER A 66 HETATM 610 O HOH 1 15.526 -14.730 12.936 1.00 76.12 O HETATM 611 O HOH 2 1.499 -12.483 6.057 1.00 13.95 O HETATM 612 O HOH 3 11.582 -8.413 18.763 1.00 14.06 O HETATM 613 O HOH 4 12.605 -1.529 -2.195 1.00 32.77 O HETATM 614 O HOH 5 21.144 4.065 6.623 1.00 18.96 O HETATM 615 O HOH 6 -1.339 6.305 3.857 1.00 19.73 O HETATM 616 O HOH 7 8.173 -9.663 18.447 1.00 15.62 O HETATM 617 O HOH 8 3.097 -12.694 13.104 1.00 25.51 O HETATM 618 O HOH 9 -0.267 -1.628 1.650 1.00 55.68 O HETATM 619 O HOH 10 7.256 -12.746 3.647 1.00 43.04 O HETATM 620 O HOH 11 5.485 -12.968 9.983 1.00 16.33 O HETATM 621 O HOH 12 -6.919 -1.113 3.631 1.00 9.79 O HETATM 622 O HOH 13 -2.816 4.373 5.140 1.00 20.10 O HETATM 623 O HOH 14 3.052 -8.052 -1.957 1.00 7.96 O HETATM 624 O HOH 15 -1.381 3.374 2.589 1.00 16.75 O HETATM 625 O HOH 16 3.535 -6.653 2.581 1.00 7.07 O HETATM 626 O HOH 17 -5.715 1.477 8.728 1.00 68.09 O HETATM 627 O HOH 18 23.306 -2.614 11.729 1.00 17.71 O HETATM 628 O HOH 19 18.714 -8.173 17.077 1.00 17.91 O HETATM 629 O HOH 20 4.246 4.401 -2.755 1.00 28.80 O HETATM 630 O HOH 21 21.033 0.359 9.004 1.00 13.11 O HETATM 631 O HOH 22 18.793 -9.366 12.947 1.00 12.52 O HETATM 632 O HOH 23 8.775 -13.201 11.691 1.00 51.56 O HETATM 633 O HOH 24 12.842 -6.980 8.494 1.00 11.17 O HETATM 634 O HOH 25 -8.839 -4.290 17.637 1.00 32.01 O HETATM 635 O HOH 26 3.627 -13.123 1.930 1.00 24.73 O HETATM 636 O HOH 27 0.879 -1.539 18.776 1.00 10.90 O HETATM 637 O HOH 28 12.642 -13.820 14.783 1.00 22.27 O HETATM 638 O HOH 29 21.579 -4.271 6.305 1.00 26.76 O HETATM 639 O HOH 30 4.187 -14.090 7.417 1.00 42.60 O HETATM 640 O HOH 31 12.107 -6.218 16.647 1.00 11.89 O HETATM 641 O HOH 32 16.973 6.512 2.722 1.00 12.95 O HETATM 642 O HOH 33 23.450 -12.102 16.595 1.00 56.33 O HETATM 643 O HOH 34 14.731 9.354 10.400 1.00 7.42 O HETATM 644 O HOH 35 14.814 5.187 9.148 1.00 6.31 O HETATM 645 O HOH 36 13.697 4.860 0.829 1.00 23.20 O HETATM 646 O HOH 37 24.263 -7.132 13.149 1.00 28.46 O HETATM 647 O HOH 38 10.118 16.740 3.163 1.00 15.82 O HETATM 648 O HOH 39 22.409 -2.589 9.227 1.00 44.49 O HETATM 649 O HOH 40 -6.895 -6.775 6.507 1.00 15.22 O HETATM 650 O HOH 41 -5.834 -3.913 13.872 1.00 15.07 O HETATM 651 O HOH 42 3.930 14.231 9.114 1.00 23.95 O HETATM 652 O HOH 43 -9.498 -8.898 4.841 1.00 11.09 O HETATM 653 O HOH 44 19.261 -0.083 6.918 1.00 12.81 O HETATM 654 O HOH 45 2.724 0.470 18.621 1.00 13.62 O HETATM 655 O HOH 46 9.725 -10.202 9.518 1.00 17.22 O HETATM 656 O HOH 47 17.705 5.505 9.300 1.00 9.19 O HETATM 657 O HOH 48 10.134 -11.101 10.336 1.00 55.81 O HETATM 658 O HOH 49 6.615 11.657 7.224 1.00 10.99 O HETATM 659 O HOH 50 5.300 10.069 11.756 1.00 21.35 O HETATM 660 O HOH 51 21.498 -9.790 10.087 1.00 21.37 O HETATM 661 O HOH 52 9.136 3.883 19.274 1.00 16.46 O HETATM 662 O HOH 53 1.940 9.319 -1.369 1.00 22.44 O HETATM 663 O HOH 54 10.886 -3.640 16.737 1.00 12.01 O HETATM 664 O HOH 55 -2.778 -12.520 0.634 1.00 16.03 O HETATM 665 O HOH 56 -3.673 1.522 10.746 1.00 18.84 O HETATM 666 O HOH 57 11.582 -1.949 18.763 1.00 10.96 O HETATM 667 O HOH 58 -1.912 -1.571 18.369 1.00 16.39 O HETATM 668 O HOH 59 0.020 -15.467 9.327 1.00 18.53 O HETATM 669 O HOH 60 22.726 -3.275 8.361 1.00 18.33 O HETATM 670 O HOH 61 14.569 -3.295 -0.514 1.00 19.47 O HETATM 671 O HOH 62 11.898 -12.574 11.288 1.00 27.63 O HETATM 672 O HOH 63 3.332 -15.181 8.365 1.00 42.94 O HETATM 673 O HOH 64 21.896 2.637 14.802 1.00 27.41 O HETATM 674 O HOH 65 -5.521 -8.142 3.993 1.00 51.21 O HETATM 675 O HOH 66 17.153 4.848 9.131 1.00 37.24 O HETATM 676 O HOH 67 1.142 11.798 2.492 1.00 19.09 O HETATM 677 O HOH 68 -0.694 -0.658 1.201 1.00 18.97 O HETATM 678 O HOH 69 8.354 -13.348 13.000 1.00 21.87 O HETATM 679 O HOH 70 8.572 -5.675 -3.915 1.00 17.62 O HETATM 680 O HOH 71 9.664 -12.163 7.515 1.00 31.72 O HETATM 681 O HOH 72 1.879 14.541 2.181 1.00 22.79 O HETATM 682 O HOH 73 -3.193 -8.618 18.811 1.00 47.41 O HETATM 683 O HOH 74 5.803 -12.231 14.574 1.00 17.88 O HETATM 684 O HOH 75 3.476 -13.512 4.440 1.00 31.43 O HETATM 685 O HOH 76 14.751 4.090 2.453 1.00 23.29 O HETATM 686 O HOH 77 5.316 -2.217 -1.669 1.00 9.57 O HETATM 687 O HOH 78 7.433 7.957 17.984 1.00 31.49 O HETATM 688 O HOH 79 12.587 -12.823 -0.232 1.00 28.51 O HETATM 689 O HOH 80 4.781 11.440 9.389 1.00 15.14 O HETATM 690 O HOH 81 13.179 11.219 8.992 1.00 12.03 O HETATM 691 O HOH 82 7.802 9.357 14.404 1.00 31.16 O HETATM 692 O HOH 83 5.744 -13.076 17.054 1.00 41.14 O HETATM 693 O HOH 84 0.544 12.553 6.874 1.00 20.07 O HETATM 694 O HOH 85 9.105 10.509 8.057 1.00 13.79 O HETATM 695 O HOH 86 -4.849 -9.370 3.558 1.00 9.62 O HETATM 696 O HOH 87 -7.759 -10.205 15.280 1.00 18.54 O HETATM 697 O HOH 88 10.956 -3.840 17.895 1.00 48.43 O HETATM 698 O HOH 89 3.838 8.816 16.060 1.00 40.74 O HETATM 699 O HOH 90 19.010 -7.530 6.104 1.00140.56 O HETATM 700 O HOH 91 -3.422 -13.135 16.215 1.00 25.10 O HETATM 701 O HOH 92 15.665 -5.820 0.538 1.00 18.98 O HETATM 702 O HOH 93 1.073 12.830 3.533 1.00 48.30 O HETATM 703 O HOH 94 22.566 -8.359 14.502 1.00 86.28 O HETATM 704 O HOH 95 -2.998 1.228 12.229 1.00 67.13 O HETATM 705 O HOH 96 6.117 -13.976 5.834 1.00 40.86 O HETATM 706 O HOH 97 -7.445 -8.631 13.044 1.00 11.46 O HETATM 707 O HOH 98 0.922 4.888 18.198 1.00 33.62 O HETATM 708 O HOH 99 0.462 -4.014 1.046 1.00 14.65 O HETATM 709 O HOH 100 0.000 10.430 0.000 1.00 20.46 O HETATM 710 O HOH 101 17.374 -12.182 16.156 1.00 82.28 O HETATM 711 O HOH 102 7.552 -9.239 -2.565 1.00 13.65 O HETATM 712 O HOH 103 11.202 3.566 0.218 1.00 29.99 O HETATM 713 O HOH 104 2.264 2.768 19.684 1.00 16.97 O HETATM 714 O HOH 105 16.565 -6.865 3.264 1.00 23.95 O HETATM 715 O HOH 106 16.653 2.085 2.303 1.00 34.28 O HETATM 716 O HOH 107 12.612 15.747 4.282 1.00 14.75 O HETATM 717 O HOH 108 5.588 6.738 -1.805 1.00 26.42 O HETATM 718 O HOH 109 15.075 -11.997 17.626 1.00 17.93 O HETATM 719 O HOH 110 9.998 -14.709 14.603 1.00 67.69 O HETATM 720 O HOH 111 1.453 -12.360 15.362 1.00 61.78 O HETATM 721 O HOH 112 -8.816 -6.177 13.100 1.00 37.96 O HETATM 722 O HOH 113 23.459 -0.541 7.753 1.00 34.95 O HETATM 723 O HOH 114 20.908 -11.495 8.499 1.00 51.84 O HETATM 724 O HOH 115 -0.764 -14.335 0.982 1.00 29.37 O HETATM 725 O HOH 116 -2.612 -2.736 1.908 1.00 16.68 O HETATM 726 O HOH 117 13.459 -14.243 17.402 1.00 27.27 O HETATM 727 O HOH 118 2.571 16.017 -0.112 1.00 32.11 O HETATM 728 O HOH 119 12.194 1.181 -1.559 1.00 37.05 O HETATM 729 O HOH 120 21.131 -7.681 4.656 1.00 49.04 O HETATM 730 O HOH 121 -8.498 -4.283 14.558 1.00 38.01 O HETATM 731 O HOH 122 5.529 8.761 -3.644 1.00 35.47 O HETATM 732 O HOH 123 -4.629 -1.858 12.282 1.00 19.36 O HETATM 733 O HOH 124 19.887 -4.329 2.243 1.00 37.68 O HETATM 734 O HOH 125 5.806 1.138 22.076 1.00 9.68 O HETATM 735 O HOH 126 9.012 12.156 10.372 1.00 18.85 O HETATM 736 O HOH 127 -9.822 -5.806 10.773 1.00 20.44 O HETATM 737 O HOH 128 3.919 3.139 21.843 1.00 14.11 O HETATM 738 O HOH 129 -6.446 -12.985 16.354 1.00 20.90 O HETATM 739 O HOH 130 -3.841 0.061 14.076 1.00 33.43 O HETATM 740 O HOH 131 -7.226 -14.233 14.184 1.00 7.66 O HETATM 741 O HOH 132 7.282 7.405 -3.099 1.00 35.34 O HETATM 742 O HOH 133 -9.932 -13.437 18.763 1.00 17.79 O HETATM 743 CAH UNN A 134 11.819 4.416 11.409 1.00 -0.06 C HETATM 744 CAG UNN A 134 10.560 4.012 10.917 1.00 -0.07 C HETATM 745 CAJ UNN A 134 9.567 4.908 10.720 1.00 -0.06 C HETATM 746 CBC UNN A 134 9.779 6.303 10.993 1.00 -0.02 C HETATM 747 CAI UNN A 134 8.757 7.254 10.751 1.00 -0.06 C HETATM 748 CAC UNN A 134 8.980 8.560 11.024 1.00 -0.06 C HETATM 749 CAE UNN A 134 10.207 8.994 11.562 1.00 -0.06 C HETATM 750 CAL UNN A 134 11.232 8.115 11.811 1.00 -0.05 C HETATM 751 CBE UNN A 134 11.031 6.729 11.525 1.00 -0.01 C HETATM 752 CAX UNN A 134 12.053 5.755 11.697 1.00 -0.01 C HETATM 753 CAQ UNN A 134 13.426 6.193 12.183 1.00 0.07 C HETATM 754 NAU UNN A 134 14.451 5.167 12.054 1.00 -0.27 N HETATM 755 CAW UNN A 134 14.770 4.300 13.042 1.00 0.21 C HETATM 756 OAB UNN A 134 14.170 4.123 14.114 1.00 -0.39 O HETATM 757 CBA UNN A 134 15.764 3.304 12.705 1.00 0.10 C HETATM 758 CAZ UNN A 134 16.372 2.338 13.548 1.00 0.03 C HETATM 759 CAS UNN A 134 16.174 1.979 14.981 1.00 -0.01 C HETATM 760 NBG UNN A 134 17.225 1.102 15.409 1.00 0.25 N HETATM 761 CAP UNN A 134 17.675 0.054 14.513 1.00 -0.02 C HETATM 762 CAO UNN A 134 18.188 0.601 13.201 1.00 0.05 C HETATM 763 CBB UNN A 134 17.286 1.696 12.750 1.00 0.08 C HETATM 764 NBH UNN A 134 17.215 2.259 11.516 1.00 -0.21 N HETATM 765 NAT UNN A 134 16.289 3.238 11.472 1.00 -0.21 N HETATM 766 CAA UNN A 134 18.020 1.918 10.341 1.00 0.06 C HETATM 767 H13 UNN A 134 18.708 1.098 10.594 1.00 0.06 H HETATM 768 H14 UNN A 134 18.599 2.798 10.025 1.00 0.06 H HETATM 769 H15 UNN A 134 17.358 1.601 9.522 1.00 0.06 H HETATM 770 H16 UNN A 134 19.206 0.994 13.338 1.00 0.05 H HETATM 771 H17 UNN A 134 18.202 -0.200 12.447 1.00 0.05 H HETATM 772 H18 UNN A 134 18.485 -0.507 15.003 1.00 0.08 H HETATM 773 H19 UNN A 134 16.832 -0.623 14.309 1.00 0.08 H HETATM 774 CAR UNN A 134 17.170 0.672 16.806 1.00 -0.01 C HETATM 775 CAY UNN A 134 16.064 -0.342 17.023 1.00 -0.00 C HETATM 776 CBF UNN A 134 16.107 -1.780 16.889 1.00 -0.02 C HETATM 777 CAM UNN A 134 17.116 -2.686 16.541 1.00 -0.07 C HETATM 778 CAF UNN A 134 16.793 -4.057 16.553 1.00 -0.08 C HETATM 779 CAD UNN A 134 15.539 -4.539 16.842 1.00 -0.08 C HETATM 780 CAK UNN A 134 14.553 -3.642 17.200 1.00 -0.04 C HETATM 781 CBD UNN A 134 14.854 -2.269 17.229 1.00 0.06 C HETATM 782 NAV UNN A 134 14.066 -1.184 17.552 1.00 -0.29 N HETATM 783 CAN UNN A 134 14.827 -0.024 17.442 1.00 0.02 C HETATM 784 H28 UNN A 134 14.476 0.983 17.661 1.00 0.08 H HETATM 785 H27 UNN A 134 13.075 -1.226 17.830 1.00 0.22 H HETATM 786 H26 UNN A 134 13.559 -3.992 17.456 1.00 0.05 H HETATM 787 H25 UNN A 134 15.329 -5.601 16.790 1.00 0.05 H HETATM 788 H24 UNN A 134 17.576 -4.770 16.322 1.00 0.05 H HETATM 789 H23 UNN A 134 18.109 -2.345 16.272 1.00 0.05 H HETATM 790 H21 UNN A 134 16.984 1.548 17.444 1.00 0.09 H HETATM 791 H22 UNN A 134 18.133 0.217 17.080 1.00 0.09 H HETATM 792 H20 UNN A 134 18.015 1.728 15.407 1.00 0.20 H HETATM 793 H11 UNN A 134 15.204 1.474 15.101 1.00 0.09 H HETATM 794 H12 UNN A 134 16.189 2.893 15.592 1.00 0.09 H HETATM 795 H10 UNN A 134 14.946 5.100 11.188 1.00 0.19 H HETATM 796 H8 UNN A 134 13.346 6.471 13.244 1.00 0.07 H HETATM 797 H9 UNN A 134 13.738 7.070 11.597 1.00 0.07 H HETATM 798 H7 UNN A 134 12.175 8.465 12.216 1.00 0.06 H HETATM 799 H6 UNN A 134 10.345 10.046 11.785 1.00 0.06 H HETATM 800 H5 UNN A 134 8.200 9.286 10.825 1.00 0.06 H HETATM 801 H4 UNN A 134 7.801 6.937 10.349 1.00 0.06 H HETATM 802 H3 UNN A 134 8.604 4.572 10.353 1.00 0.05 H HETATM 803 H2 UNN A 134 10.386 2.966 10.693 1.00 0.06 H HETATM 804 H1 UNN A 134 12.603 3.683 11.562 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 743 744 752 804 CONECT 744 743 745 803 CONECT 745 744 746 802 CONECT 746 745 747 751 CONECT 747 746 748 801 CONECT 748 747 749 800 CONECT 749 748 750 799 CONECT 750 749 751 798 CONECT 751 746 750 752 CONECT 752 743 751 753 CONECT 753 752 754 796 797 CONECT 754 753 755 795 CONECT 755 754 756 757 CONECT 756 755 CONECT 757 755 758 765 CONECT 758 757 759 763 CONECT 759 758 760 793 794 CONECT 760 759 761 774 792 CONECT 761 760 762 772 773 CONECT 762 761 763 770 771 CONECT 763 758 762 764 CONECT 764 763 765 766 CONECT 765 757 764 CONECT 766 764 767 768 769 CONECT 767 766 CONECT 768 766 CONECT 769 766 CONECT 770 762 CONECT 771 762 CONECT 772 761 CONECT 773 761 CONECT 774 760 775 790 791 CONECT 775 774 776 783 CONECT 776 775 777 781 CONECT 777 776 778 789 CONECT 778 777 779 788 CONECT 779 778 780 787 CONECT 780 779 781 786 CONECT 781 776 780 782 CONECT 782 781 783 785 CONECT 783 775 782 784 CONECT 784 783 CONECT 785 782 CONECT 786 780 CONECT 787 779 CONECT 788 778 CONECT 789 777 CONECT 790 774 CONECT 791 774 CONECT 792 760 CONECT 793 759 CONECT 794 759 CONECT 795 754 CONECT 796 753 CONECT 797 753 CONECT 798 750 CONECT 799 749 CONECT 800 748 CONECT 801 747 CONECT 802 745 CONECT 803 744 CONECT 804 743 MASTER 0 0 0 0 0 0 0 0 803 1 66 5 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5l87
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5l8a
RCSB PDB
PDBbind
69aa, >5L8A_1|Chains... at 100%
5n8v
RCSB PDB
PDBbind
69aa, >5N8V_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5l87
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Peroxin 14
Ligand Name
6RD
EC.Number
E.C.-.-.-.-
Resolution
0.87(Å)
Affinity (Kd/Ki/IC50)
Ki=8.43uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Science Vol. 355: pp. 1416-1420
Ligand Properties
Formula
C
2
8
H
2
8
N
5
O
Molecular Weight
450.555
Exact Mass
450.229
No. of atoms
62
No. of bonds
67
Polar Surface Area
67.15
LOGP Value
4.11 (
Computed with XLOGP3
)
5.09 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 6
Canonical SMILES
O=C(c1nn(c2c1C[N@H+](CC2)Cc1c[nH]c2c1cccc2)C)NCc1cccc2c1cccc2
InChI String
InChI=1S/C28H27N5O/c1-32-26-13-14-33(17-21-16-29-25-12-5-4-11-23(21)25)18-24(26)27(31-32)28(34)30-15-20-9-6-8-19-7-2-3-10-22(19)20/h2-12,16,29H,13-15,17-18H2,1H3,(H,30,34)/p+1
Links to External Databases
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UniProtKB AC
UniProt accession number (AC):
Q8IEW2
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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