Datasets
Models
Diff of
/tests/data/pdb/4ljh_pocket.pdb
[000000]
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[3b722e]
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--- a +++ b/tests/data/pdb/4ljh_pocket.pdb @@ -0,0 +1,473 @@ +ATOM 1 N ALA A 34 6.207 5.802 27.565 1.00 13.28 N +ATOM 2 CA ALA A 34 7.497 5.364 28.081 1.00 13.40 C +ATOM 3 C ALA A 34 8.119 6.420 28.975 1.00 16.65 C +ATOM 4 O ALA A 34 7.739 7.590 28.937 1.00 13.98 O +ATOM 5 CB ALA A 34 8.436 5.027 26.928 1.00 13.07 C +ATOM 6 N SER A 35 9.088 6.004 29.779 1.00 13.25 N +ATOM 7 CA SER A 35 9.786 6.940 30.654 1.00 12.24 C +ATOM 8 C SER A 35 11.287 6.723 30.619 1.00 12.93 C +ATOM 9 O SER A 35 11.756 5.600 30.426 1.00 14.86 O +ATOM 10 CB SER A 35 9.299 6.795 32.099 1.00 16.34 C +ATOM 11 OG SER A 35 10.057 7.620 32.968 1.00 15.68 O +ATOM 12 N TYR A 36 12.018 7.813 30.825 1.00 12.74 N +ATOM 13 CA TYR A 36 13.475 7.800 30.946 1.00 12.93 C +ATOM 14 C TYR A 36 13.899 7.696 32.416 1.00 14.65 C +ATOM 15 O TYR A 36 15.076 7.810 32.728 1.00 14.30 O +ATOM 16 CB TYR A 36 14.058 9.076 30.328 1.00 15.76 C +ATOM 17 CG TYR A 36 13.420 10.336 30.863 1.00 14.32 C +ATOM 18 CD1 TYR A 36 12.325 10.917 30.223 1.00 15.21 C +ATOM 19 CD2 TYR A 36 13.889 10.930 32.029 1.00 17.79 C +ATOM 20 CE1 TYR A 36 11.722 12.062 30.731 1.00 19.22 C +ATOM 21 CE2 TYR A 36 13.297 12.076 32.543 1.00 19.58 C +ATOM 22 CZ TYR A 36 12.222 12.640 31.891 1.00 20.26 C +ATOM 23 OH TYR A 36 11.640 13.777 32.408 1.00 21.76 O +ATOM 24 N GLY A 37 12.950 7.506 33.325 1.00 14.50 N +ATOM 25 CA GLY A 37 13.288 7.392 34.739 1.00 15.78 C +ATOM 26 C GLY A 37 12.136 7.658 35.698 1.00 16.92 C +ATOM 27 O GLY A 37 11.846 6.838 36.574 1.00 16.89 O +ATOM 28 N PRO A 38 11.471 8.814 35.552 1.00 16.00 N +ATOM 29 CA PRO A 38 10.353 9.140 36.450 1.00 17.32 C +ATOM 30 C PRO A 38 9.167 8.174 36.387 1.00 16.20 C +ATOM 31 O PRO A 38 9.027 7.372 35.453 1.00 15.63 O +ATOM 32 CB PRO A 38 9.921 10.529 35.971 1.00 19.25 C +ATOM 33 CG PRO A 38 11.155 11.120 35.402 1.00 18.98 C +ATOM 34 CD PRO A 38 11.864 9.971 34.727 1.00 16.33 C +ATOM 35 N THR A 39 8.292 8.268 37.390 1.00 17.22 N +ATOM 36 CA THR A 39 7.105 7.421 37.417 1.00 15.92 C +ATOM 37 C THR A 39 6.118 7.796 36.307 1.00 19.56 C +ATOM 38 O THR A 39 5.365 6.951 35.827 1.00 25.23 O +ATOM 39 CB THR A 39 6.389 7.465 38.784 1.00 18.49 C +ATOM 40 OG1 THR A 39 6.025 8.816 39.099 1.00 23.70 O +ATOM 41 CG2 THR A 39 7.298 6.921 39.883 1.00 18.23 C +ATOM 42 N GLN A 40 6.124 9.063 35.905 1.00 16.43 N +ATOM 43 CA GLN A 40 5.295 9.511 34.782 1.00 16.90 C +ATOM 44 C GLN A 40 5.763 8.871 33.477 1.00 15.38 C +ATOM 45 O GLN A 40 6.905 8.423 33.375 1.00 16.93 O +ATOM 46 CB GLN A 40 5.395 11.028 34.650 1.00 25.58 C +ATOM 47 CG GLN A 40 4.833 11.778 35.840 1.00 39.17 C +ATOM 48 CD GLN A 40 5.414 13.176 35.970 1.00 54.33 C +ATOM 49 OE1 GLN A 40 5.711 13.634 37.072 1.00 60.71 O +ATOM 50 NE2 GLN A 40 5.583 13.858 34.842 1.00 52.95 N +ATOM 51 N LYS A 41 4.886 8.834 32.477 1.00 15.69 N +ATOM 52 CA LYS A 41 5.297 8.437 31.134 1.00 14.99 C +ATOM 53 C LYS A 41 4.920 9.495 30.108 1.00 16.40 C +ATOM 54 O LYS A 41 4.012 10.304 30.336 1.00 15.93 O +ATOM 55 CB LYS A 41 4.724 7.069 30.748 1.00 14.89 C +ATOM 56 CG LYS A 41 5.389 5.898 31.479 1.00 17.30 C +ATOM 57 CD LYS A 41 4.830 4.565 31.022 1.00 22.16 C +ATOM 58 CE LYS A 41 5.625 3.416 31.607 1.00 28.39 C +ATOM 59 NZ LYS A 41 7.050 3.530 31.212 1.00 40.81 N +ATOM 60 N TRP A 42 5.629 9.472 28.981 1.00 13.81 N +ATOM 61 CA TRP A 42 5.440 10.426 27.899 1.00 14.04 C +ATOM 62 C TRP A 42 5.245 9.660 26.604 1.00 13.82 C +ATOM 63 O TRP A 42 5.682 8.515 26.480 1.00 12.90 O +ATOM 64 CB TRP A 42 6.670 11.335 27.767 1.00 14.54 C +ATOM 65 CG TRP A 42 6.851 12.274 28.919 1.00 14.31 C +ATOM 66 CD1 TRP A 42 6.413 13.570 29.001 1.00 17.04 C +ATOM 67 CD2 TRP A 42 7.492 11.991 30.170 1.00 15.76 C +ATOM 68 NE1 TRP A 42 6.754 14.108 30.220 1.00 18.57 N +ATOM 69 CE2 TRP A 42 7.414 13.160 30.956 1.00 15.97 C +ATOM 70 CE3 TRP A 42 8.134 10.864 30.699 1.00 15.16 C +ATOM 71 CZ2 TRP A 42 7.948 13.236 32.248 1.00 17.91 C +ATOM 72 CZ3 TRP A 42 8.658 10.940 31.995 1.00 16.67 C +ATOM 73 CH2 TRP A 42 8.566 12.120 32.743 1.00 16.93 C +ATOM 74 N ASP A 47 9.532 14.393 26.478 1.00 13.61 N +ATOM 75 CA ASP A 47 9.212 15.361 27.525 1.00 15.17 C +ATOM 76 C ASP A 47 9.768 16.723 27.122 1.00 19.82 C +ATOM 77 O ASP A 47 10.975 16.952 27.164 1.00 19.73 O +ATOM 78 CB ASP A 47 9.822 14.884 28.854 1.00 16.18 C +ATOM 79 CG ASP A 47 9.612 15.864 30.002 1.00 17.31 C +ATOM 80 OD1 ASP A 47 8.936 16.899 29.826 1.00 20.32 O +ATOM 81 OD2 ASP A 47 10.113 15.571 31.106 1.00 18.09 O +ATOM 82 N ARG A 48 8.876 17.624 26.728 1.00 18.97 N +ATOM 83 CA ARG A 48 9.274 18.924 26.198 1.00 19.45 C +ATOM 84 C ARG A 48 9.882 19.835 27.270 1.00 19.66 C +ATOM 85 O ARG A 48 10.469 20.866 26.945 1.00 25.96 O +ATOM 86 CB ARG A 48 8.067 19.621 25.567 1.00 21.32 C +ATOM 87 CG ARG A 48 6.935 19.854 26.550 1.00 24.04 C +ATOM 88 CD ARG A 48 5.691 20.427 25.876 1.00 31.70 C +ATOM 89 NE ARG A 48 5.915 21.779 25.373 1.00 39.78 N +ATOM 90 CZ ARG A 48 5.763 22.882 26.099 1.00 48.84 C +ATOM 91 NH1 ARG A 48 5.389 22.799 27.369 1.00 44.77 N +ATOM 92 NH2 ARG A 48 5.989 24.070 25.556 1.00 56.86 N +ATOM 93 N GLU A 49 9.738 19.458 28.536 1.00 20.00 N +ATOM 94 CA GLU A 49 10.226 20.295 29.633 1.00 23.77 C +ATOM 95 C GLU A 49 11.565 19.811 30.166 1.00 26.37 C +ATOM 96 O GLU A 49 12.073 20.359 31.144 1.00 31.79 O +ATOM 97 CB GLU A 49 9.227 20.326 30.793 1.00 31.53 C +ATOM 98 CG GLU A 49 7.902 21.022 30.501 1.00 42.99 C +ATOM 99 CD GLU A 49 6.954 20.985 31.696 1.00 54.55 C +ATOM 100 OE1 GLU A 49 7.349 20.445 32.753 1.00 58.69 O +ATOM 101 OE2 GLU A 49 5.816 21.491 31.582 1.00 53.83 O +ATOM 102 N HIS A 50 12.135 18.792 29.532 1.00 20.81 N +ATOM 103 CA HIS A 50 13.326 18.141 30.079 1.00 21.39 C +ATOM 104 C HIS A 50 14.604 18.661 29.433 1.00 21.95 C +ATOM 105 O HIS A 50 14.670 18.821 28.219 1.00 22.07 O +ATOM 106 CB HIS A 50 13.238 16.627 29.887 1.00 22.17 C +ATOM 107 CG HIS A 50 14.165 15.857 30.775 1.00 20.51 C +ATOM 108 ND1 HIS A 50 13.950 15.711 32.120 1.00 19.85 N +ATOM 109 CD2 HIS A 50 15.317 15.186 30.501 1.00 18.18 C +ATOM 110 CE1 HIS A 50 14.925 14.991 32.657 1.00 18.86 C +ATOM 111 NE2 HIS A 50 15.768 14.662 31.680 1.00 18.35 N +ATOM 112 N PRO A 51 15.637 18.917 30.247 1.00 20.77 N +ATOM 113 CA PRO A 51 16.883 19.384 29.637 1.00 22.01 C +ATOM 114 C PRO A 51 17.583 18.272 28.866 1.00 20.47 C +ATOM 115 O PRO A 51 17.388 17.094 29.171 1.00 21.09 O +ATOM 116 CB PRO A 51 17.730 19.786 30.848 1.00 21.12 C +ATOM 117 CG PRO A 51 17.220 18.938 31.954 1.00 25.17 C +ATOM 118 CD PRO A 51 15.739 18.799 31.711 1.00 21.68 C +ATOM 119 N ASP A 52 18.393 18.659 27.883 1.00 18.44 N +ATOM 120 CA ASP A 52 19.233 17.736 27.123 1.00 18.78 C +ATOM 121 C ASP A 52 20.549 17.559 27.869 1.00 22.29 C +ATOM 122 O ASP A 52 21.384 18.466 27.893 1.00 25.85 O +ATOM 123 CB ASP A 52 19.493 18.312 25.726 1.00 20.21 C +ATOM 124 CG ASP A 52 20.339 17.398 24.842 1.00 21.14 C +ATOM 125 OD1 ASP A 52 21.080 16.526 25.355 1.00 21.38 O +ATOM 126 OD2 ASP A 52 20.266 17.570 23.608 1.00 23.19 O +ATOM 127 N GLN A 53 20.738 16.390 28.472 1.00 19.75 N +ATOM 128 CA GLN A 53 21.922 16.141 29.289 1.00 23.52 C +ATOM 129 C GLN A 53 22.926 15.259 28.561 1.00 20.84 C +ATOM 130 O GLN A 53 23.734 14.573 29.191 1.00 22.96 O +ATOM 131 CB GLN A 53 21.530 15.497 30.624 1.00 22.04 C +ATOM 132 CG GLN A 53 20.542 16.312 31.437 1.00 21.69 C +ATOM 133 CD GLN A 53 20.339 15.757 32.830 1.00 27.38 C +ATOM 134 OE1 GLN A 53 19.830 14.649 33.007 1.00 27.11 O +ATOM 135 NE2 GLN A 53 20.747 16.525 33.832 1.00 28.56 N +ATOM 136 N GLY A 54 22.880 15.285 27.235 1.00 18.92 N +ATOM 137 CA GLY A 54 23.751 14.454 26.422 1.00 18.14 C +ATOM 138 C GLY A 54 22.994 13.372 25.669 1.00 18.52 C +ATOM 139 O GLY A 54 23.457 12.240 25.553 1.00 18.38 O +ATOM 140 N LEU A 55 21.823 13.724 25.143 1.00 16.76 N +ATOM 141 CA LEU A 55 20.974 12.764 24.440 1.00 17.85 C +ATOM 142 C LEU A 55 21.623 12.212 23.176 1.00 16.63 C +ATOM 143 O LEU A 55 22.431 12.888 22.540 1.00 18.55 O +ATOM 144 CB LEU A 55 19.659 13.432 24.069 1.00 15.85 C +ATOM 145 CG LEU A 55 18.862 13.876 25.297 1.00 16.62 C +ATOM 146 CD1 LEU A 55 17.754 14.832 24.890 1.00 17.97 C +ATOM 147 CD2 LEU A 55 18.305 12.655 26.037 1.00 16.86 C +ATOM 148 N PHE A 61 13.344 15.692 21.939 1.00 16.55 N +ATOM 149 CA PHE A 61 13.314 15.736 23.393 1.00 16.57 C +ATOM 150 C PHE A 61 13.732 14.403 24.000 1.00 14.01 C +ATOM 151 O PHE A 61 13.651 13.357 23.351 1.00 14.63 O +ATOM 152 CB PHE A 61 11.912 16.095 23.888 1.00 16.62 C +ATOM 153 CG PHE A 61 11.504 17.508 23.588 1.00 20.93 C +ATOM 154 CD1 PHE A 61 12.240 18.577 24.076 1.00 23.17 C +ATOM 155 CD2 PHE A 61 10.358 17.768 22.847 1.00 20.78 C +ATOM 156 CE1 PHE A 61 11.853 19.883 23.817 1.00 23.42 C +ATOM 157 CE2 PHE A 61 9.962 19.064 22.585 1.00 22.72 C +ATOM 158 CZ PHE A 61 10.707 20.128 23.066 1.00 21.92 C +ATOM 159 N CYS A 62 14.191 14.453 25.246 1.00 15.23 N +ATOM 160 CA CYS A 62 14.410 13.239 26.008 1.00 15.79 C +ATOM 161 C CYS A 62 13.111 12.441 26.051 1.00 13.12 C +ATOM 162 O CYS A 62 12.053 12.989 26.359 1.00 14.93 O +ATOM 163 CB CYS A 62 14.874 13.587 27.424 1.00 17.95 C +ATOM 164 SG CYS A 62 15.275 12.158 28.440 1.00 16.28 S +ATOM 165 N GLY A 63 13.185 11.152 25.734 1.00 13.17 N +ATOM 166 CA GLY A 63 11.999 10.305 25.717 1.00 12.61 C +ATOM 167 C GLY A 63 11.282 10.225 24.373 1.00 13.45 C +ATOM 168 O GLY A 63 10.260 9.545 24.251 1.00 13.99 O +ATOM 169 N TYR A 98 14.900 4.697 21.588 1.00 11.92 N +ATOM 170 CA TYR A 98 14.411 5.671 22.553 1.00 12.92 C +ATOM 171 C TYR A 98 15.511 6.695 22.785 1.00 14.05 C +ATOM 172 O TYR A 98 16.683 6.328 22.933 1.00 14.41 O +ATOM 173 CB TYR A 98 14.087 4.951 23.861 1.00 12.54 C +ATOM 174 CG TYR A 98 13.286 5.739 24.883 1.00 12.07 C +ATOM 175 CD1 TYR A 98 11.956 6.058 24.648 1.00 13.92 C +ATOM 176 CD2 TYR A 98 13.844 6.118 26.092 1.00 13.11 C +ATOM 177 CE1 TYR A 98 11.204 6.755 25.589 1.00 14.17 C +ATOM 178 CE2 TYR A 98 13.112 6.816 27.039 1.00 15.10 C +ATOM 179 CZ TYR A 98 11.787 7.130 26.779 1.00 15.00 C +ATOM 180 OH TYR A 98 11.036 7.819 27.717 1.00 14.82 O +ATOM 181 N ASN A 99 15.141 7.973 22.814 1.00 12.30 N +ATOM 182 CA ASN A 99 16.106 9.047 23.033 1.00 12.91 C +ATOM 183 C ASN A 99 16.411 9.261 24.517 1.00 12.89 C +ATOM 184 O ASN A 99 15.600 9.816 25.259 1.00 14.34 O +ATOM 185 CB ASN A 99 15.605 10.357 22.417 1.00 15.03 C +ATOM 186 CG ASN A 99 16.711 11.383 22.230 1.00 18.13 C +ATOM 187 OD1 ASN A 99 17.889 11.037 22.167 1.00 15.35 O +ATOM 188 ND2 ASN A 99 16.334 12.654 22.131 1.00 16.61 N +ATOM 189 N ASP A 100 17.588 8.812 24.945 1.00 13.29 N +ATOM 190 CA ASP A 100 18.061 9.041 26.310 1.00 13.88 C +ATOM 191 C ASP A 100 19.564 9.263 26.254 1.00 13.84 C +ATOM 192 O ASP A 100 20.170 9.214 25.180 1.00 14.14 O +ATOM 193 CB ASP A 100 17.740 7.843 27.215 1.00 13.44 C +ATOM 194 CG ASP A 100 17.613 8.220 28.694 1.00 15.10 C +ATOM 195 OD1 ASP A 100 17.931 9.364 29.091 1.00 14.38 O +ATOM 196 OD2 ASP A 100 17.182 7.345 29.469 1.00 13.86 O +ATOM 197 N VAL A 101 20.158 9.487 27.420 1.00 12.89 N +ATOM 198 CA VAL A 101 21.601 9.675 27.539 1.00 15.46 C +ATOM 199 C VAL A 101 22.297 8.319 27.601 1.00 16.13 C +ATOM 200 O VAL A 101 21.889 7.444 28.360 1.00 15.67 O +ATOM 201 CB VAL A 101 21.928 10.477 28.809 1.00 16.67 C +ATOM 202 CG1 VAL A 101 23.444 10.591 29.007 1.00 19.27 C +ATOM 203 CG2 VAL A 101 21.282 11.851 28.745 1.00 18.23 C +ATOM 204 N PRO A 102 23.353 8.124 26.790 1.00 16.57 N +ATOM 205 CA PRO A 102 24.048 6.833 26.844 1.00 14.75 C +ATOM 206 C PRO A 102 24.430 6.457 28.280 1.00 16.61 C +ATOM 207 O PRO A 102 24.822 7.320 29.064 1.00 16.96 O +ATOM 208 CB PRO A 102 25.304 7.084 26.003 1.00 14.73 C +ATOM 209 CG PRO A 102 24.859 8.106 24.996 1.00 16.47 C +ATOM 210 CD PRO A 102 23.891 9.004 25.739 1.00 16.71 C +ATOM 211 N GLY A 103 24.295 5.178 28.615 1.00 17.01 N +ATOM 212 CA GLY A 103 24.631 4.693 29.939 1.00 17.11 C +ATOM 213 C GLY A 103 23.516 4.831 30.960 1.00 17.07 C +ATOM 214 O GLY A 103 23.648 4.334 32.080 1.00 18.70 O +ATOM 215 N THR A 104 22.422 5.496 30.583 1.00 17.02 N +ATOM 216 CA THR A 104 21.345 5.763 31.533 1.00 16.58 C +ATOM 217 C THR A 104 20.038 5.078 31.148 1.00 14.70 C +ATOM 218 O THR A 104 18.984 5.401 31.691 1.00 15.69 O +ATOM 219 CB THR A 104 21.055 7.282 31.692 1.00 15.63 C +ATOM 220 OG1 THR A 104 20.327 7.767 30.554 1.00 17.19 O +ATOM 221 CG2 THR A 104 22.333 8.073 31.854 1.00 16.71 C +ATOM 222 N TYR A 105 20.097 4.118 30.233 1.00 14.63 N +ATOM 223 CA TYR A 105 18.884 3.437 29.793 1.00 17.23 C +ATOM 224 C TYR A 105 18.320 2.449 30.819 1.00 16.67 C +ATOM 225 O TYR A 105 17.158 2.046 30.720 1.00 14.91 O +ATOM 226 CB TYR A 105 19.126 2.722 28.465 1.00 15.81 C +ATOM 227 CG TYR A 105 19.121 3.634 27.257 1.00 14.72 C +ATOM 228 CD1 TYR A 105 20.194 4.473 26.992 1.00 17.09 C +ATOM 229 CD2 TYR A 105 18.048 3.644 26.371 1.00 14.79 C +ATOM 230 CE1 TYR A 105 20.197 5.302 25.892 1.00 16.01 C +ATOM 231 CE2 TYR A 105 18.045 4.467 25.272 1.00 15.58 C +ATOM 232 CZ TYR A 105 19.118 5.297 25.035 1.00 12.26 C +ATOM 233 OH TYR A 105 19.125 6.114 23.933 1.00 14.92 O +ATOM 234 N GLY A 106 19.128 2.072 31.812 1.00 16.53 N +ATOM 235 CA GLY A 106 18.748 1.009 32.724 1.00 16.78 C +ATOM 236 C GLY A 106 17.513 1.248 33.577 1.00 18.01 C +ATOM 237 O GLY A 106 16.868 0.294 34.001 1.00 18.72 O +ATOM 238 N ASN A 107 17.186 2.509 33.843 1.00 16.50 N +ATOM 239 CA ASN A 107 16.003 2.832 34.648 1.00 14.93 C +ATOM 240 C ASN A 107 14.780 3.202 33.802 1.00 15.77 C +ATOM 241 O ASN A 107 13.782 3.698 34.319 1.00 16.51 O +ATOM 242 CB ASN A 107 16.321 3.961 35.630 1.00 16.32 C +ATOM 243 CG ASN A 107 16.615 5.260 34.936 1.00 15.73 C +ATOM 244 OD1 ASN A 107 16.901 5.275 33.741 1.00 15.60 O +ATOM 245 ND2 ASN A 107 16.551 6.362 35.672 1.00 16.68 N +ATOM 246 N ASN A 108 14.859 2.954 32.500 1.00 14.83 N +ATOM 247 CA ASN A 108 13.758 3.295 31.612 1.00 13.73 C +ATOM 248 C ASN A 108 12.669 2.246 31.642 1.00 17.51 C +ATOM 249 O ASN A 108 12.910 1.088 31.988 1.00 18.99 O +ATOM 250 CB ASN A 108 14.272 3.469 30.179 1.00 13.86 C +ATOM 251 CG ASN A 108 15.230 4.635 30.052 1.00 14.52 C +ATOM 252 OD1 ASN A 108 15.519 5.308 31.027 1.00 14.26 O +ATOM 253 ND2 ASN A 108 15.717 4.885 28.843 1.00 13.19 N +ATOM 254 N SER A 109 11.460 2.649 31.271 1.00 15.23 N +ATOM 255 CA SER A 109 10.350 1.717 31.243 1.00 15.39 C +ATOM 256 C SER A 109 9.370 2.059 30.140 1.00 16.25 C +ATOM 257 O SER A 109 9.356 3.179 29.612 1.00 15.56 O +ATOM 258 CB SER A 109 9.622 1.697 32.583 1.00 19.42 C +ATOM 259 OG SER A 109 9.104 2.978 32.880 1.00 22.84 O +HETATM 260 CA CA A 201 17.133 6.906 31.905 1.00 13.93 CA +HETATM 261 O HOH A1004 18.494 14.682 28.672 1.00 19.54 O +HETATM 262 O HOH A1007 8.885 8.950 26.518 1.00 15.63 O +HETATM 263 O HOH A1012 21.898 2.209 32.626 1.00 20.13 O +HETATM 264 O HOH A1017 13.589 5.057 37.549 1.00 18.41 O +HETATM 265 O HOH A1028 18.656 21.600 27.331 1.00 34.66 O +HETATM 266 O HOH A1029 7.309 5.115 34.441 1.00 22.50 O +HETATM 267 O HOH A1038 6.567 16.891 31.537 1.00 29.96 O +HETATM 268 O HOH A1043 15.104 16.828 26.292 1.00 28.46 O +HETATM 269 O HOH A1057 11.110 4.558 34.207 1.00 25.69 O +HETATM 270 O HOH A1058 16.495 17.859 23.779 1.00 33.60 O +HETATM 271 O HOH A1061 4.121 13.989 32.608 1.00 32.26 O +HETATM 272 O HOH A1069 6.195 16.964 27.762 1.00 33.03 O +HETATM 273 O HOH A1083 26.036 7.798 31.642 1.00 36.13 O +HETATM 274 O HOH A1088 20.875 17.830 36.907 1.00 35.56 O +HETATM 275 O HOH A1096 21.996 11.932 32.675 1.00 35.51 O +HETATM 276 O HOH A1105 22.246 15.464 36.636 1.00 35.44 O +HETATM 277 O HOH A1107 8.149 14.036 36.269 1.00 46.11 O +HETATM 278 O HOH A1114 13.420 21.441 27.186 1.00 48.95 O +HETATM 279 O HOH A1119 24.281 13.178 31.650 1.00 41.75 O +HETATM 280 O HOH A1136 15.681 19.758 25.382 1.00 52.41 O +HETATM 281 O HOH A1149 25.297 10.707 32.551 1.00 44.65 O +HETATM 282 O HOH A1152 11.589 17.168 32.960 1.00 38.78 O +HETATM 283 O HOH A1153 10.184 15.028 34.691 1.00 42.85 O +CONECT 1 2 +CONECT 2 3 5 +CONECT 3 4 4 6 +CONECT 6 7 +CONECT 7 8 10 +CONECT 8 9 9 12 +CONECT 10 11 +CONECT 12 13 +CONECT 13 14 16 +CONECT 14 15 15 24 +CONECT 15 260 +CONECT 16 17 +CONECT 17 18 18 19 +CONECT 18 20 +CONECT 19 21 21 +CONECT 20 22 22 +CONECT 21 22 +CONECT 22 23 +CONECT 24 25 +CONECT 25 26 +CONECT 26 27 27 28 +CONECT 28 29 34 +CONECT 29 30 32 +CONECT 30 31 31 35 +CONECT 32 33 +CONECT 33 34 +CONECT 35 36 +CONECT 36 37 39 +CONECT 37 38 38 42 +CONECT 39 40 41 +CONECT 42 43 +CONECT 43 44 46 +CONECT 44 45 45 51 +CONECT 46 47 +CONECT 47 48 +CONECT 48 49 49 50 +CONECT 51 52 +CONECT 52 53 55 +CONECT 53 54 54 60 +CONECT 55 56 +CONECT 56 57 +CONECT 57 58 +CONECT 58 59 +CONECT 60 61 +CONECT 61 62 64 +CONECT 62 63 63 +CONECT 64 65 +CONECT 65 66 66 67 +CONECT 66 68 +CONECT 67 69 69 70 +CONECT 68 69 +CONECT 69 71 +CONECT 70 72 72 +CONECT 71 73 73 +CONECT 72 73 +CONECT 74 75 +CONECT 75 76 78 +CONECT 76 77 77 82 +CONECT 78 79 +CONECT 79 80 80 81 +CONECT 82 83 +CONECT 83 84 86 +CONECT 84 85 85 93 +CONECT 86 87 +CONECT 87 88 +CONECT 88 89 +CONECT 89 90 +CONECT 90 91 92 92 +CONECT 93 94 +CONECT 94 95 97 +CONECT 95 96 96 102 +CONECT 97 98 +CONECT 98 99 +CONECT 99 100 100 101 +CONECT 102 103 +CONECT 103 104 106 +CONECT 104 105 105 112 +CONECT 106 107 +CONECT 107 108 109 109 +CONECT 108 110 110 +CONECT 109 111 +CONECT 110 111 +CONECT 112 113 118 +CONECT 113 114 116 +CONECT 114 115 115 119 +CONECT 116 117 +CONECT 117 118 +CONECT 119 120 +CONECT 120 121 123 +CONECT 121 122 122 127 +CONECT 123 124 +CONECT 124 125 125 126 +CONECT 127 128 +CONECT 128 129 131 +CONECT 129 130 130 136 +CONECT 131 132 +CONECT 132 133 +CONECT 133 134 134 135 +CONECT 136 137 +CONECT 137 138 +CONECT 138 139 139 140 +CONECT 140 141 +CONECT 141 142 144 +CONECT 142 143 143 +CONECT 144 145 +CONECT 145 146 147 +CONECT 148 149 +CONECT 149 150 152 +CONECT 150 151 151 159 +CONECT 152 153 +CONECT 153 154 154 155 +CONECT 154 156 +CONECT 155 157 157 +CONECT 156 158 158 +CONECT 157 158 +CONECT 159 160 +CONECT 160 161 163 +CONECT 161 162 162 165 +CONECT 163 164 +CONECT 165 166 +CONECT 166 167 +CONECT 167 168 168 +CONECT 169 170 +CONECT 170 171 173 +CONECT 171 172 172 181 +CONECT 173 174 +CONECT 174 175 175 176 +CONECT 175 177 +CONECT 176 178 178 +CONECT 177 179 179 +CONECT 178 179 +CONECT 179 180 +CONECT 181 182 +CONECT 182 183 185 +CONECT 183 184 184 189 +CONECT 185 186 +CONECT 186 187 187 188 +CONECT 189 190 +CONECT 190 191 193 +CONECT 191 192 192 197 +CONECT 193 194 +CONECT 194 195 195 196 +CONECT 196 260 +CONECT 197 198 +CONECT 198 199 201 +CONECT 199 200 200 204 +CONECT 201 202 203 +CONECT 204 205 210 +CONECT 205 206 208 +CONECT 206 207 207 211 +CONECT 208 209 +CONECT 209 210 +CONECT 211 212 +CONECT 212 213 +CONECT 213 214 214 215 +CONECT 215 216 +CONECT 216 217 219 +CONECT 217 218 218 222 +CONECT 218 260 +CONECT 219 220 221 +CONECT 222 223 +CONECT 223 224 226 +CONECT 224 225 225 234 +CONECT 226 227 +CONECT 227 228 228 229 +CONECT 228 230 +CONECT 229 231 231 +CONECT 230 232 232 +CONECT 231 232 +CONECT 232 233 +CONECT 234 235 +CONECT 235 236 +CONECT 236 237 237 238 +CONECT 238 239 +CONECT 239 240 242 +CONECT 240 241 241 246 +CONECT 242 243 +CONECT 243 244 244 245 +CONECT 244 260 +CONECT 246 247 +CONECT 247 248 250 +CONECT 248 249 249 254 +CONECT 250 251 +CONECT 251 252 252 253 +CONECT 252 260 +CONECT 254 255 +CONECT 255 256 258 +CONECT 256 257 257 +CONECT 258 259 +END