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/tests/data/pdb/1cos_helix.pdb
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--- a +++ b/tests/data/pdb/1cos_helix.pdb @@ -0,0 +1,432 @@ +COMPND COILED SERINE +HETATM 1 C ACE B 0 5.232 -37.150 18.595 1.00 33.02 C +HETATM 2 O ACE B 0 6.066 -36.385 18.146 1.00 47.02 O +HETATM 3 CH3 ACE B 0 5.663 -38.340 19.417 1.00 37.37 C +ATOM 4 N GLU B 1 3.924 -36.949 18.539 1.00 23.67 N +ATOM 5 CA GLU B 1 3.293 -35.914 17.768 1.00 23.32 C +ATOM 6 C GLU B 1 3.627 -34.502 18.253 1.00 25.41 C +ATOM 7 O GLU B 1 3.845 -33.607 17.426 1.00 31.37 O +ATOM 8 CB GLU B 1 1.802 -36.243 17.777 1.00 35.07 C +ATOM 9 CG GLU B 1 0.956 -35.205 17.064 1.00 42.48 C +ATOM 10 CD GLU B 1 1.053 -35.354 15.601 1.00 66.52 C +ATOM 11 OE1 GLU B 1 0.961 -36.600 15.217 1.00 59.93 O +ATOM 12 OE2 GLU B 1 1.207 -34.399 14.878 1.00 56.20 O +ATOM 13 N TRP B 2 3.738 -34.287 19.599 1.00 40.69 N +ATOM 14 CA TRP B 2 4.136 -32.963 20.147 1.00 46.54 C +ATOM 15 C TRP B 2 5.581 -32.616 19.760 1.00 39.34 C +ATOM 16 O TRP B 2 5.966 -31.511 19.327 1.00 29.48 O +ATOM 17 CB TRP B 2 4.019 -32.920 21.688 1.00 29.62 C +ATOM 18 CG TRP B 2 4.245 -31.556 22.277 1.00 18.07 C +ATOM 19 CD1 TRP B 2 3.306 -30.609 22.484 1.00 24.21 C +ATOM 20 CD2 TRP B 2 5.437 -31.056 22.884 1.00 19.26 C +ATOM 21 NE1 TRP B 2 3.847 -29.479 22.989 1.00 16.67 N +ATOM 22 CE2 TRP B 2 5.168 -29.692 23.201 1.00 18.03 C +ATOM 23 CE3 TRP B 2 6.761 -31.564 22.989 1.00 22.82 C +ATOM 24 CZ2 TRP B 2 6.138 -28.856 23.764 1.00 24.43 C +ATOM 25 CZ3 TRP B 2 7.740 -30.686 23.425 1.00 24.17 C +ATOM 26 CH2 TRP B 2 7.425 -29.354 23.818 1.00 27.28 C +ATOM 27 N GLU B 3 6.401 -33.645 19.877 1.00 24.60 N +ATOM 28 CA GLU B 3 7.814 -33.553 19.531 1.00 28.80 C +ATOM 29 C GLU B 3 8.080 -33.189 18.098 1.00 24.04 C +ATOM 30 O GLU B 3 8.901 -32.327 17.828 1.00 28.93 O +ATOM 31 CB GLU B 3 8.545 -34.844 19.914 1.00 36.12 C +ATOM 32 CG GLU B 3 9.460 -34.538 21.106 1.00 46.80 C +ATOM 33 CD GLU B 3 10.722 -33.889 20.642 1.00 38.34 C +ATOM 34 OE1 GLU B 3 10.554 -32.735 20.052 1.00 49.77 O +ATOM 35 OE2 GLU B 3 11.738 -34.525 20.563 1.00 59.59 O +ATOM 36 N ALA B 4 7.365 -33.861 17.190 1.00 26.04 N +ATOM 37 CA ALA B 4 7.382 -33.493 15.761 1.00 35.74 C +ATOM 38 C ALA B 4 7.031 -32.021 15.573 1.00 26.57 C +ATOM 39 O ALA B 4 7.741 -31.314 14.903 1.00 34.25 O +ATOM 40 CB ALA B 4 6.422 -34.301 14.889 1.00 29.01 C +ATOM 41 N LEU B 5 5.932 -31.533 16.154 1.00 30.99 N +ATOM 42 CA LEU B 5 5.574 -30.127 16.016 1.00 24.10 C +ATOM 43 C LEU B 5 6.658 -29.274 16.628 1.00 23.86 C +ATOM 44 O LEU B 5 6.834 -28.127 16.247 1.00 28.01 O +ATOM 45 CB LEU B 5 4.257 -29.811 16.773 1.00 35.11 C +ATOM 46 CG LEU B 5 3.080 -30.706 16.335 1.00 44.77 C +ATOM 47 CD1 LEU B 5 1.791 -30.216 16.948 1.00 36.06 C +ATOM 48 CD2 LEU B 5 2.902 -30.584 14.835 1.00 44.44 C +ATOM 49 N GLU B 6 7.271 -29.800 17.688 1.00 36.59 N +ATOM 50 CA GLU B 6 8.291 -29.075 18.442 1.00 36.46 C +ATOM 51 C GLU B 6 9.585 -28.840 17.642 1.00 34.82 C +ATOM 52 O GLU B 6 10.107 -27.695 17.525 1.00 25.11 O +ATOM 53 CB GLU B 6 8.578 -29.772 19.766 1.00 29.99 C +ATOM 54 CG GLU B 6 9.737 -29.085 20.470 1.00 35.24 C +ATOM 55 CD GLU B 6 9.319 -27.803 21.112 1.00 55.03 C +ATOM 56 OE1 GLU B 6 8.167 -27.365 21.101 1.00 52.28 O +ATOM 57 OE2 GLU B 6 10.325 -27.234 21.726 1.00 44.63 O +ATOM 58 N LYS B 7 10.044 -29.931 17.012 1.00 28.23 N +ATOM 59 CA LYS B 7 11.186 -29.860 16.108 1.00 30.16 C +ATOM 60 C LYS B 7 10.948 -28.825 14.988 1.00 36.66 C +ATOM 61 O LYS B 7 11.731 -27.894 14.809 1.00 36.99 O +ATOM 62 CB LYS B 7 11.523 -31.221 15.497 1.00 27.60 C +ATOM 63 CG LYS B 7 11.896 -32.293 16.502 1.00 35.02 C +ATOM 64 CD LYS B 7 12.378 -33.553 15.792 1.00 55.04 C +ATOM 65 CE LYS B 7 12.555 -34.800 16.677 1.00 68.79 C +ATOM 66 NZ LYS B 7 11.434 -35.792 16.646 1.00 52.02 N +ATOM 67 N LYS B 8 9.782 -28.945 14.317 1.00 25.58 N +ATOM 68 CA LYS B 8 9.324 -28.132 13.201 1.00 17.75 C +ATOM 69 C LYS B 8 9.363 -26.661 13.556 1.00 18.13 C +ATOM 70 O LYS B 8 9.994 -25.870 12.866 1.00 28.85 O +ATOM 71 CB LYS B 8 7.902 -28.550 12.789 1.00 35.35 C +ATOM 72 CG LYS B 8 7.716 -29.844 11.969 1.00 34.62 C +ATOM 73 CD LYS B 8 8.632 -31.043 12.266 1.00 50.89 C +ATOM 74 CE LYS B 8 8.426 -32.287 11.361 1.00 66.53 C +ATOM 75 NZ LYS B 8 7.918 -33.566 11.964 1.00 47.64 N +ATOM 76 N LEU B 9 8.733 -26.297 14.679 1.00 27.17 N +ATOM 77 CA LEU B 9 8.793 -24.931 15.236 1.00 27.53 C +ATOM 78 C LEU B 9 10.211 -24.438 15.492 1.00 25.06 C +ATOM 79 O LEU B 9 10.524 -23.291 15.273 1.00 28.85 O +ATOM 80 CB LEU B 9 8.103 -24.824 16.583 1.00 24.83 C +ATOM 81 CG LEU B 9 6.646 -24.476 16.547 1.00 31.43 C +ATOM 82 CD1 LEU B 9 6.143 -24.625 17.968 1.00 32.34 C +ATOM 83 CD2 LEU B 9 6.509 -23.030 16.099 1.00 25.23 C +ATOM 84 N ALA B 10 11.031 -25.258 16.096 1.00 22.15 N +ATOM 85 CA ALA B 10 12.415 -24.880 16.296 1.00 32.98 C +ATOM 86 C ALA B 10 13.169 -24.630 14.960 1.00 38.54 C +ATOM 87 O ALA B 10 13.990 -23.702 14.863 1.00 33.83 O +ATOM 88 CB ALA B 10 13.081 -25.982 17.107 1.00 36.08 C +ATOM 89 N ALA B 11 12.890 -25.419 13.894 1.00 44.66 N +ATOM 90 CA ALA B 11 13.553 -25.207 12.580 1.00 26.43 C +ATOM 91 C ALA B 11 13.063 -23.976 11.871 1.00 30.75 C +ATOM 92 O ALA B 11 13.842 -23.366 11.147 1.00 38.12 O +ATOM 93 CB ALA B 11 13.533 -26.395 11.629 1.00 18.55 C +ATOM 94 N LEU B 12 11.785 -23.611 12.115 1.00 20.18 N +ATOM 95 CA LEU B 12 11.240 -22.373 11.615 1.00 18.20 C +ATOM 96 C LEU B 12 11.885 -21.187 12.257 1.00 22.17 C +ATOM 97 O LEU B 12 12.120 -20.185 11.570 1.00 31.69 O +ATOM 98 CB LEU B 12 9.720 -22.246 11.759 1.00 26.00 C +ATOM 99 CG LEU B 12 9.050 -22.986 10.617 1.00 32.90 C +ATOM 100 CD1 LEU B 12 7.558 -23.038 10.850 1.00 30.50 C +ATOM 101 CD2 LEU B 12 9.419 -22.303 9.289 1.00 31.19 C +ATOM 102 N GLU B 13 12.197 -21.355 13.570 1.00 32.35 N +ATOM 103 CA GLU B 13 12.865 -20.358 14.433 1.00 27.61 C +ATOM 104 C GLU B 13 14.262 -20.043 13.961 1.00 31.04 C +ATOM 105 O GLU B 13 14.599 -18.905 13.646 1.00 29.44 O +ATOM 106 CB GLU B 13 12.888 -20.780 15.891 1.00 22.65 C +ATOM 107 CG GLU B 13 12.780 -19.542 16.783 1.00 46.07 C +ATOM 108 CD GLU B 13 12.691 -19.912 18.253 1.00 52.27 C +ATOM 109 OE1 GLU B 13 12.720 -21.067 18.676 1.00 43.67 O +ATOM 110 OE2 GLU B 13 12.471 -18.860 19.008 1.00 50.57 O +ATOM 111 N SER B 14 15.050 -21.085 13.768 1.00 26.38 N +ATOM 112 CA SER B 14 16.392 -20.919 13.204 1.00 27.26 C +ATOM 113 C SER B 14 16.392 -20.147 11.893 1.00 25.38 C +ATOM 114 O SER B 14 17.193 -19.268 11.701 1.00 31.40 O +ATOM 115 CB SER B 14 17.049 -22.275 13.069 1.00 34.11 C +ATOM 116 OG SER B 14 17.201 -22.833 14.372 1.00 39.55 O +ATOM 117 N LYS B 15 15.433 -20.430 11.014 1.00 28.62 N +ATOM 118 CA LYS B 15 15.261 -19.695 9.771 1.00 27.37 C +ATOM 119 C LYS B 15 14.929 -18.230 9.919 1.00 21.51 C +ATOM 120 O LYS B 15 15.610 -17.396 9.354 1.00 28.58 O +ATOM 121 CB LYS B 15 14.293 -20.354 8.816 1.00 25.34 C +ATOM 122 CG LYS B 15 14.716 -21.792 8.580 1.00 30.31 C +ATOM 123 CD LYS B 15 14.077 -22.306 7.319 1.00 39.71 C +ATOM 124 CE LYS B 15 14.816 -23.479 6.753 1.00 40.55 C +ATOM 125 NZ LYS B 15 14.512 -24.682 7.535 1.00 48.41 N +ATOM 126 N LEU B 16 13.903 -17.885 10.659 1.00 17.80 N +ATOM 127 CA LEU B 16 13.634 -16.486 10.955 1.00 18.75 C +ATOM 128 C LEU B 16 14.821 -15.720 11.499 1.00 13.28 C +ATOM 129 O LEU B 16 14.874 -14.506 11.317 1.00 24.92 O +ATOM 130 CB LEU B 16 12.524 -16.289 12.031 1.00 26.94 C +ATOM 131 CG LEU B 16 11.133 -16.377 11.483 1.00 31.63 C +ATOM 132 CD1 LEU B 16 10.433 -17.447 12.283 1.00 34.89 C +ATOM 133 CD2 LEU B 16 10.451 -15.022 11.652 1.00 48.21 C +ATOM 134 N GLN B 17 15.559 -16.312 12.437 1.00 26.83 N +ATOM 135 CA GLN B 17 16.740 -15.669 13.051 1.00 31.07 C +ATOM 136 C GLN B 17 17.838 -15.341 12.034 1.00 28.25 C +ATOM 137 O GLN B 17 18.525 -14.310 12.106 1.00 34.66 O +ATOM 138 CB GLN B 17 17.333 -16.618 14.065 1.00 28.29 C +ATOM 139 CG GLN B 17 16.343 -16.816 15.210 1.00 37.41 C +ATOM 140 CD GLN B 17 16.825 -17.781 16.269 1.00 38.58 C +ATOM 141 OE1 GLN B 17 16.154 -17.963 17.297 1.00 45.05 O +ATOM 142 NE2 GLN B 17 17.961 -18.397 16.003 1.00 36.92 N +ATOM 143 N ALA B 18 17.993 -16.258 11.073 1.00 28.82 N +ATOM 144 CA ALA B 18 18.887 -16.079 9.958 1.00 24.76 C +ATOM 145 C ALA B 18 18.408 -14.943 9.127 1.00 25.60 C +ATOM 146 O ALA B 18 19.198 -14.153 8.649 1.00 29.79 O +ATOM 147 CB ALA B 18 18.896 -17.310 9.073 1.00 31.70 C +ATOM 148 N LEU B 19 17.103 -14.882 8.954 1.00 20.86 N +ATOM 149 CA LEU B 19 16.500 -13.807 8.196 1.00 20.69 C +ATOM 150 C LEU B 19 16.624 -12.541 8.991 1.00 15.47 C +ATOM 151 O LEU B 19 16.978 -11.498 8.534 1.00 28.40 O +ATOM 152 CB LEU B 19 15.034 -14.146 7.802 1.00 24.04 C +ATOM 153 CG LEU B 19 14.433 -13.498 6.559 1.00 30.39 C +ATOM 154 CD1 LEU B 19 14.238 -11.989 6.686 1.00 26.99 C +ATOM 155 CD2 LEU B 19 15.346 -13.798 5.386 1.00 36.84 C +ATOM 156 N GLU B 20 16.463 -12.592 10.261 1.00 21.16 N +ATOM 157 CA GLU B 20 16.569 -11.353 11.023 1.00 28.30 C +ATOM 158 C GLU B 20 18.015 -10.847 11.131 1.00 28.17 C +ATOM 159 O GLU B 20 18.278 -9.652 11.221 1.00 27.48 O +ATOM 160 CB GLU B 20 15.912 -11.554 12.387 1.00 25.25 C +ATOM 161 CG GLU B 20 16.421 -10.615 13.446 1.00 21.81 C +ATOM 162 CD GLU B 20 15.963 -11.092 14.780 1.00 31.72 C +ATOM 163 OE1 GLU B 20 15.718 -12.262 15.085 1.00 31.25 O +ATOM 164 OE2 GLU B 20 15.855 -10.069 15.550 1.00 31.01 O +ATOM 165 N LYS B 21 18.969 -11.740 10.953 1.00 21.90 N +ATOM 166 CA LYS B 21 20.374 -11.321 10.926 1.00 27.52 C +ATOM 167 C LYS B 21 20.763 -10.527 9.664 1.00 20.66 C +ATOM 168 O LYS B 21 21.394 -9.426 9.730 1.00 16.60 O +ATOM 169 CB LYS B 21 21.209 -12.556 11.084 1.00 21.31 C +ATOM 170 CG LYS B 21 21.296 -12.941 12.524 1.00 20.50 C +ATOM 171 CD LYS B 21 22.495 -13.812 12.692 1.00 26.69 C +ATOM 172 CE LYS B 21 22.116 -15.190 13.063 1.00 30.76 C +ATOM 173 NZ LYS B 21 21.498 -15.109 14.383 1.00 34.93 N +ATOM 174 N LYS B 22 20.253 -11.058 8.537 1.00 23.78 N +ATOM 175 CA LYS B 22 20.305 -10.448 7.203 1.00 24.10 C +ATOM 176 C LYS B 22 19.744 -9.033 7.246 1.00 24.85 C +ATOM 177 O LYS B 22 20.367 -8.071 6.871 1.00 30.59 O +ATOM 178 CB LYS B 22 19.441 -11.238 6.237 1.00 34.68 C +ATOM 179 CG LYS B 22 20.161 -11.803 5.015 1.00 35.80 C +ATOM 180 CD LYS B 22 21.329 -12.689 5.383 1.00 43.05 C +ATOM 181 CE LYS B 22 21.857 -13.509 4.212 1.00 41.41 C +ATOM 182 NZ LYS B 22 23.320 -13.656 4.258 1.00 48.00 N +ATOM 183 N LEU B 23 18.521 -8.891 7.687 1.00 22.91 N +ATOM 184 CA LEU B 23 17.904 -7.588 7.839 1.00 19.08 C +ATOM 185 C LEU B 23 18.660 -6.630 8.756 1.00 25.94 C +ATOM 186 O LEU B 23 18.665 -5.451 8.440 1.00 29.73 O +ATOM 187 CB LEU B 23 16.406 -7.681 8.274 1.00 25.51 C +ATOM 188 CG LEU B 23 15.439 -8.364 7.288 1.00 33.51 C +ATOM 189 CD1 LEU B 23 14.005 -8.389 7.861 1.00 27.13 C +ATOM 190 CD2 LEU B 23 15.479 -7.659 5.938 1.00 26.24 C +ATOM 191 N GLU B 24 19.131 -7.068 9.955 1.00 22.48 N +ATOM 192 CA GLU B 24 19.852 -6.184 10.876 1.00 19.71 C +ATOM 193 C GLU B 24 21.104 -5.708 10.233 1.00 28.51 C +ATOM 194 O GLU B 24 21.395 -4.528 10.321 1.00 25.28 O +ATOM 195 CB GLU B 24 20.304 -6.855 12.180 1.00 29.27 C +ATOM 196 CG GLU B 24 19.360 -6.760 13.393 1.00 39.25 C +ATOM 197 CD GLU B 24 19.287 -5.375 13.934 1.00 44.76 C +ATOM 198 OE1 GLU B 24 20.271 -4.747 14.231 1.00 44.98 O +ATOM 199 OE2 GLU B 24 18.071 -4.900 13.975 1.00 47.65 O +ATOM 200 N ALA B 25 21.792 -6.672 9.564 1.00 34.34 N +ATOM 201 CA ALA B 25 22.981 -6.450 8.707 1.00 36.41 C +ATOM 202 C ALA B 25 22.842 -5.368 7.602 1.00 43.35 C +ATOM 203 O ALA B 25 23.615 -4.414 7.575 1.00 33.46 O +ATOM 204 CB ALA B 25 23.472 -7.758 8.131 1.00 31.45 C +ATOM 205 N LEU B 26 21.854 -5.460 6.682 1.00 34.67 N +ATOM 206 CA LEU B 26 21.671 -4.390 5.709 1.00 29.56 C +ATOM 207 C LEU B 26 21.278 -3.130 6.451 1.00 34.95 C +ATOM 208 O LEU B 26 21.918 -2.106 6.371 1.00 44.51 O +ATOM 209 CB LEU B 26 20.634 -4.682 4.622 1.00 28.17 C +ATOM 210 CG LEU B 26 20.571 -6.141 4.190 1.00 28.74 C +ATOM 211 CD1 LEU B 26 19.319 -6.377 3.336 1.00 36.06 C +ATOM 212 CD2 LEU B 26 21.758 -6.478 3.335 1.00 20.71 C +ATOM 213 N GLU B 27 20.357 -3.280 7.369 1.00 51.41 N +ATOM 214 CA GLU B 27 19.840 -2.173 8.148 1.00 45.22 C +ATOM 215 C GLU B 27 20.866 -1.501 9.076 1.00 53.13 C +ATOM 216 O GLU B 27 20.804 -0.295 9.334 1.00 48.91 O +ATOM 217 CB GLU B 27 18.622 -2.698 8.925 1.00 57.63 C +ATOM 218 CG GLU B 27 17.395 -1.800 8.936 1.00 39.42 C +ATOM 219 CD GLU B 27 17.529 -0.866 10.071 1.00 58.76 C +ATOM 220 OE1 GLU B 27 18.506 -1.247 10.860 1.00 77.00 O +ATOM 221 OE2 GLU B 27 16.940 0.192 10.152 1.00 59.89 O +ATOM 222 N HIS B 28 21.853 -2.253 9.544 1.00 77.09 N +ATOM 223 CA HIS B 28 22.749 -1.707 10.561 1.00 82.00 C +ATOM 224 C HIS B 28 24.255 -1.785 10.379 1.00 82.74 C +ATOM 225 O HIS B 28 24.941 -1.302 11.271 1.00 56.97 O +ATOM 226 CB HIS B 28 22.429 -2.235 11.971 1.00 44.31 C +ATOM 227 CG HIS B 28 21.414 -1.423 12.660 1.00 46.70 C +ATOM 228 ND1 HIS B 28 20.219 -1.978 13.122 1.00 50.40 N +ATOM 229 CD2 HIS B 28 21.468 -0.101 13.021 1.00 38.08 C +ATOM 230 CE1 HIS B 28 19.590 -0.984 13.763 1.00 57.80 C +ATOM 231 NE2 HIS B 28 20.303 0.155 13.721 1.00 51.58 N +ATOM 232 N GLY B 29 24.788 -2.535 9.416 1.00 35.33 N +ATOM 233 CA GLY B 29 26.228 -2.520 9.286 1.00 41.28 C +ATOM 234 C GLY B 29 26.850 -3.674 8.553 1.00 41.57 C +ATOM 235 O GLY B 29 27.920 -4.058 9.049 1.00 65.26 O +HETATM 236 N NH2 B 30 26.288 -4.157 7.436 1.00 55.78 N +HETATM 237 O HOH A 301 -3.583 -26.669 30.513 1.00 35.09 O +HETATM 238 O HOH A 302 -1.094 -19.448 18.530 1.00 42.71 O +HETATM 239 O HOH A 304 6.628 -6.070 1.461 1.00 34.79 O +HETATM 240 O HOH A 305 11.589 -5.099 13.583 1.00 38.93 O +HETATM 241 O HOH A 314 17.587 0.956 0.899 1.00 42.20 O +HETATM 242 O HOH A 315 10.007 3.680 8.759 1.00 43.00 O +HETATM 243 O HOH A 318 3.798 -32.613 30.939 1.00 36.25 O +HETATM 244 O HOH A 319 2.570 -6.529 12.313 1.00 31.00 O +HETATM 245 O HOH A 321 4.528 -6.043 13.864 1.00 38.40 O +HETATM 246 O HOH A 328 16.997 7.447 0.389 1.00 47.16 O +HETATM 247 O HOH A 329 11.856 3.907 5.639 1.00 52.19 O +HETATM 248 O HOH B 303 10.345 -34.698 13.457 1.00 58.92 O +HETATM 249 O HOH B 306 9.106 -35.951 15.743 1.00 62.30 O +HETATM 250 O HOH B 307 11.766 -25.939 8.306 1.00 60.52 O +HETATM 251 O HOH B 308 3.835 -35.225 12.256 1.00 39.01 O +HETATM 252 O HOH B 309 17.336 -25.796 14.170 1.00 52.23 O +HETATM 253 O HOH B 310 16.852 -20.630 16.368 1.00 45.05 O +HETATM 254 O HOH B 312 22.108 -14.931 8.371 1.00 25.64 O +HETATM 255 O HOH B 313 24.840 -17.283 16.641 1.00 44.23 O +HETATM 256 O HOH B 320 13.382 -30.905 19.866 1.00 47.18 O +HETATM 257 O HOH B 323 19.393 -3.151 15.632 1.00 47.48 O +HETATM 258 O HOH B 324 21.424 2.284 15.430 1.00 54.25 O +HETATM 259 O HOH B 327 21.766 -16.852 3.910 1.00 47.72 O +HETATM 260 O HOH C 311 10.610 -26.522 2.381 1.00 49.31 O +HETATM 261 O HOH C 316 -6.210 -28.144 10.157 1.00 50.34 O +HETATM 262 O HOH C 317 -1.174 -27.935 7.451 1.00 42.64 O +HETATM 263 O HOH C 322 16.843 -19.635 4.817 1.00 58.38 O +HETATM 264 O HOH C 325 15.638 -15.286 -4.544 1.00 37.08 O +HETATM 265 O HOH C 326 15.320 -12.313 -6.558 1.00 39.48 O +HETATM 266 O HOH C 330 -10.967 -26.696 22.061 1.00 55.19 O +HETATM 267 O HOH C 331 15.168 -15.385 -1.954 1.00 42.87 O +HETATM 268 O HOH C 332 6.886 -18.636 -2.175 1.00 49.05 O +HETATM 269 O HOH C 333 -12.249 -22.725 17.752 1.00 32.86 O +CONECT 1 2 3 4 +CONECT 4 5 +CONECT 5 6 8 +CONECT 6 7 7 13 +CONECT 8 9 +CONECT 9 10 +CONECT 10 11 11 12 +CONECT 13 14 +CONECT 14 15 17 +CONECT 15 16 16 27 +CONECT 17 18 +CONECT 18 19 19 20 +CONECT 19 21 +CONECT 20 22 22 23 +CONECT 21 22 +CONECT 22 24 +CONECT 23 25 25 +CONECT 24 26 26 +CONECT 25 26 +CONECT 27 28 +CONECT 28 29 31 +CONECT 29 30 30 36 +CONECT 31 32 +CONECT 32 33 +CONECT 33 34 34 35 +CONECT 36 37 +CONECT 37 38 40 +CONECT 38 39 39 41 +CONECT 41 42 +CONECT 42 43 45 +CONECT 43 44 44 49 +CONECT 45 46 +CONECT 46 47 48 +CONECT 49 50 +CONECT 50 51 53 +CONECT 51 52 52 58 +CONECT 53 54 +CONECT 54 55 +CONECT 55 56 56 57 +CONECT 58 59 +CONECT 59 60 62 +CONECT 60 61 61 67 +CONECT 62 63 +CONECT 63 64 +CONECT 64 65 +CONECT 65 66 +CONECT 67 68 +CONECT 68 69 71 +CONECT 69 70 70 76 +CONECT 71 72 +CONECT 72 73 +CONECT 73 74 +CONECT 74 75 +CONECT 76 77 +CONECT 77 78 80 +CONECT 78 79 79 84 +CONECT 80 81 +CONECT 81 82 83 +CONECT 84 85 +CONECT 85 86 88 +CONECT 86 87 87 89 +CONECT 89 90 +CONECT 90 91 93 +CONECT 91 92 92 94 +CONECT 94 95 +CONECT 95 96 98 +CONECT 96 97 97 102 +CONECT 98 99 +CONECT 99 100 101 +CONECT 102 103 +CONECT 103 104 106 +CONECT 104 105 105 111 +CONECT 106 107 +CONECT 107 108 +CONECT 108 109 109 110 +CONECT 111 112 +CONECT 112 113 115 +CONECT 113 114 114 117 +CONECT 115 116 +CONECT 117 118 +CONECT 118 119 121 +CONECT 119 120 120 126 +CONECT 121 122 +CONECT 122 123 +CONECT 123 124 +CONECT 124 125 +CONECT 126 127 +CONECT 127 128 130 +CONECT 128 129 129 134 +CONECT 130 131 +CONECT 131 132 133 +CONECT 134 135 +CONECT 135 136 138 +CONECT 136 137 137 143 +CONECT 138 139 +CONECT 139 140 +CONECT 140 141 141 142 +CONECT 143 144 +CONECT 144 145 147 +CONECT 145 146 146 148 +CONECT 148 149 +CONECT 149 150 152 +CONECT 150 151 151 156 +CONECT 152 153 +CONECT 153 154 155 +CONECT 156 157 +CONECT 157 158 160 +CONECT 158 159 159 165 +CONECT 160 161 +CONECT 161 162 +CONECT 162 163 163 164 +CONECT 165 166 +CONECT 166 167 169 +CONECT 167 168 168 174 +CONECT 169 170 +CONECT 170 171 +CONECT 171 172 +CONECT 172 173 +CONECT 174 175 +CONECT 175 176 178 +CONECT 176 177 177 183 +CONECT 178 179 +CONECT 179 180 +CONECT 180 181 +CONECT 181 182 +CONECT 183 184 +CONECT 184 185 187 +CONECT 185 186 186 191 +CONECT 187 188 +CONECT 188 189 190 +CONECT 191 192 +CONECT 192 193 195 +CONECT 193 194 194 200 +CONECT 195 196 +CONECT 196 197 +CONECT 197 198 198 199 +CONECT 200 201 +CONECT 201 202 204 +CONECT 202 203 203 205 +CONECT 205 206 +CONECT 206 207 209 +CONECT 207 208 208 213 +CONECT 209 210 +CONECT 210 211 212 +CONECT 213 214 +CONECT 214 215 217 +CONECT 215 216 216 222 +CONECT 217 218 +CONECT 218 219 +CONECT 219 220 220 221 +CONECT 222 223 +CONECT 223 224 226 +CONECT 224 225 225 232 +CONECT 226 227 +CONECT 227 228 229 229 +CONECT 228 230 230 +CONECT 229 231 +CONECT 230 231 +CONECT 232 233 +CONECT 233 234 +CONECT 234 235 235 236 +END