laila/./0000775000076600007660000000000012307606044011651 5ustar galaxygalaxylaila/./complex-laila-7.pdb0000664000076600007660000024746612307606044015256 0ustar galaxygalaxyATOM 1 N MET A 1 -7.666 -12.503 -7.596 1.00 0.00 ATOM 2 CA MET A 1 -6.845 -11.294 -7.883 1.00 0.00 ATOM 3 C MET A 1 -6.358 -10.631 -6.595 1.00 0.00 ATOM 4 O MET A 1 -7.159 -10.238 -5.736 1.00 0.00 ATOM 5 CB MET A 1 -7.666 -10.277 -8.686 1.00 0.00 ATOM 6 CG MET A 1 -6.868 -9.138 -9.382 1.00 0.00 ATOM 7 SD MET A 1 -6.016 -7.851 -8.372 1.00 0.00 ATOM 8 CE MET A 1 -7.337 -7.058 -7.519 1.00 0.00 ATOM 9 N VAL A 2 -5.039 -10.569 -6.443 1.00 0.00 ATOM 10 CA VAL A 2 -4.432 -9.905 -5.306 1.00 0.00 ATOM 11 C VAL A 2 -3.626 -8.757 -5.882 1.00 0.00 ATOM 12 O VAL A 2 -2.848 -8.935 -6.820 1.00 0.00 ATOM 13 CB VAL A 2 -3.518 -10.833 -4.505 1.00 0.00 ATOM 14 CG1 VAL A 2 -2.790 -10.057 -3.441 1.00 0.00 ATOM 15 CG2 VAL A 2 -4.333 -11.907 -3.852 1.00 0.00 ATOM 16 N GLY A 3 -3.883 -7.561 -5.370 1.00 0.00 ATOM 17 CA GLY A 3 -3.157 -6.395 -5.826 1.00 0.00 ATOM 18 C GLY A 3 -2.468 -5.721 -4.668 1.00 0.00 ATOM 19 O GLY A 3 -2.866 -5.888 -3.520 1.00 0.00 ATOM 20 N LEU A 4 -1.386 -5.019 -4.962 1.00 0.00 ATOM 21 CA LEU A 4 -0.663 -4.285 -3.945 1.00 0.00 ATOM 22 C LEU A 4 -0.829 -2.807 -4.262 1.00 0.00 ATOM 23 O LEU A 4 -0.918 -2.440 -5.420 1.00 0.00 ATOM 24 CB LEU A 4 0.828 -4.629 -3.989 1.00 0.00 ATOM 25 CG LEU A 4 1.392 -5.804 -3.185 1.00 0.00 ATOM 26 CD1 LEU A 4 0.551 -7.043 -3.328 1.00 0.00 ATOM 27 CD2 LEU A 4 2.836 -6.059 -3.615 1.00 0.00 ATOM 28 N ILE A 5 -0.940 -1.967 -3.239 1.00 0.00 ATOM 29 CA ILE A 5 -1.043 -0.531 -3.464 1.00 0.00 ATOM 30 C ILE A 5 -0.207 0.196 -2.419 1.00 0.00 ATOM 31 O ILE A 5 -0.243 -0.143 -1.235 1.00 0.00 ATOM 32 CB ILE A 5 -2.525 -0.020 -3.488 1.00 0.00 ATOM 33 CG1 ILE A 5 -2.556 1.504 -3.678 1.00 0.00 ATOM 34 CG2 ILE A 5 -3.269 -0.410 -2.227 1.00 0.00 ATOM 35 CD1 ILE A 5 -3.933 2.054 -4.027 1.00 0.00 ATOM 36 N TRP A 6 0.628 1.123 -2.878 1.00 0.00 ATOM 37 CA TRP A 6 1.479 1.898 -1.989 1.00 0.00 ATOM 38 C TRP A 6 1.942 3.188 -2.655 1.00 0.00 ATOM 39 O TRP A 6 1.821 3.357 -3.868 1.00 0.00 ATOM 40 CB TRP A 6 2.719 1.088 -1.567 1.00 0.00 ATOM 41 CG TRP A 6 3.782 0.892 -2.652 1.00 0.00 ATOM 42 CD1 TRP A 6 4.800 1.754 -2.976 1.00 0.00 ATOM 43 CD2 TRP A 6 3.934 -0.246 -3.514 1.00 0.00 ATOM 44 NE1 TRP A 6 5.574 1.221 -3.979 1.00 0.00 ATOM 45 CE2 TRP A 6 5.065 -0.003 -4.329 1.00 0.00 ATOM 46 CE3 TRP A 6 3.229 -1.450 -3.669 1.00 0.00 ATOM 47 CZ2 TRP A 6 5.507 -0.919 -5.289 1.00 0.00 ATOM 48 CZ3 TRP A 6 3.669 -2.359 -4.621 1.00 0.00 ATOM 49 CH2 TRP A 6 4.799 -2.085 -5.419 1.00 0.00 ATOM 50 N ALA A 7 2.491 4.078 -1.838 1.00 0.00 ATOM 51 CA ALA A 7 3.047 5.354 -2.271 1.00 0.00 ATOM 52 C ALA A 7 4.509 5.327 -1.791 1.00 0.00 ATOM 53 O ALA A 7 4.778 5.052 -0.622 1.00 0.00 ATOM 54 CB ALA A 7 2.288 6.522 -1.613 1.00 0.00 ATOM 55 N GLN A 8 5.450 5.583 -2.693 1.00 0.00 ATOM 56 CA GLN A 8 6.860 5.559 -2.331 1.00 0.00 ATOM 57 C GLN A 8 7.632 6.758 -2.847 1.00 0.00 ATOM 58 O GLN A 8 7.283 7.331 -3.880 1.00 0.00 ATOM 59 CB GLN A 8 7.539 4.324 -2.923 1.00 0.00 ATOM 60 CG GLN A 8 7.620 4.364 -4.434 1.00 0.00 ATOM 61 CD GLN A 8 8.529 3.308 -5.000 1.00 0.00 ATOM 62 OE1 GLN A 8 8.129 2.168 -5.184 1.00 0.00 ATOM 63 NE2 GLN A 8 9.765 3.686 -5.296 1.00 0.00 ATOM 64 N ALA A 9 8.690 7.104 -2.113 1.00 0.00 ATOM 65 CA ALA A 9 9.607 8.159 -2.516 1.00 0.00 ATOM 66 C ALA A 9 10.380 7.485 -3.638 1.00 0.00 ATOM 67 O ALA A 9 10.480 6.260 -3.675 1.00 0.00 ATOM 68 CB ALA A 9 10.570 8.523 -1.364 1.00 0.00 ATOM 69 N THR A 10 10.903 8.265 -4.567 1.00 0.00 ATOM 70 CA THR A 10 11.675 7.712 -5.673 1.00 0.00 ATOM 71 C THR A 10 12.703 6.688 -5.168 1.00 0.00 ATOM 72 O THR A 10 12.987 5.686 -5.827 1.00 0.00 ATOM 73 CB THR A 10 12.396 8.862 -6.391 1.00 0.00 ATOM 74 OG1 THR A 10 11.411 9.718 -6.985 1.00 0.00 ATOM 75 CG2 THR A 10 13.361 8.343 -7.452 1.00 0.00 ATOM 76 N SER A 11 13.194 6.925 -3.959 1.00 0.00 ATOM 77 CA SER A 11 14.191 6.086 -3.312 1.00 0.00 ATOM 78 C SER A 11 13.677 4.725 -2.888 1.00 0.00 ATOM 79 O SER A 11 14.466 3.825 -2.601 1.00 0.00 ATOM 80 CB SER A 11 14.721 6.799 -2.079 1.00 0.00 ATOM 81 OG SER A 11 13.709 6.913 -1.093 1.00 0.00 ATOM 82 N GLY A 12 12.356 4.597 -2.784 1.00 0.00 ATOM 83 CA GLY A 12 11.761 3.333 -2.379 1.00 0.00 ATOM 84 C GLY A 12 11.257 3.333 -0.950 1.00 0.00 ATOM 85 O GLY A 12 10.607 2.380 -0.523 1.00 0.00 ATOM 86 N VAL A 13 11.535 4.408 -0.212 1.00 0.00 ATOM 87 CA VAL A 13 11.091 4.521 1.173 1.00 0.00 ATOM 88 C VAL A 13 9.592 4.738 1.196 1.00 0.00 ATOM 89 O VAL A 13 9.078 5.560 0.445 1.00 0.00 ATOM 90 CB VAL A 13 11.782 5.711 1.900 1.00 0.00 ATOM 91 CG1 VAL A 13 11.249 5.869 3.333 1.00 0.00 ATOM 92 CG2 VAL A 13 13.287 5.502 1.916 1.00 0.00 ATOM 93 N ILE A 14 8.888 3.952 2.005 1.00 0.00 ATOM 94 CA ILE A 14 7.449 4.104 2.127 1.00 0.00 ATOM 95 C ILE A 14 7.083 4.445 3.562 1.00 0.00 ATOM 96 O ILE A 14 6.001 4.960 3.822 1.00 0.00 ATOM 97 CB ILE A 14 6.648 2.833 1.700 1.00 0.00 ATOM 98 CG1 ILE A 14 6.988 1.644 2.596 1.00 0.00 ATOM 99 CG2 ILE A 14 6.872 2.524 0.242 1.00 0.00 ATOM 100 CD1 ILE A 14 6.010 0.468 2.490 1.00 0.00 ATOM 101 N GLY A 15 7.994 4.191 4.498 1.00 0.00 ATOM 102 CA GLY A 15 7.699 4.471 5.895 1.00 0.00 ATOM 103 C GLY A 15 8.940 4.712 6.725 1.00 0.00 ATOM 104 O GLY A 15 10.000 4.147 6.452 1.00 0.00 ATOM 105 N ARG A 16 8.804 5.566 7.734 1.00 0.00 ATOM 106 CA ARG A 16 9.905 5.906 8.632 1.00 0.00 ATOM 107 C ARG A 16 9.331 6.375 9.963 1.00 0.00 ATOM 108 O ARG A 16 8.442 7.217 9.985 1.00 0.00 ATOM 109 CB ARG A 16 10.781 7.004 8.026 1.00 0.00 ATOM 110 CG ARG A 16 11.960 7.387 8.905 1.00 0.00 ATOM 111 CD ARG A 16 12.892 8.330 8.189 1.00 0.00 ATOM 112 NE ARG A 16 13.458 7.722 6.993 1.00 0.00 ATOM 113 CZ ARG A 16 14.131 8.394 6.067 1.00 0.00 ATOM 114 NH1 ARG A 16 14.310 9.691 6.204 1.00 0.00 ATOM 115 NH2 ARG A 16 14.642 7.775 5.009 1.00 0.00 ATOM 116 N GLY A 17 9.825 5.814 11.068 1.00 0.00 ATOM 117 CA GLY A 17 9.339 6.191 12.390 1.00 0.00 ATOM 118 C GLY A 17 7.873 5.849 12.592 1.00 0.00 ATOM 119 O GLY A 17 7.176 6.454 13.409 1.00 0.00 ATOM 120 N GLY A 18 7.400 4.869 11.835 1.00 0.00 ATOM 121 CA GLY A 18 6.015 4.474 11.934 1.00 0.00 ATOM 122 C GLY A 18 5.066 5.376 11.166 1.00 0.00 ATOM 123 O GLY A 18 3.859 5.183 11.252 1.00 0.00 ATOM 124 N ASP A 19 5.588 6.326 10.392 1.00 0.00 ATOM 125 CA ASP A 19 4.741 7.244 9.620 1.00 0.00 ATOM 126 C ASP A 19 5.092 7.223 8.138 1.00 0.00 ATOM 127 O ASP A 19 6.038 6.562 7.726 1.00 0.00 ATOM 128 CB ASP A 19 4.943 8.700 10.087 1.00 0.00 ATOM 129 CG ASP A 19 4.688 8.901 11.574 1.00 0.00 ATOM 130 OD1 ASP A 19 5.505 9.604 12.222 1.00 0.00 ATOM 131 OD2 ASP A 19 3.676 8.375 12.088 1.00 0.00 ATOM 132 N ILE A 20 4.278 7.904 7.338 1.00 0.00 ATOM 133 CA ILE A 20 4.557 8.060 5.921 1.00 0.00 ATOM 134 C ILE A 20 5.328 9.381 5.998 1.00 0.00 ATOM 135 O ILE A 20 4.806 10.369 6.504 1.00 0.00 ATOM 136 CB ILE A 20 3.279 8.207 5.094 1.00 0.00 ATOM 137 CG1 ILE A 20 2.551 6.858 5.032 1.00 0.00 ATOM 138 CG2 ILE A 20 3.613 8.681 3.705 1.00 0.00 ATOM 139 CD1 ILE A 20 1.351 6.819 4.092 1.00 0.00 ATOM 140 N PRO A 21 6.577 9.414 5.506 1.00 0.00 ATOM 141 CA PRO A 21 7.424 10.608 5.542 1.00 0.00 ATOM 142 C PRO A 21 7.161 11.744 4.554 1.00 0.00 ATOM 143 O PRO A 21 8.101 12.386 4.085 1.00 0.00 ATOM 144 CB PRO A 21 8.841 10.039 5.361 1.00 0.00 ATOM 145 CG PRO A 21 8.653 8.531 5.121 1.00 0.00 ATOM 146 CD PRO A 21 7.228 8.354 4.725 1.00 0.00 ATOM 147 N TRP A 22 5.899 11.999 4.242 1.00 0.00 ATOM 148 CA TRP A 22 5.542 13.081 3.325 1.00 0.00 ATOM 149 C TRP A 22 4.056 13.356 3.383 1.00 0.00 ATOM 150 O TRP A 22 3.289 12.556 3.909 1.00 0.00 ATOM 151 CB TRP A 22 5.946 12.765 1.874 1.00 0.00 ATOM 152 CG TRP A 22 5.300 11.539 1.284 1.00 0.00 ATOM 153 CD1 TRP A 22 4.031 11.431 0.797 1.00 0.00 ATOM 154 CD2 TRP A 22 5.895 10.246 1.137 1.00 0.00 ATOM 155 NE1 TRP A 22 3.796 10.146 0.361 1.00 0.00 ATOM 156 CE2 TRP A 22 4.923 9.399 0.560 1.00 0.00 ATOM 157 CE3 TRP A 22 7.158 9.716 1.445 1.00 0.00 ATOM 158 CZ2 TRP A 22 5.171 8.056 0.285 1.00 0.00 ATOM 159 CZ3 TRP A 22 7.400 8.369 1.168 1.00 0.00 ATOM 160 CH2 TRP A 22 6.409 7.561 0.597 1.00 0.00 ATOM 161 N ARG A 23 3.665 14.501 2.840 1.00 0.00 ATOM 162 CA ARG A 23 2.262 14.893 2.793 1.00 0.00 ATOM 163 C ARG A 23 1.862 14.994 1.332 1.00 0.00 ATOM 164 O ARG A 23 2.514 15.679 0.538 1.00 0.00 ATOM 165 CB ARG A 23 1.993 16.228 3.514 1.00 0.00 ATOM 166 CG ARG A 23 3.174 16.877 4.228 1.00 0.00 ATOM 167 CD ARG A 23 4.185 17.444 3.223 1.00 0.00 ATOM 168 NE ARG A 23 5.295 16.523 2.965 1.00 0.00 ATOM 169 CZ ARG A 23 6.397 16.843 2.292 1.00 0.00 ATOM 170 NH1 ARG A 23 6.545 18.062 1.783 1.00 0.00 ATOM 171 NH2 ARG A 23 7.392 15.970 2.192 1.00 0.00 ATOM 172 N LEU A 24 0.805 14.271 0.985 1.00 0.00 ATOM 173 CA LEU A 24 0.281 14.219 -0.371 1.00 0.00 ATOM 174 C LEU A 24 -1.200 13.995 -0.195 1.00 0.00 ATOM 175 O LEU A 24 -1.671 12.863 -0.223 1.00 0.00 ATOM 176 CB LEU A 24 0.902 13.035 -1.135 1.00 0.00 ATOM 177 CG LEU A 24 0.633 12.905 -2.635 1.00 0.00 ATOM 178 CD1 LEU A 24 1.054 14.154 -3.341 1.00 0.00 ATOM 179 CD2 LEU A 24 1.411 11.758 -3.197 1.00 0.00 ATOM 180 N PRO A 25 -1.959 15.078 0.009 1.00 0.00 ATOM 181 CA PRO A 25 -3.407 15.018 0.204 1.00 0.00 ATOM 182 C PRO A 25 -4.194 14.334 -0.910 1.00 0.00 ATOM 183 O PRO A 25 -5.222 13.722 -0.635 1.00 0.00 ATOM 184 CB PRO A 25 -3.788 16.486 0.385 1.00 0.00 ATOM 185 CG PRO A 25 -2.724 17.222 -0.371 1.00 0.00 ATOM 186 CD PRO A 25 -1.488 16.473 0.021 1.00 0.00 ATOM 187 N GLU A 26 -3.696 14.383 -2.144 1.00 0.00 ATOM 188 CA GLU A 26 -4.383 13.750 -3.274 1.00 0.00 ATOM 189 C GLU A 26 -4.278 12.226 -3.254 1.00 0.00 ATOM 190 O GLU A 26 -4.952 11.535 -4.023 1.00 0.00 ATOM 191 CB GLU A 26 -3.813 14.248 -4.603 1.00 0.00 ATOM 192 CG GLU A 26 -3.989 15.732 -4.844 1.00 0.00 ATOM 193 CD GLU A 26 -2.898 16.573 -4.223 1.00 0.00 ATOM 194 OE1 GLU A 26 -2.070 16.028 -3.462 1.00 0.00 ATOM 195 OE2 GLU A 26 -2.867 17.793 -4.509 1.00 0.00 ATOM 196 N ASP A 27 -3.400 11.714 -2.400 1.00 0.00 ATOM 197 CA ASP A 27 -3.174 10.279 -2.296 1.00 0.00 ATOM 198 C ASP A 27 -4.391 9.570 -1.732 1.00 0.00 ATOM 199 O ASP A 27 -4.848 8.566 -2.276 1.00 0.00 ATOM 200 CB ASP A 27 -1.938 10.018 -1.423 1.00 0.00 ATOM 201 CG ASP A 27 -1.631 8.537 -1.236 1.00 0.00 ATOM 202 OD1 ASP A 27 -1.279 7.852 -2.212 1.00 0.00 ATOM 203 OD2 ASP A 27 -1.709 8.063 -0.089 1.00 0.00 ATOM 204 N GLN A 28 -4.946 10.149 -0.678 1.00 0.00 ATOM 205 CA GLN A 28 -6.104 9.590 0.013 1.00 0.00 ATOM 206 C GLN A 28 -7.252 9.211 -0.914 1.00 0.00 ATOM 207 O GLN A 28 -7.851 8.144 -0.766 1.00 0.00 ATOM 208 CB GLN A 28 -6.584 10.582 1.074 1.00 0.00 ATOM 209 CG GLN A 28 -5.429 11.160 1.904 1.00 0.00 ATOM 210 CD GLN A 28 -5.753 12.517 2.536 1.00 0.00 ATOM 211 OE1 GLN A 28 -6.578 13.292 2.020 1.00 0.00 ATOM 212 NE2 GLN A 28 -5.081 12.822 3.649 1.00 0.00 ATOM 213 N ALA A 29 -7.536 10.082 -1.879 1.00 0.00 ATOM 214 CA ALA A 29 -8.618 9.872 -2.829 1.00 0.00 ATOM 215 C ALA A 29 -8.303 8.806 -3.862 1.00 0.00 ATOM 216 O ALA A 29 -9.203 8.103 -4.319 1.00 0.00 ATOM 217 CB ALA A 29 -8.972 11.177 -3.507 1.00 0.00 ATOM 218 N HIS A 30 -7.044 8.718 -4.285 1.00 0.00 ATOM 219 CA HIS A 30 -6.665 7.697 -5.257 1.00 0.00 ATOM 220 C HIS A 30 -6.693 6.320 -4.573 1.00 0.00 ATOM 221 O HIS A 30 -7.133 5.326 -5.146 1.00 0.00 ATOM 222 CB HIS A 30 -5.277 7.966 -5.839 1.00 0.00 ATOM 223 CG HIS A 30 -4.825 6.897 -6.785 1.00 0.00 ATOM 224 ND1 HIS A 30 -3.750 6.071 -6.519 1.00 0.00 ATOM 225 CD2 HIS A 30 -5.347 6.468 -7.957 1.00 0.00 ATOM 226 CE1 HIS A 30 -3.633 5.179 -7.487 1.00 0.00 ATOM 227 NE2 HIS A 30 -4.588 5.397 -8.372 1.00 0.00 ATOM 228 N PHE A 31 -6.206 6.277 -3.343 1.00 0.00 ATOM 229 CA PHE A 31 -6.192 5.053 -2.560 1.00 0.00 ATOM 230 C PHE A 31 -7.633 4.585 -2.367 1.00 0.00 ATOM 231 O PHE A 31 -7.949 3.413 -2.574 1.00 0.00 ATOM 232 CB PHE A 31 -5.520 5.331 -1.210 1.00 0.00 ATOM 233 CG PHE A 31 -5.630 4.207 -0.216 1.00 0.00 ATOM 234 CD1 PHE A 31 -4.886 3.042 -0.370 1.00 0.00 ATOM 235 CD2 PHE A 31 -6.469 4.325 0.885 1.00 0.00 ATOM 236 CE1 PHE A 31 -4.972 2.014 0.556 1.00 0.00 ATOM 237 CE2 PHE A 31 -6.560 3.303 1.821 1.00 0.00 ATOM 238 CZ PHE A 31 -5.805 2.139 1.653 1.00 0.00 ATOM 239 N ARG A 32 -8.509 5.519 -2.010 1.00 0.00 ATOM 240 CA ARG A 32 -9.917 5.229 -1.786 1.00 0.00 ATOM 241 C ARG A 32 -10.570 4.670 -3.044 1.00 0.00 ATOM 242 O ARG A 32 -11.207 3.620 -3.008 1.00 0.00 ATOM 243 CB ARG A 32 -10.645 6.504 -1.341 1.00 0.00 ATOM 244 CG ARG A 32 -12.093 6.299 -0.929 1.00 0.00 ATOM 245 CD ARG A 32 -12.817 7.625 -0.717 1.00 0.00 ATOM 246 NE ARG A 32 -14.239 7.447 -0.370 1.00 0.00 ATOM 247 CZ ARG A 32 -15.183 6.942 -1.175 1.00 0.00 ATOM 248 NH1 ARG A 32 -14.887 6.545 -2.408 1.00 0.00 ATOM 249 NH2 ARG A 32 -16.433 6.822 -0.737 1.00 0.00 ATOM 250 N GLU A 33 -10.348 5.350 -4.164 1.00 0.00 ATOM 251 CA GLU A 33 -10.913 4.971 -5.445 1.00 0.00 ATOM 252 C GLU A 33 -10.592 3.528 -5.824 1.00 0.00 ATOM 253 O GLU A 33 -11.457 2.794 -6.302 1.00 0.00 ATOM 254 CB GLU A 33 -10.398 5.930 -6.529 1.00 0.00 ATOM 255 CG GLU A 33 -11.332 6.143 -7.718 1.00 0.00 ATOM 256 CD GLU A 33 -11.653 4.853 -8.465 1.00 0.00 ATOM 257 OE1 GLU A 33 -10.734 4.296 -9.114 1.00 0.00 ATOM 258 OE2 GLU A 33 -12.818 4.384 -8.385 1.00 0.00 ATOM 259 N ILE A 34 -9.354 3.118 -5.582 1.00 0.00 ATOM 260 CA ILE A 34 -8.901 1.777 -5.929 1.00 0.00 ATOM 261 C ILE A 34 -9.386 0.692 -4.964 1.00 0.00 ATOM 262 O ILE A 34 -9.823 -0.386 -5.395 1.00 0.00 ATOM 263 CB ILE A 34 -7.343 1.748 -6.011 1.00 0.00 ATOM 264 CG1 ILE A 34 -6.848 2.478 -7.270 1.00 0.00 ATOM 265 CG2 ILE A 34 -6.813 0.328 -5.939 1.00 0.00 ATOM 266 CD1 ILE A 34 -7.175 1.780 -8.566 1.00 0.00 ATOM 267 N THR A 35 -9.341 0.996 -3.669 1.00 0.00 ATOM 268 CA THR A 35 -9.709 0.037 -2.634 1.00 0.00 ATOM 269 C THR A 35 -11.167 -0.058 -2.203 1.00 0.00 ATOM 270 O THR A 35 -11.588 -1.093 -1.691 1.00 0.00 ATOM 271 CB THR A 35 -8.831 0.239 -1.366 1.00 0.00 ATOM 272 OG1 THR A 35 -9.074 1.530 -0.780 1.00 0.00 ATOM 273 CG2 THR A 35 -7.357 0.114 -1.723 1.00 0.00 ATOM 274 N MET A 36 -11.944 0.997 -2.430 1.00 0.00 ATOM 275 CA MET A 36 -13.336 1.027 -1.993 1.00 0.00 ATOM 276 C MET A 36 -14.174 -0.193 -2.371 1.00 0.00 ATOM 277 O MET A 36 -14.125 -0.665 -3.497 1.00 0.00 ATOM 278 CB MET A 36 -14.010 2.316 -2.471 1.00 0.00 ATOM 279 CG MET A 36 -15.363 2.562 -1.818 1.00 0.00 ATOM 280 SD MET A 36 -15.317 2.566 -0.000 1.00 0.00 ATOM 281 CE MET A 36 -14.159 3.876 0.311 1.00 0.00 ATOM 282 N GLY A 37 -14.916 -0.721 -1.396 1.00 0.00 ATOM 283 CA GLY A 37 -15.761 -1.880 -1.632 1.00 0.00 ATOM 284 C GLY A 37 -15.056 -3.229 -1.665 1.00 0.00 ATOM 285 O GLY A 37 -15.703 -4.259 -1.875 1.00 0.00 ATOM 286 N HIS A 38 -13.744 -3.248 -1.455 1.00 0.00 ATOM 287 CA HIS A 38 -13.010 -4.505 -1.491 1.00 0.00 ATOM 288 C HIS A 38 -12.480 -4.894 -0.138 1.00 0.00 ATOM 289 O HIS A 38 -12.702 -4.211 0.850 1.00 0.00 ATOM 290 CB HIS A 38 -11.841 -4.432 -2.482 1.00 0.00 ATOM 291 CG HIS A 38 -12.260 -4.148 -3.890 1.00 0.00 ATOM 292 ND1 HIS A 38 -13.173 -4.932 -4.566 1.00 0.00 ATOM 293 CD2 HIS A 38 -11.940 -3.136 -4.728 1.00 0.00 ATOM 294 CE1 HIS A 38 -13.403 -4.409 -5.756 1.00 0.00 ATOM 295 NE2 HIS A 38 -12.668 -3.319 -5.879 1.00 0.00 ATOM 296 N THR A 39 -11.869 -6.067 -0.084 1.00 0.00 ATOM 297 CA THR A 39 -11.259 -6.529 1.142 1.00 0.00 ATOM 298 C THR A 39 -9.863 -5.925 1.094 1.00 0.00 ATOM 299 O THR A 39 -9.238 -5.868 0.027 1.00 0.00 ATOM 300 CB THR A 39 -11.154 -8.081 1.181 1.00 0.00 ATOM 301 OG1 THR A 39 -12.449 -8.637 1.411 1.00 0.00 ATOM 302 CG2 THR A 39 -10.218 -8.543 2.296 1.00 0.00 ATOM 303 N ILE A 40 -9.410 -5.393 2.225 1.00 0.00 ATOM 304 CA ILE A 40 -8.068 -4.826 2.301 1.00 0.00 ATOM 305 C ILE A 40 -7.246 -5.562 3.363 1.00 0.00 ATOM 306 O ILE A 40 -7.737 -5.844 4.452 1.00 0.00 ATOM 307 CB ILE A 40 -8.098 -3.308 2.591 1.00 0.00 ATOM 308 CG1 ILE A 40 -8.798 -3.031 3.911 1.00 0.00 ATOM 309 CG2 ILE A 40 -8.824 -2.573 1.463 1.00 0.00 ATOM 310 CD1 ILE A 40 -8.736 -1.604 4.296 1.00 0.00 ATOM 311 N VAL A 41 -6.025 -5.942 3.003 1.00 0.00 ATOM 312 CA VAL A 41 -5.128 -6.650 3.913 1.00 0.00 ATOM 313 C VAL A 41 -3.934 -5.778 4.331 1.00 0.00 ATOM 314 O VAL A 41 -3.319 -5.111 3.509 1.00 0.00 ATOM 315 CB VAL A 41 -4.654 -7.973 3.274 1.00 0.00 ATOM 316 CG1 VAL A 41 -3.593 -8.651 4.140 1.00 0.00 ATOM 317 CG2 VAL A 41 -5.835 -8.881 3.094 1.00 0.00 ATOM 318 N MET A 42 -3.626 -5.774 5.623 1.00 0.00 ATOM 319 CA MET A 42 -2.522 -4.979 6.127 1.00 0.00 ATOM 320 C MET A 42 -1.817 -5.675 7.293 1.00 0.00 ATOM 321 O MET A 42 -2.404 -6.524 7.968 1.00 0.00 ATOM 322 CB MET A 42 -3.051 -3.626 6.609 1.00 0.00 ATOM 323 CG MET A 42 -3.849 -3.719 7.916 1.00 0.00 ATOM 324 SD MET A 42 -4.709 -2.223 8.288 1.00 0.00 ATOM 325 CE MET A 42 -6.237 -2.544 7.404 1.00 0.00 ATOM 326 N GLY A 43 -0.551 -5.326 7.506 1.00 0.00 ATOM 327 CA GLY A 43 0.185 -5.871 8.631 1.00 0.00 ATOM 328 C GLY A 43 -0.224 -5.129 9.890 1.00 0.00 ATOM 329 O GLY A 43 -0.690 -3.997 9.826 1.00 0.00 ATOM 330 N ARG A 44 -0.031 -5.757 11.043 1.00 0.00 ATOM 331 CA ARG A 44 -0.402 -5.174 12.326 1.00 0.00 ATOM 332 C ARG A 44 0.132 -3.763 12.530 1.00 0.00 ATOM 333 O ARG A 44 -0.547 -2.894 13.077 1.00 0.00 ATOM 334 CB ARG A 44 0.074 -6.106 13.450 1.00 0.00 ATOM 335 CG ARG A 44 -0.524 -5.833 14.825 1.00 0.00 ATOM 336 CD ARG A 44 0.373 -4.957 15.655 1.00 0.00 ATOM 337 NE ARG A 44 1.670 -5.592 15.869 1.00 0.00 ATOM 338 CZ ARG A 44 2.760 -4.945 16.274 1.00 0.00 ATOM 339 NH1 ARG A 44 2.717 -3.642 16.513 1.00 0.00 ATOM 340 NH2 ARG A 44 3.899 -5.600 16.426 1.00 0.00 ATOM 341 N ARG A 45 1.361 -3.531 12.105 1.00 0.00 ATOM 342 CA ARG A 45 1.953 -2.214 12.262 1.00 0.00 ATOM 343 C ARG A 45 1.273 -1.156 11.412 1.00 0.00 ATOM 344 O ARG A 45 1.250 0.018 11.788 1.00 0.00 ATOM 345 CB ARG A 45 3.433 -2.250 11.946 1.00 0.00 ATOM 346 CG ARG A 45 4.264 -2.998 12.936 1.00 0.00 ATOM 347 CD ARG A 45 5.688 -2.749 12.567 1.00 0.00 ATOM 348 NE ARG A 45 6.623 -3.333 13.499 1.00 0.00 ATOM 349 CZ ARG A 45 7.877 -3.628 13.178 1.00 0.00 ATOM 350 NH1 ARG A 45 8.320 -3.384 11.948 1.00 0.00 ATOM 351 NH2 ARG A 45 8.685 -4.177 14.080 1.00 0.00 ATOM 352 N THR A 46 0.782 -1.540 10.236 1.00 0.00 ATOM 353 CA THR A 46 0.077 -0.582 9.390 1.00 0.00 ATOM 354 C THR A 46 -1.250 -0.245 10.080 1.00 0.00 ATOM 355 O THR A 46 -1.678 0.907 10.107 1.00 0.00 ATOM 356 CB THR A 46 -0.154 -1.140 7.971 1.00 0.00 ATOM 357 OG1 THR A 46 1.106 -1.230 7.298 1.00 0.00 ATOM 358 CG2 THR A 46 -1.048 -0.223 7.166 1.00 0.00 ATOM 359 N TRP A 47 -1.872 -1.256 10.679 1.00 0.00 ATOM 360 CA TRP A 47 -3.115 -1.055 11.402 1.00 0.00 ATOM 361 C TRP A 47 -2.878 -0.041 12.524 1.00 0.00 ATOM 362 O TRP A 47 -3.661 0.889 12.690 1.00 0.00 ATOM 363 CB TRP A 47 -3.612 -2.376 11.994 1.00 0.00 ATOM 364 CG TRP A 47 -4.765 -2.169 12.941 1.00 0.00 ATOM 365 CD1 TRP A 47 -4.698 -2.091 14.300 1.00 0.00 ATOM 366 CD2 TRP A 47 -6.158 -2.025 12.597 1.00 0.00 ATOM 367 NE1 TRP A 47 -5.957 -1.911 14.825 1.00 0.00 ATOM 368 CE2 TRP A 47 -6.871 -1.876 13.803 1.00 0.00 ATOM 369 CE3 TRP A 47 -6.873 -2.024 11.387 1.00 0.00 ATOM 370 CZ2 TRP A 47 -8.269 -1.728 13.839 1.00 0.00 ATOM 371 CZ3 TRP A 47 -8.268 -1.876 11.421 1.00 0.00 ATOM 372 CH2 TRP A 47 -8.944 -1.731 12.640 1.00 0.00 ATOM 373 N ASP A 48 -1.801 -0.233 13.294 1.00 0.00 ATOM 374 CA ASP A 48 -1.444 0.680 14.389 1.00 0.00 ATOM 375 C ASP A 48 -1.166 2.086 13.871 1.00 0.00 ATOM 376 O ASP A 48 -1.431 3.070 14.551 1.00 0.00 ATOM 377 CB ASP A 48 -0.210 0.176 15.141 1.00 0.00 ATOM 378 CG ASP A 48 -0.474 -1.104 15.924 1.00 0.00 ATOM 379 OD1 ASP A 48 0.508 -1.822 16.198 1.00 0.00 ATOM 380 OD2 ASP A 48 -1.640 -1.395 16.276 1.00 0.00 ATOM 381 N SER A 49 -0.650 2.164 12.649 1.00 0.00 ATOM 382 CA SER A 49 -0.326 3.424 11.995 1.00 0.00 ATOM 383 C SER A 49 -1.577 4.215 11.592 1.00 0.00 ATOM 384 O SER A 49 -1.538 5.435 11.460 1.00 0.00 ATOM 385 CB SER A 49 0.535 3.136 10.761 1.00 0.00 ATOM 386 OG SER A 49 1.005 4.326 10.156 1.00 0.00 ATOM 387 N LEU A 50 -2.687 3.524 11.373 1.00 0.00 ATOM 388 CA LEU A 50 -3.911 4.210 10.987 1.00 0.00 ATOM 389 C LEU A 50 -4.449 5.055 12.142 1.00 0.00 ATOM 390 O LEU A 50 -4.480 4.600 13.294 1.00 0.00 ATOM 391 CB LEU A 50 -4.985 3.201 10.565 1.00 0.00 ATOM 392 CG LEU A 50 -4.779 2.349 9.315 1.00 0.00 ATOM 393 CD1 LEU A 50 -5.925 1.369 9.172 1.00 0.00 ATOM 394 CD2 LEU A 50 -4.684 3.244 8.100 1.00 0.00 ATOM 395 N PRO A 51 -4.837 6.317 11.863 1.00 0.00 ATOM 396 CA PRO A 51 -5.379 7.165 12.932 1.00 0.00 ATOM 397 C PRO A 51 -6.633 6.473 13.484 1.00 0.00 ATOM 398 O PRO A 51 -7.413 5.888 12.723 1.00 0.00 ATOM 399 CB PRO A 51 -5.748 8.447 12.189 1.00 0.00 ATOM 400 CG PRO A 51 -4.734 8.504 11.088 1.00 0.00 ATOM 401 CD PRO A 51 -4.709 7.073 10.601 1.00 0.00 ATOM 402 N ALA A 52 -6.809 6.515 14.801 1.00 0.00 ATOM 403 CA ALA A 52 -7.959 5.886 15.450 1.00 0.00 ATOM 404 C ALA A 52 -9.321 6.300 14.895 1.00 0.00 ATOM 405 O ALA A 52 -10.250 5.496 14.841 1.00 0.00 ATOM 406 CB ALA A 52 -7.916 6.148 16.934 1.00 0.00 ATOM 407 N LYS A 53 -9.445 7.549 14.469 1.00 0.00 ATOM 408 CA LYS A 53 -10.711 8.026 13.938 1.00 0.00 ATOM 409 C LYS A 53 -11.013 7.506 12.543 1.00 0.00 ATOM 410 O LYS A 53 -12.160 7.531 12.119 1.00 0.00 ATOM 411 CB LYS A 53 -10.767 9.555 13.960 1.00 0.00 ATOM 412 CG LYS A 53 -9.831 10.241 12.993 1.00 0.00 ATOM 413 CD LYS A 53 -9.901 11.752 13.143 1.00 0.00 ATOM 414 CE LYS A 53 -9.174 12.463 11.995 1.00 0.00 ATOM 415 NZ LYS A 53 -7.769 11.964 11.782 1.00 0.00 ATOM 416 N VAL A 54 -9.999 7.024 11.830 1.00 0.00 ATOM 417 CA VAL A 54 -10.225 6.516 10.472 1.00 0.00 ATOM 418 C VAL A 54 -10.237 4.989 10.334 1.00 0.00 ATOM 419 O VAL A 54 -10.530 4.483 9.260 1.00 0.00 ATOM 420 CB VAL A 54 -9.221 7.125 9.416 1.00 0.00 ATOM 421 CG1 VAL A 54 -8.982 8.609 9.679 1.00 0.00 ATOM 422 CG2 VAL A 54 -7.902 6.364 9.385 1.00 0.00 ATOM 423 N ARG A 55 -9.949 4.256 11.409 1.00 0.00 ATOM 424 CA ARG A 55 -9.922 2.798 11.350 1.00 0.00 ATOM 425 C ARG A 55 -11.078 2.142 12.099 1.00 0.00 ATOM 426 O ARG A 55 -11.422 2.557 13.202 1.00 0.00 ATOM 427 CB ARG A 55 -8.614 2.275 11.917 1.00 0.00 ATOM 428 CG ARG A 55 -8.538 2.416 13.398 1.00 0.00 ATOM 429 CD ARG A 55 -7.536 1.488 13.973 1.00 0.00 ATOM 430 NE ARG A 55 -6.330 2.195 14.352 1.00 0.00 ATOM 431 CZ ARG A 55 -5.609 1.915 15.430 1.00 0.00 ATOM 432 NH1 ARG A 55 -5.975 0.939 16.245 1.00 0.00 ATOM 433 NH2 ARG A 55 -4.509 2.606 15.688 1.00 0.00 ATOM 434 N PRO A 56 -11.656 1.065 11.538 1.00 0.00 ATOM 435 CA PRO A 56 -11.284 0.452 10.263 1.00 0.00 ATOM 436 C PRO A 56 -11.656 1.357 9.102 1.00 0.00 ATOM 437 O PRO A 56 -12.540 2.198 9.230 1.00 0.00 ATOM 438 CB PRO A 56 -12.124 -0.819 10.250 1.00 0.00 ATOM 439 CG PRO A 56 -13.365 -0.389 10.950 1.00 0.00 ATOM 440 CD PRO A 56 -12.799 0.347 12.136 1.00 0.00 ATOM 441 N LEU A 57 -10.941 1.226 7.990 1.00 0.00 ATOM 442 CA LEU A 57 -11.234 2.025 6.813 1.00 0.00 ATOM 443 C LEU A 57 -12.651 1.688 6.367 1.00 0.00 ATOM 444 O LEU A 57 -12.974 0.516 6.137 1.00 0.00 ATOM 445 CB LEU A 57 -10.241 1.709 5.706 1.00 0.00 ATOM 446 CG LEU A 57 -8.825 2.091 6.091 1.00 0.00 ATOM 447 CD1 LEU A 57 -7.869 1.764 4.955 1.00 0.00 ATOM 448 CD2 LEU A 57 -8.806 3.584 6.403 1.00 0.00 ATOM 449 N PRO A 58 -13.518 2.714 6.246 1.00 0.00 ATOM 450 CA PRO A 58 -14.922 2.568 5.838 1.00 0.00 ATOM 451 C PRO A 58 -15.152 2.033 4.430 1.00 0.00 ATOM 452 O PRO A 58 -14.392 2.352 3.512 1.00 0.00 ATOM 453 CB PRO A 58 -15.466 3.998 5.978 1.00 0.00 ATOM 454 CG PRO A 58 -14.569 4.612 7.018 1.00 0.00 ATOM 455 CD PRO A 58 -13.221 4.116 6.581 1.00 0.00 ATOM 456 N GLY A 59 -16.188 1.207 4.273 1.00 0.00 ATOM 457 CA GLY A 59 -16.538 0.674 2.968 1.00 0.00 ATOM 458 C GLY A 59 -15.651 -0.430 2.449 1.00 0.00 ATOM 459 O GLY A 59 -15.702 -0.770 1.268 1.00 0.00 ATOM 460 N ARG A 60 -14.860 -1.013 3.339 1.00 0.00 ATOM 461 CA ARG A 60 -13.938 -2.072 2.967 1.00 0.00 ATOM 462 C ARG A 60 -13.843 -3.049 4.100 1.00 0.00 ATOM 463 O ARG A 60 -14.011 -2.674 5.247 1.00 0.00 ATOM 464 CB ARG A 60 -12.551 -1.477 2.704 1.00 0.00 ATOM 465 CG ARG A 60 -12.440 -0.769 1.375 1.00 0.00 ATOM 466 CD ARG A 60 -11.445 0.351 1.413 1.00 0.00 ATOM 467 NE ARG A 60 -11.917 1.462 2.234 1.00 0.00 ATOM 468 CZ ARG A 60 -11.303 2.637 2.340 1.00 0.00 ATOM 469 NH1 ARG A 60 -10.178 2.870 1.671 1.00 0.00 ATOM 470 NH2 ARG A 60 -11.817 3.574 3.122 1.00 0.00 ATOM 471 N ARG A 61 -13.609 -4.313 3.786 1.00 0.00 ATOM 472 CA ARG A 61 -13.460 -5.315 4.828 1.00 0.00 ATOM 473 C ARG A 61 -11.980 -5.276 5.234 1.00 0.00 ATOM 474 O ARG A 61 -11.101 -5.585 4.434 1.00 0.00 ATOM 475 CB ARG A 61 -13.856 -6.696 4.297 1.00 0.00 ATOM 476 CG ARG A 61 -13.758 -7.814 5.329 1.00 0.00 ATOM 477 CD ARG A 61 -14.137 -9.141 4.721 1.00 0.00 ATOM 478 NE ARG A 61 -14.057 -10.216 5.706 1.00 0.00 ATOM 479 CZ ARG A 61 -14.095 -11.514 5.414 1.00 0.00 ATOM 480 NH1 ARG A 61 -14.213 -11.916 4.156 1.00 0.00 ATOM 481 NH2 ARG A 61 -14.000 -12.418 6.383 1.00 0.00 ATOM 482 N ASN A 62 -11.709 -4.825 6.456 1.00 0.00 ATOM 483 CA ASN A 62 -10.345 -4.695 6.947 1.00 0.00 ATOM 484 C ASN A 62 -9.805 -5.974 7.522 1.00 0.00 ATOM 485 O ASN A 62 -10.383 -6.528 8.461 1.00 0.00 ATOM 486 CB ASN A 62 -10.275 -3.632 8.023 1.00 0.00 ATOM 487 CG ASN A 62 -10.497 -2.253 7.486 1.00 0.00 ATOM 488 OD1 ASN A 62 -11.431 -2.008 6.709 1.00 0.00 ATOM 489 ND2 ASN A 62 -9.667 -1.322 7.919 1.00 0.00 ATOM 490 N VAL A 63 -8.697 -6.450 6.962 1.00 0.00 ATOM 491 CA VAL A 63 -8.078 -7.681 7.446 1.00 0.00 ATOM 492 C VAL A 63 -6.675 -7.343 7.939 1.00 0.00 ATOM 493 O VAL A 63 -5.899 -6.733 7.214 1.00 0.00 ATOM 494 CB VAL A 63 -8.008 -8.772 6.342 1.00 0.00 ATOM 495 CG1 VAL A 63 -7.379 -10.058 6.901 1.00 0.00 ATOM 496 CG2 VAL A 63 -9.408 -9.082 5.804 1.00 0.00 ATOM 497 N VAL A 64 -6.374 -7.720 9.183 1.00 0.00 ATOM 498 CA VAL A 64 -5.079 -7.453 9.792 1.00 0.00 ATOM 499 C VAL A 64 -4.314 -8.740 10.085 1.00 0.00 ATOM 500 O VAL A 64 -4.818 -9.642 10.764 1.00 0.00 ATOM 501 CB VAL A 64 -5.248 -6.680 11.095 1.00 0.00 ATOM 502 CG1 VAL A 64 -3.896 -6.267 11.643 1.00 0.00 ATOM 503 CG2 VAL A 64 -6.118 -5.471 10.865 1.00 0.00 ATOM 504 N LEU A 65 -3.088 -8.814 9.576 1.00 0.00 ATOM 505 CA LEU A 65 -2.235 -9.976 9.750 1.00 0.00 ATOM 506 C LEU A 65 -1.404 -9.800 11.020 1.00 0.00 ATOM 507 O LEU A 65 -0.736 -8.778 11.183 1.00 0.00 ATOM 508 CB LEU A 65 -1.297 -10.071 8.552 1.00 0.00 ATOM 509 CG LEU A 65 -1.171 -11.348 7.738 1.00 0.00 ATOM 510 CD1 LEU A 65 0.089 -11.237 6.907 1.00 0.00 ATOM 511 CD2 LEU A 65 -1.058 -12.551 8.640 1.00 0.00 ATOM 512 N SER A 66 -1.443 -10.783 11.918 1.00 0.00 ATOM 513 CA SER A 66 -0.666 -10.726 13.156 1.00 0.00 ATOM 514 C SER A 66 -0.295 -12.122 13.638 1.00 0.00 ATOM 515 O SER A 66 -1.009 -13.086 13.377 1.00 0.00 ATOM 516 CB SER A 66 -1.451 -10.002 14.254 1.00 0.00 ATOM 517 OG SER A 66 -0.722 -9.979 15.473 1.00 0.00 ATOM 518 N ARG A 67 0.848 -12.245 14.300 1.00 0.00 ATOM 519 CA ARG A 67 1.250 -13.547 14.827 1.00 0.00 ATOM 520 C ARG A 67 0.671 -13.787 16.218 1.00 0.00 ATOM 521 O ARG A 67 0.778 -14.883 16.756 1.00 0.00 ATOM 522 CB ARG A 67 2.762 -13.694 14.858 1.00 0.00 ATOM 523 CG ARG A 67 3.361 -13.965 13.499 1.00 0.00 ATOM 524 CD ARG A 67 4.769 -14.535 13.631 1.00 0.00 ATOM 525 NE ARG A 67 5.415 -14.674 12.338 1.00 0.00 ATOM 526 CZ ARG A 67 5.989 -13.670 11.698 1.00 0.00 ATOM 527 NH1 ARG A 67 5.997 -12.459 12.240 1.00 0.00 ATOM 528 NH2 ARG A 67 6.532 -13.871 10.509 1.00 0.00 ATOM 529 N GLN A 68 0.096 -12.746 16.812 1.00 0.00 ATOM 530 CA GLN A 68 -0.523 -12.850 18.128 1.00 0.00 ATOM 531 C GLN A 68 -1.953 -13.346 17.908 1.00 0.00 ATOM 532 O GLN A 68 -2.752 -12.677 17.235 1.00 0.00 ATOM 533 CB GLN A 68 -0.576 -11.477 18.787 1.00 0.00 ATOM 534 CG GLN A 68 0.740 -10.734 18.790 1.00 0.00 ATOM 535 CD GLN A 68 0.580 -9.314 19.283 1.00 0.00 ATOM 536 OE1 GLN A 68 -0.143 -9.058 20.254 1.00 0.00 ATOM 537 NE2 GLN A 68 1.231 -8.375 18.605 1.00 0.00 ATOM 538 N ALA A 69 -2.282 -14.518 18.444 1.00 0.00 ATOM 539 CA ALA A 69 -3.633 -15.048 18.272 1.00 0.00 ATOM 540 C ALA A 69 -4.650 -14.208 19.042 1.00 0.00 ATOM 541 O ALA A 69 -5.828 -14.185 18.703 1.00 0.00 ATOM 542 CB ALA A 69 -3.694 -16.493 18.722 1.00 0.00 ATOM 543 N ASP A 70 -4.156 -13.463 20.027 1.00 0.00 ATOM 544 CA ASP A 70 -4.957 -12.602 20.899 1.00 0.00 ATOM 545 C ASP A 70 -5.062 -11.130 20.464 1.00 0.00 ATOM 546 O ASP A 70 -5.618 -10.317 21.204 1.00 0.00 ATOM 547 CB ASP A 70 -4.301 -12.595 22.278 1.00 0.00 ATOM 548 CG ASP A 70 -2.886 -11.993 22.239 1.00 0.00 ATOM 549 OD1 ASP A 70 -1.996 -12.610 21.596 1.00 0.00 ATOM 550 OD2 ASP A 70 -2.672 -10.889 22.809 1.00 0.00 ATOM 551 N PHE A 71 -4.484 -10.763 19.320 1.00 0.00 ATOM 552 CA PHE A 71 -4.517 -9.361 18.907 1.00 0.00 ATOM 553 C PHE A 71 -5.921 -8.788 18.767 1.00 0.00 ATOM 554 O PHE A 71 -6.803 -9.416 18.185 1.00 0.00 ATOM 555 CB PHE A 71 -3.692 -9.113 17.634 1.00 0.00 ATOM 556 CG PHE A 71 -3.423 -7.650 17.380 1.00 0.00 ATOM 557 CD1 PHE A 71 -2.673 -6.902 18.285 1.00 0.00 ATOM 558 CD2 PHE A 71 -3.980 -6.999 16.280 1.00 0.00 ATOM 559 CE1 PHE A 71 -2.489 -5.526 18.103 1.00 0.00 ATOM 560 CE2 PHE A 71 -3.803 -5.622 16.087 1.00 0.00 ATOM 561 CZ PHE A 71 -3.060 -4.886 17.000 1.00 0.00 ATOM 562 N MET A 72 -6.115 -7.596 19.332 1.00 0.00 ATOM 563 CA MET A 72 -7.402 -6.905 19.308 1.00 0.00 ATOM 564 C MET A 72 -7.413 -5.818 18.242 1.00 0.00 ATOM 565 O MET A 72 -6.597 -4.901 18.284 1.00 0.00 ATOM 566 CB MET A 72 -7.679 -6.246 20.670 1.00 0.00 ATOM 567 CG MET A 72 -7.254 -7.065 21.896 1.00 0.00 ATOM 568 SD MET A 72 -8.528 -8.140 22.645 1.00 0.00 ATOM 569 CE MET A 72 -8.880 -7.197 24.182 1.00 0.00 ATOM 570 N ALA A 73 -8.357 -5.901 17.309 1.00 0.00 ATOM 571 CA ALA A 73 -8.476 -4.908 16.247 1.00 0.00 ATOM 572 C ALA A 73 -9.953 -4.659 15.964 1.00 0.00 ATOM 573 O ALA A 73 -10.546 -5.334 15.137 1.00 0.00 ATOM 574 CB ALA A 73 -7.764 -5.397 14.986 1.00 0.00 ATOM 575 N SER A 74 -10.536 -3.677 16.646 1.00 0.00 ATOM 576 CA SER A 74 -11.952 -3.350 16.489 1.00 0.00 ATOM 577 C SER A 74 -12.408 -3.034 15.074 1.00 0.00 ATOM 578 O SER A 74 -11.904 -2.110 14.437 1.00 0.00 ATOM 579 CB SER A 74 -12.338 -2.195 17.415 1.00 0.00 ATOM 580 OG SER A 74 -12.160 -2.575 18.766 1.00 0.00 ATOM 581 N GLY A 75 -13.401 -3.781 14.605 1.00 0.00 ATOM 582 CA GLY A 75 -13.928 -3.561 13.270 1.00 0.00 ATOM 583 C GLY A 75 -13.099 -4.203 12.187 1.00 0.00 ATOM 584 O GLY A 75 -13.351 -3.987 11.009 1.00 0.00 ATOM 585 N ALA A 76 -12.100 -4.985 12.574 1.00 0.00 ATOM 586 CA ALA A 76 -11.255 -5.659 11.602 1.00 0.00 ATOM 587 C ALA A 76 -11.156 -7.136 11.898 1.00 0.00 ATOM 588 O ALA A 76 -11.456 -7.584 13.002 1.00 0.00 ATOM 589 CB ALA A 76 -9.874 -5.053 11.601 1.00 0.00 ATOM 590 N GLU A 77 -10.754 -7.895 10.889 1.00 0.00 ATOM 591 CA GLU A 77 -10.576 -9.328 11.025 1.00 0.00 ATOM 592 C GLU A 77 -9.089 -9.644 11.227 1.00 0.00 ATOM 593 O GLU A 77 -8.284 -9.400 10.337 1.00 0.00 ATOM 594 CB GLU A 77 -11.075 -10.031 9.761 1.00 0.00 ATOM 595 CG GLU A 77 -10.910 -11.532 9.809 1.00 0.00 ATOM 596 CD GLU A 77 -11.173 -12.201 8.489 1.00 0.00 ATOM 597 OE1 GLU A 77 -11.864 -13.240 8.480 1.00 0.00 ATOM 598 OE2 GLU A 77 -10.679 -11.698 7.459 1.00 0.00 ATOM 599 N VAL A 78 -8.727 -10.169 12.398 1.00 0.00 ATOM 600 CA VAL A 78 -7.336 -10.545 12.683 1.00 0.00 ATOM 601 C VAL A 78 -7.102 -11.997 12.277 1.00 0.00 ATOM 602 O VAL A 78 -7.868 -12.879 12.664 1.00 0.00 ATOM 603 CB VAL A 78 -6.974 -10.363 14.179 1.00 0.00 ATOM 604 CG1 VAL A 78 -5.564 -10.881 14.461 1.00 0.00 ATOM 605 CG2 VAL A 78 -7.055 -8.900 14.556 1.00 0.00 ATOM 606 N VAL A 79 -6.100 -12.217 11.423 1.00 0.00 ATOM 607 CA VAL A 79 -5.741 -13.550 10.951 1.00 0.00 ATOM 608 C VAL A 79 -4.259 -13.812 11.275 1.00 0.00 ATOM 609 O VAL A 79 -3.508 -12.875 11.535 1.00 0.00 ATOM 610 CB VAL A 79 -6.031 -13.718 9.430 1.00 0.00 ATOM 611 CG1 VAL A 79 -7.517 -13.536 9.164 1.00 0.00 ATOM 612 CG2 VAL A 79 -5.257 -12.709 8.616 1.00 0.00 ATOM 613 N GLY A 80 -3.850 -15.077 11.321 1.00 0.00 ATOM 614 CA GLY A 80 -2.464 -15.386 11.646 1.00 0.00 ATOM 615 C GLY A 80 -1.590 -15.801 10.478 1.00 0.00 ATOM 616 O GLY A 80 -0.383 -15.971 10.629 1.00 0.00 ATOM 617 N SER A 81 -2.181 -15.922 9.298 1.00 0.00 ATOM 618 CA SER A 81 -1.440 -16.337 8.120 1.00 0.00 ATOM 619 C SER A 81 -1.937 -15.606 6.890 1.00 0.00 ATOM 620 O SER A 81 -3.080 -15.138 6.856 1.00 0.00 ATOM 621 CB SER A 81 -1.613 -17.839 7.911 1.00 0.00 ATOM 622 OG SER A 81 -2.939 -18.151 7.497 1.00 0.00 ATOM 623 N LEU A 82 -1.098 -15.571 5.857 1.00 0.00 ATOM 624 CA LEU A 82 -1.438 -14.907 4.609 1.00 0.00 ATOM 625 C LEU A 82 -2.550 -15.645 3.878 1.00 0.00 ATOM 626 O LEU A 82 -3.398 -15.016 3.243 1.00 0.00 ATOM 627 CB LEU A 82 -0.217 -14.813 3.700 1.00 0.00 ATOM 628 CG LEU A 82 0.143 -13.496 3.001 1.00 0.00 ATOM 629 CD1 LEU A 82 0.510 -13.805 1.558 1.00 0.00 ATOM 630 CD2 LEU A 82 -0.985 -12.488 3.054 1.00 0.00 ATOM 631 N GLU A 83 -2.546 -16.973 3.965 1.00 0.00 ATOM 632 CA GLU A 83 -3.569 -17.786 3.304 1.00 0.00 ATOM 633 C GLU A 83 -4.973 -17.475 3.824 1.00 0.00 ATOM 634 O GLU A 83 -5.942 -17.546 3.077 1.00 0.00 ATOM 635 CB GLU A 83 -3.271 -19.283 3.458 1.00 0.00 ATOM 636 CG GLU A 83 -2.856 -19.700 4.872 1.00 0.00 ATOM 637 CD GLU A 83 -3.276 -21.131 5.243 1.00 0.00 ATOM 638 OE1 GLU A 83 -4.134 -21.708 4.526 1.00 0.00 ATOM 639 OE2 GLU A 83 -2.758 -21.669 6.259 1.00 0.00 ATOM 640 N GLU A 84 -5.075 -17.156 5.112 1.00 0.00 ATOM 641 CA GLU A 84 -6.358 -16.816 5.729 1.00 0.00 ATOM 642 C GLU A 84 -6.797 -15.392 5.350 1.00 0.00 ATOM 643 O GLU A 84 -7.980 -15.068 5.396 1.00 0.00 ATOM 644 CB GLU A 84 -6.267 -16.913 7.254 1.00 0.00 ATOM 645 CG GLU A 84 -6.098 -18.310 7.830 1.00 0.00 ATOM 646 CD GLU A 84 -5.602 -18.269 9.265 1.00 0.00 ATOM 647 OE1 GLU A 84 -6.149 -17.503 10.092 1.00 0.00 ATOM 648 OE2 GLU A 84 -4.637 -18.991 9.576 1.00 0.00 ATOM 649 N ALA A 85 -5.839 -14.545 4.991 1.00 0.00 ATOM 650 CA ALA A 85 -6.139 -13.168 4.618 1.00 0.00 ATOM 651 C ALA A 85 -6.518 -12.969 3.149 1.00 0.00 ATOM 652 O ALA A 85 -7.303 -12.087 2.829 1.00 0.00 ATOM 653 CB ALA A 85 -4.956 -12.282 4.972 1.00 0.00 ATOM 654 N LEU A 86 -5.994 -13.817 2.266 1.00 0.00 ATOM 655 CA LEU A 86 -6.232 -13.702 0.823 1.00 0.00 ATOM 656 C LEU A 86 -7.409 -14.446 0.199 1.00 0.00 ATOM 657 O LEU A 86 -7.500 -14.528 -1.027 1.00 0.00 ATOM 658 CB LEU A 86 -4.958 -14.093 0.079 1.00 0.00 ATOM 659 CG LEU A 86 -3.711 -13.324 0.510 1.00 0.00 ATOM 660 CD1 LEU A 86 -2.489 -13.923 -0.155 1.00 0.00 ATOM 661 CD2 LEU A 86 -3.849 -11.841 0.181 1.00 0.00 ATOM 662 N THR A 87 -8.341 -14.924 1.013 1.00 0.00 ATOM 663 CA THR A 87 -9.482 -15.685 0.496 1.00 0.00 ATOM 664 C THR A 87 -10.458 -14.963 -0.455 1.00 0.00 ATOM 665 O THR A 87 -11.192 -15.621 -1.196 1.00 0.00 ATOM 666 CB THR A 87 -10.261 -16.379 1.643 1.00 0.00 ATOM 667 OG1 THR A 87 -10.833 -15.388 2.498 1.00 0.00 ATOM 668 CG2 THR A 87 -9.328 -17.250 2.473 1.00 0.00 ATOM 669 N SER A 88 -10.469 -13.629 -0.460 1.00 0.00 ATOM 670 CA SER A 88 -11.369 -12.890 -1.358 1.00 0.00 ATOM 671 C SER A 88 -10.829 -12.829 -2.780 1.00 0.00 ATOM 672 O SER A 88 -9.619 -12.770 -2.989 1.00 0.00 ATOM 673 CB SER A 88 -11.582 -11.449 -0.879 1.00 0.00 ATOM 674 OG SER A 88 -12.191 -11.393 0.399 1.00 0.00 ATOM 675 N PRO A 89 -11.727 -12.838 -3.776 1.00 0.00 ATOM 676 CA PRO A 89 -11.437 -12.774 -5.217 1.00 0.00 ATOM 677 C PRO A 89 -10.666 -11.491 -5.598 1.00 0.00 ATOM 678 O PRO A 89 -9.812 -11.506 -6.489 1.00 0.00 ATOM 679 CB PRO A 89 -12.835 -12.798 -5.841 1.00 0.00 ATOM 680 CG PRO A 89 -13.581 -13.678 -4.903 1.00 0.00 ATOM 681 CD PRO A 89 -13.154 -13.133 -3.556 1.00 0.00 ATOM 682 N GLU A 90 -11.030 -10.367 -4.991 1.00 0.00 ATOM 683 CA GLU A 90 -10.314 -9.133 -5.244 1.00 0.00 ATOM 684 C GLU A 90 -9.851 -8.588 -3.895 1.00 0.00 ATOM 685 O GLU A 90 -10.646 -8.095 -3.098 1.00 0.00 ATOM 686 CB GLU A 90 -11.158 -8.111 -6.018 1.00 0.00 ATOM 687 CG GLU A 90 -10.470 -6.737 -6.112 1.00 0.00 ATOM 688 CD GLU A 90 -10.793 -5.940 -7.369 1.00 0.00 ATOM 689 OE1 GLU A 90 -10.209 -4.841 -7.532 1.00 0.00 ATOM 690 OE2 GLU A 90 -11.613 -6.404 -8.191 1.00 0.00 ATOM 691 N THR A 91 -8.562 -8.749 -3.620 1.00 0.00 ATOM 692 CA THR A 91 -7.987 -8.290 -2.363 1.00 0.00 ATOM 693 C THR A 91 -6.901 -7.250 -2.603 1.00 0.00 ATOM 694 O THR A 91 -6.103 -7.375 -3.525 1.00 0.00 ATOM 695 CB THR A 91 -7.353 -9.470 -1.583 1.00 0.00 ATOM 696 OG1 THR A 91 -8.350 -10.453 -1.285 1.00 0.00 ATOM 697 CG2 THR A 91 -6.709 -8.984 -0.290 1.00 0.00 ATOM 698 N TRP A 92 -6.887 -6.203 -1.798 1.00 0.00 ATOM 699 CA TRP A 92 -5.841 -5.209 -1.935 1.00 0.00 ATOM 700 C TRP A 92 -4.993 -5.189 -0.688 1.00 0.00 ATOM 701 O TRP A 92 -5.511 -5.080 0.428 1.00 0.00 ATOM 702 CB TRP A 92 -6.406 -3.819 -2.239 1.00 0.00 ATOM 703 CG TRP A 92 -6.840 -3.700 -3.688 1.00 0.00 ATOM 704 CD1 TRP A 92 -8.097 -3.925 -4.200 1.00 0.00 ATOM 705 CD2 TRP A 92 -5.997 -3.415 -4.813 1.00 0.00 ATOM 706 NE1 TRP A 92 -8.075 -3.807 -5.572 1.00 0.00 ATOM 707 CE2 TRP A 92 -6.801 -3.494 -5.971 1.00 0.00 ATOM 708 CE3 TRP A 92 -4.640 -3.109 -4.952 1.00 0.00 ATOM 709 CZ2 TRP A 92 -6.288 -3.275 -7.249 1.00 0.00 ATOM 710 CZ3 TRP A 92 -4.131 -2.895 -6.222 1.00 0.00 ATOM 711 CH2 TRP A 92 -4.953 -2.980 -7.353 1.00 0.00 ATOM 712 N VAL A 93 -3.696 -5.403 -0.880 1.00 0.00 ATOM 713 CA VAL A 93 -2.737 -5.390 0.215 1.00 0.00 ATOM 714 C VAL A 93 -2.320 -3.918 0.328 1.00 0.00 ATOM 715 O VAL A 93 -1.733 -3.341 -0.589 1.00 0.00 ATOM 716 CB VAL A 93 -1.543 -6.356 -0.088 1.00 0.00 ATOM 717 CG1 VAL A 93 -0.453 -6.231 0.981 1.00 0.00 ATOM 718 CG2 VAL A 93 -2.067 -7.819 -0.149 1.00 0.00 ATOM 719 N ILE A 94 -2.705 -3.297 1.434 1.00 0.00 ATOM 720 CA ILE A 94 -2.450 -1.881 1.632 1.00 0.00 ATOM 721 C ILE A 94 -1.280 -1.565 2.511 1.00 0.00 ATOM 722 O ILE A 94 -1.079 -0.421 2.920 1.00 0.00 ATOM 723 CB ILE A 94 -3.680 -1.159 2.190 1.00 0.00 ATOM 724 CG1 ILE A 94 -3.939 -1.571 3.636 1.00 0.00 ATOM 725 CG2 ILE A 94 -4.881 -1.488 1.344 1.00 0.00 ATOM 726 CD1 ILE A 94 -4.702 -0.520 4.417 1.00 0.00 ATOM 727 N GLY A 95 -0.506 -2.567 2.848 1.00 0.00 ATOM 728 CA GLY A 95 0.590 -2.201 3.664 1.00 0.00 ATOM 729 C GLY A 95 1.327 -3.110 4.559 1.00 0.00 ATOM 730 O GLY A 95 0.788 -3.999 5.215 1.00 0.00 ATOM 731 N GLY A 96 2.465 -2.477 4.818 1.00 0.00 ATOM 732 CA GLY A 96 3.544 -2.934 5.611 1.00 0.00 ATOM 733 C GLY A 96 4.637 -3.260 4.622 1.00 0.00 ATOM 734 O GLY A 96 4.343 -3.849 3.585 1.00 0.00 ATOM 735 N GLY A 97 5.862 -2.815 4.875 1.00 0.00 ATOM 736 CA GLY A 97 6.939 -3.206 3.996 1.00 0.00 ATOM 737 C GLY A 97 7.032 -4.728 4.096 1.00 0.00 ATOM 738 O GLY A 97 7.251 -5.417 3.097 1.00 0.00 ATOM 739 N GLN A 98 6.803 -5.276 5.286 1.00 0.00 ATOM 740 CA GLN A 98 6.843 -6.731 5.475 1.00 0.00 ATOM 741 C GLN A 98 5.736 -7.460 4.721 1.00 0.00 ATOM 742 O GLN A 98 5.980 -8.455 4.028 1.00 0.00 ATOM 743 CB GLN A 98 6.720 -7.107 6.947 1.00 0.00 ATOM 744 CG GLN A 98 7.919 -6.744 7.793 1.00 0.00 ATOM 745 CD GLN A 98 7.688 -7.009 9.261 1.00 0.00 ATOM 746 OE1 GLN A 98 7.983 -6.160 10.118 1.00 0.00 ATOM 747 NE2 GLN A 98 7.154 -8.189 9.569 1.00 0.00 ATOM 748 N VAL A 99 4.514 -6.979 4.871 1.00 0.00 ATOM 749 CA VAL A 99 3.395 -7.616 4.214 1.00 0.00 ATOM 750 C VAL A 99 3.432 -7.530 2.696 1.00 0.00 ATOM 751 O VAL A 99 2.984 -8.459 2.027 1.00 0.00 ATOM 752 CB VAL A 99 2.065 -7.123 4.799 1.00 0.00 ATOM 753 CG1 VAL A 99 0.892 -7.760 4.092 1.00 0.00 ATOM 754 CG2 VAL A 99 2.009 -7.497 6.266 1.00 0.00 ATOM 755 N TYR A 100 3.999 -6.461 2.141 1.00 0.00 ATOM 756 CA TYR A 100 4.101 -6.343 0.682 1.00 0.00 ATOM 757 C TYR A 100 5.042 -7.428 0.165 1.00 0.00 ATOM 758 O TYR A 100 4.808 -8.021 -0.890 1.00 0.00 ATOM 759 CB TYR A 100 4.669 -4.981 0.248 1.00 0.00 ATOM 760 CG TYR A 100 3.735 -3.785 0.367 1.00 0.00 ATOM 761 CD1 TYR A 100 4.187 -2.597 0.943 1.00 0.00 ATOM 762 CD2 TYR A 100 2.416 -3.836 -0.096 1.00 0.00 ATOM 763 CE1 TYR A 100 3.355 -1.488 1.058 1.00 0.00 ATOM 764 CE2 TYR A 100 1.576 -2.731 0.015 1.00 0.00 ATOM 765 CZ TYR A 100 2.060 -1.555 0.596 1.00 0.00 ATOM 766 OH TYR A 100 1.275 -0.423 0.714 1.00 0.00 ATOM 767 N ALA A 101 6.131 -7.657 0.895 1.00 0.00 ATOM 768 CA ALA A 101 7.120 -8.670 0.520 1.00 0.00 ATOM 769 C ALA A 101 6.498 -10.049 0.572 1.00 0.00 ATOM 770 O ALA A 101 6.722 -10.887 -0.299 1.00 0.00 ATOM 771 CB ALA A 101 8.287 -8.616 1.471 1.00 0.00 ATOM 772 N LEU A 102 5.715 -10.268 1.617 1.00 0.00 ATOM 773 CA LEU A 102 5.028 -11.521 1.854 1.00 0.00 ATOM 774 C LEU A 102 3.987 -11.820 0.768 1.00 0.00 ATOM 775 O LEU A 102 3.904 -12.945 0.259 1.00 0.00 ATOM 776 CB LEU A 102 4.338 -11.419 3.215 1.00 0.00 ATOM 777 CG LEU A 102 3.989 -12.625 4.091 1.00 0.00 ATOM 778 CD1 LEU A 102 5.269 -13.374 4.514 1.00 0.00 ATOM 779 CD2 LEU A 102 3.237 -12.115 5.335 1.00 0.00 ATOM 780 N ALA A 103 3.219 -10.800 0.390 1.00 0.00 ATOM 781 CA ALA A 103 2.151 -10.947 -0.595 1.00 0.00 ATOM 782 C ALA A 103 2.513 -10.774 -2.066 1.00 0.00 ATOM 783 O ALA A 103 1.741 -11.163 -2.933 1.00 0.00 ATOM 784 CB ALA A 103 1.011 -10.008 -0.236 1.00 0.00 ATOM 785 N LEU A 104 3.670 -10.189 -2.357 1.00 0.00 ATOM 786 CA LEU A 104 4.079 -9.957 -3.740 1.00 0.00 ATOM 787 C LEU A 104 3.924 -11.172 -4.652 1.00 0.00 ATOM 788 O LEU A 104 3.342 -11.054 -5.736 1.00 0.00 ATOM 789 CB LEU A 104 5.526 -9.475 -3.793 1.00 0.00 ATOM 790 CG LEU A 104 6.030 -8.441 -4.803 1.00 0.00 ATOM 791 CD1 LEU A 104 7.479 -8.762 -5.100 1.00 0.00 ATOM 792 CD2 LEU A 104 5.251 -8.430 -6.068 1.00 0.00 ATOM 793 N PRO A 105 4.418 -12.364 -4.229 1.00 0.00 ATOM 794 CA PRO A 105 4.253 -13.497 -5.148 1.00 0.00 ATOM 795 C PRO A 105 2.818 -13.896 -5.522 1.00 0.00 ATOM 796 O PRO A 105 2.592 -14.447 -6.584 1.00 0.00 ATOM 797 CB PRO A 105 5.071 -14.619 -4.491 1.00 0.00 ATOM 798 CG PRO A 105 5.286 -14.202 -3.104 1.00 0.00 ATOM 799 CD PRO A 105 5.311 -12.709 -3.106 1.00 0.00 ATOM 800 N TYR A 106 1.846 -13.533 -4.692 1.00 0.00 ATOM 801 CA TYR A 106 0.444 -13.847 -4.938 1.00 0.00 ATOM 802 C TYR A 106 -0.211 -12.772 -5.786 1.00 0.00 ATOM 803 O TYR A 106 -1.327 -12.951 -6.260 1.00 0.00 ATOM 804 CB TYR A 106 -0.313 -13.921 -3.609 1.00 0.00 ATOM 805 CG TYR A 106 0.192 -14.985 -2.686 1.00 0.00 ATOM 806 CD1 TYR A 106 1.329 -14.779 -1.894 1.00 0.00 ATOM 807 CD2 TYR A 106 -0.403 -16.245 -2.674 1.00 0.00 ATOM 808 CE1 TYR A 106 1.870 -15.828 -1.121 1.00 0.00 ATOM 809 CE2 TYR A 106 0.128 -17.292 -1.912 1.00 0.00 ATOM 810 CZ TYR A 106 1.263 -17.084 -1.149 1.00 0.00 ATOM 811 OH TYR A 106 1.816 -18.160 -0.486 1.00 0.00 ATOM 812 N ALA A 107 0.501 -11.667 -5.984 1.00 0.00 ATOM 813 CA ALA A 107 -0.020 -10.522 -6.724 1.00 0.00 ATOM 814 C ALA A 107 0.081 -10.514 -8.251 1.00 0.00 ATOM 815 O ALA A 107 1.050 -10.992 -8.828 1.00 0.00 ATOM 816 CB ALA A 107 0.604 -9.242 -6.167 1.00 0.00 ATOM 817 N THR A 108 -0.934 -9.936 -8.886 1.00 0.00 ATOM 818 CA THR A 108 -0.972 -9.789 -10.332 1.00 0.00 ATOM 819 C THR A 108 -1.245 -8.342 -10.703 1.00 0.00 ATOM 820 O THR A 108 -1.366 -8.020 -11.876 1.00 0.00 ATOM 821 CB THR A 108 -2.020 -10.685 -10.989 1.00 0.00 ATOM 822 OG1 THR A 108 -3.235 -10.632 -10.243 1.00 0.00 ATOM 823 CG2 THR A 108 -1.516 -12.129 -11.047 1.00 0.00 ATOM 824 N ARG A 109 -1.342 -7.471 -9.701 1.00 0.00 ATOM 825 CA ARG A 109 -1.564 -6.034 -9.912 1.00 0.00 ATOM 826 C ARG A 109 -0.864 -5.196 -8.845 1.00 0.00 ATOM 827 O ARG A 109 -0.805 -5.584 -7.677 1.00 0.00 ATOM 828 CB ARG A 109 -3.063 -5.674 -9.881 1.00 0.00 ATOM 829 CG ARG A 109 -3.816 -5.918 -11.163 1.00 0.00 ATOM 830 CD ARG A 109 -5.182 -5.266 -11.109 1.00 0.00 ATOM 831 NE ARG A 109 -5.137 -3.799 -11.111 1.00 0.00 ATOM 832 CZ ARG A 109 -6.198 -3.011 -10.913 1.00 0.00 ATOM 833 NH1 ARG A 109 -7.406 -3.532 -10.703 1.00 0.00 ATOM 834 NH2 ARG A 109 -6.042 -1.698 -10.848 1.00 0.00 ATOM 835 N CYS A 110 -0.318 -4.054 -9.260 1.00 0.00 ATOM 836 CA CYS A 110 0.324 -3.116 -8.344 1.00 0.00 ATOM 837 C CYS A 110 -0.106 -1.728 -8.763 1.00 0.00 ATOM 838 O CYS A 110 -0.067 -1.409 -9.940 1.00 0.00 ATOM 839 CB CYS A 110 1.845 -3.188 -8.421 1.00 0.00 ATOM 840 SG CYS A 110 2.590 -4.558 -7.552 1.00 0.00 ATOM 841 N GLU A 111 -0.565 -0.926 -7.810 1.00 0.00 ATOM 842 CA GLU A 111 -0.968 0.459 -8.070 1.00 0.00 ATOM 843 C GLU A 111 -0.006 1.265 -7.226 1.00 0.00 ATOM 844 O GLU A 111 -0.045 1.236 -5.995 1.00 0.00 ATOM 845 CB GLU A 111 -2.420 0.707 -7.663 1.00 0.00 ATOM 846 CG GLU A 111 -3.431 0.052 -8.596 1.00 0.00 ATOM 847 CD GLU A 111 -3.371 0.585 -10.039 1.00 0.00 ATOM 848 OE1 GLU A 111 -2.892 1.719 -10.252 1.00 0.00 ATOM 849 OE2 GLU A 111 -3.815 -0.132 -10.960 1.00 0.00 ATOM 850 N VAL A 112 0.886 1.964 -7.910 1.00 0.00 ATOM 851 CA VAL A 112 1.950 2.703 -7.257 1.00 0.00 ATOM 852 C VAL A 112 1.936 4.199 -7.480 1.00 0.00 ATOM 853 O VAL A 112 1.686 4.675 -8.588 1.00 0.00 ATOM 854 CB VAL A 112 3.320 2.173 -7.757 1.00 0.00 ATOM 855 CG1 VAL A 112 4.485 2.886 -7.050 1.00 0.00 ATOM 856 CG2 VAL A 112 3.397 0.645 -7.589 1.00 0.00 ATOM 857 N THR A 113 2.250 4.933 -6.421 1.00 0.00 ATOM 858 CA THR A 113 2.326 6.382 -6.494 1.00 0.00 ATOM 859 C THR A 113 3.775 6.733 -6.215 1.00 0.00 ATOM 860 O THR A 113 4.294 6.386 -5.157 1.00 0.00 ATOM 861 CB THR A 113 1.450 7.040 -5.415 1.00 0.00 ATOM 862 OG1 THR A 113 0.076 6.739 -5.670 1.00 0.00 ATOM 863 CG2 THR A 113 1.653 8.558 -5.396 1.00 0.00 ATOM 864 N GLU A 114 4.460 7.349 -7.178 1.00 0.00 ATOM 865 CA GLU A 114 5.842 7.752 -6.930 1.00 0.00 ATOM 866 C GLU A 114 5.846 9.221 -6.507 1.00 0.00 ATOM 867 O GLU A 114 5.254 10.064 -7.189 1.00 0.00 ATOM 868 CB GLU A 114 6.712 7.585 -8.166 1.00 0.00 ATOM 869 CG GLU A 114 8.168 7.951 -7.888 1.00 0.00 ATOM 870 CD GLU A 114 9.042 8.012 -9.134 1.00 0.00 ATOM 871 OE1 GLU A 114 8.547 7.750 -10.250 1.00 0.00 ATOM 872 OE2 GLU A 114 10.242 8.332 -8.995 1.00 0.00 ATOM 873 N VAL A 115 6.474 9.505 -5.365 1.00 0.00 ATOM 874 CA VAL A 115 6.584 10.855 -4.828 1.00 0.00 ATOM 875 C VAL A 115 8.000 11.383 -5.091 1.00 0.00 ATOM 876 O VAL A 115 8.995 10.803 -4.650 1.00 0.00 ATOM 877 CB VAL A 115 6.260 10.879 -3.330 1.00 0.00 ATOM 878 CG1 VAL A 115 6.280 12.310 -2.791 1.00 0.00 ATOM 879 CG2 VAL A 115 4.902 10.273 -3.105 1.00 0.00 ATOM 880 N ASP A 116 8.076 12.467 -5.858 1.00 0.00 ATOM 881 CA ASP A 116 9.348 13.079 -6.221 1.00 0.00 ATOM 882 C ASP A 116 9.914 13.906 -5.065 1.00 0.00 ATOM 883 O ASP A 116 9.948 15.137 -5.109 1.00 0.00 ATOM 884 CB ASP A 116 9.147 13.935 -7.472 1.00 0.00 ATOM 885 CG ASP A 116 10.450 14.425 -8.082 1.00 0.00 ATOM 886 OD1 ASP A 116 11.541 14.097 -7.581 1.00 0.00 ATOM 887 OD2 ASP A 116 10.378 15.162 -9.082 1.00 0.00 ATOM 888 N ILE A 117 10.376 13.207 -4.034 1.00 0.00 ATOM 889 CA ILE A 117 10.947 13.838 -2.850 1.00 0.00 ATOM 890 C ILE A 117 12.326 13.221 -2.584 1.00 0.00 ATOM 891 O ILE A 117 12.537 12.035 -2.846 1.00 0.00 ATOM 892 CB ILE A 117 10.022 13.615 -1.631 1.00 0.00 ATOM 893 CG1 ILE A 117 10.591 14.288 -0.386 1.00 0.00 ATOM 894 CG2 ILE A 117 9.804 12.105 -1.380 1.00 0.00 ATOM 895 CD1 ILE A 117 9.731 14.076 0.851 1.00 0.00 ATOM 896 N GLY A 118 13.274 14.044 -2.142 1.00 0.00 ATOM 897 CA GLY A 118 14.614 13.557 -1.840 1.00 0.00 ATOM 898 C GLY A 118 14.573 12.932 -0.468 1.00 0.00 ATOM 899 O GLY A 118 14.466 13.631 0.533 1.00 0.00 ATOM 900 N LEU A 119 14.680 11.611 -0.414 1.00 0.00 ATOM 901 CA LEU A 119 14.581 10.903 0.856 1.00 0.00 ATOM 902 C LEU A 119 15.355 9.590 0.793 1.00 0.00 ATOM 903 O LEU A 119 14.763 8.521 0.684 1.00 0.00 ATOM 904 CB LEU A 119 13.096 10.615 1.122 1.00 0.00 ATOM 905 CG LEU A 119 12.531 10.508 2.535 1.00 0.00 ATOM 906 CD1 LEU A 119 12.711 11.837 3.243 1.00 0.00 ATOM 907 CD2 LEU A 119 11.053 10.139 2.455 1.00 0.00 ATOM 908 N PRO A 120 16.693 9.657 0.840 1.00 0.00 ATOM 909 CA PRO A 120 17.548 8.461 0.788 1.00 0.00 ATOM 910 C PRO A 120 17.163 7.443 1.864 1.00 0.00 ATOM 911 O PRO A 120 16.686 7.823 2.940 1.00 0.00 ATOM 912 CB PRO A 120 18.941 9.040 1.040 1.00 0.00 ATOM 913 CG PRO A 120 18.851 10.414 0.431 1.00 0.00 ATOM 914 CD PRO A 120 17.504 10.885 0.924 1.00 0.00 ATOM 915 N ARG A 121 17.358 6.157 1.577 1.00 0.00 ATOM 916 CA ARG A 121 17.019 5.108 2.537 1.00 0.00 ATOM 917 C ARG A 121 17.898 5.226 3.759 1.00 0.00 ATOM 918 O ARG A 121 19.066 5.586 3.661 1.00 0.00 ATOM 919 CB ARG A 121 17.255 3.702 1.973 1.00 0.00 ATOM 920 CG ARG A 121 16.642 3.391 0.625 1.00 0.00 ATOM 921 CD ARG A 121 17.323 2.150 0.014 1.00 0.00 ATOM 922 NE ARG A 121 17.316 2.135 -1.453 1.00 0.00 ATOM 923 CZ ARG A 121 17.717 3.145 -2.236 1.00 0.00 ATOM 924 NH1 ARG A 121 18.167 4.289 -1.717 1.00 0.00 ATOM 925 NH2 ARG A 121 17.674 3.011 -3.558 1.00 0.00 ATOM 926 N GLU A 122 17.322 4.896 4.904 1.00 0.00 ATOM 927 CA GLU A 122 18.017 4.887 6.173 1.00 0.00 ATOM 928 C GLU A 122 17.719 3.524 6.771 1.00 0.00 ATOM 929 O GLU A 122 16.665 2.952 6.515 1.00 0.00 ATOM 930 CB GLU A 122 17.499 5.996 7.080 1.00 0.00 ATOM 931 CG GLU A 122 18.024 7.358 6.694 1.00 0.00 ATOM 932 CD GLU A 122 17.303 8.496 7.380 1.00 0.00 ATOM 933 OE1 GLU A 122 17.475 9.642 6.927 1.00 0.00 ATOM 934 OE2 GLU A 122 16.552 8.264 8.350 1.00 0.00 ATOM 935 N ALA A 123 18.659 2.988 7.539 1.00 0.00 ATOM 936 CA ALA A 123 18.494 1.682 8.160 1.00 0.00 ATOM 937 C ALA A 123 17.209 1.614 8.962 1.00 0.00 ATOM 938 O ALA A 123 16.914 2.516 9.738 1.00 0.00 ATOM 939 CB ALA A 123 19.660 1.393 9.060 1.00 0.00 ATOM 940 N GLY A 124 16.431 0.561 8.756 1.00 0.00 ATOM 941 CA GLY A 124 15.198 0.425 9.505 1.00 0.00 ATOM 942 C GLY A 124 13.936 0.962 8.866 1.00 0.00 ATOM 943 O GLY A 124 12.855 0.763 9.414 1.00 0.00 ATOM 944 N ASP A 125 14.056 1.632 7.721 1.00 0.00 ATOM 945 CA ASP A 125 12.905 2.200 7.006 1.00 0.00 ATOM 946 C ASP A 125 12.052 1.107 6.406 1.00 0.00 ATOM 947 O ASP A 125 12.560 0.040 6.085 1.00 0.00 ATOM 948 CB ASP A 125 13.369 3.032 5.802 1.00 0.00 ATOM 949 CG ASP A 125 13.855 4.413 6.174 1.00 0.00 ATOM 950 OD1 ASP A 125 13.781 4.828 7.345 1.00 0.00 ATOM 951 OD2 ASP A 125 14.319 5.093 5.250 1.00 0.00 ATOM 952 N ALA A 126 10.768 1.386 6.212 1.00 0.00 ATOM 953 CA ALA A 126 9.892 0.429 5.548 1.00 0.00 ATOM 954 C ALA A 126 10.125 0.742 4.061 1.00 0.00 ATOM 955 O ALA A 126 10.179 1.916 3.663 1.00 0.00 ATOM 956 CB ALA A 126 8.433 0.666 5.936 1.00 0.00 ATOM 957 N LEU A 127 10.343 -0.297 3.260 1.00 0.00 ATOM 958 CA LEU A 127 10.599 -0.117 1.842 1.00 0.00 ATOM 959 C LEU A 127 9.588 -0.810 0.976 1.00 0.00 ATOM 960 O LEU A 127 9.004 -1.815 1.354 1.00 0.00 ATOM 961 CB LEU A 127 11.983 -0.653 1.477 1.00 0.00 ATOM 962 CG LEU A 127 13.172 -0.072 2.242 1.00 0.00 ATOM 963 CD1 LEU A 127 14.415 -0.859 1.917 1.00 0.00 ATOM 964 CD2 LEU A 127 13.344 1.382 1.878 1.00 0.00 ATOM 965 N ALA A 128 9.429 -0.283 -0.226 1.00 0.00 ATOM 966 CA ALA A 128 8.505 -0.830 -1.206 1.00 0.00 ATOM 967 C ALA A 128 9.127 -2.073 -1.844 1.00 0.00 ATOM 968 O ALA A 128 10.356 -2.229 -1.851 1.00 0.00 ATOM 969 CB ALA A 128 8.241 0.212 -2.268 1.00 0.00 ATOM 970 N PRO A 129 8.292 -3.006 -2.333 1.00 0.00 ATOM 971 CA PRO A 129 8.858 -4.202 -2.959 1.00 0.00 ATOM 972 C PRO A 129 9.407 -3.832 -4.339 1.00 0.00 ATOM 973 O PRO A 129 8.961 -2.857 -4.947 1.00 0.00 ATOM 974 CB PRO A 129 7.649 -5.130 -3.055 1.00 0.00 ATOM 975 CG PRO A 129 6.516 -4.183 -3.247 1.00 0.00 ATOM 976 CD PRO A 129 6.823 -3.096 -2.252 1.00 0.00 ATOM 977 N VAL A 130 10.433 -4.552 -4.795 1.00 0.00 ATOM 978 CA VAL A 130 11.017 -4.279 -6.108 1.00 0.00 ATOM 979 C VAL A 130 10.292 -5.126 -7.140 1.00 0.00 ATOM 980 O VAL A 130 10.098 -6.319 -6.932 1.00 0.00 ATOM 981 CB VAL A 130 12.525 -4.613 -6.169 1.00 0.00 ATOM 982 CG1 VAL A 130 13.093 -4.182 -7.525 1.00 0.00 ATOM 983 CG2 VAL A 130 13.273 -3.896 -5.048 1.00 0.00 ATOM 984 N LEU A 131 9.849 -4.489 -8.219 1.00 0.00 ATOM 985 CA LEU A 131 9.134 -5.182 -9.277 1.00 0.00 ATOM 986 C LEU A 131 10.103 -5.605 -10.373 1.00 0.00 ATOM 987 O LEU A 131 10.759 -4.772 -11.000 1.00 0.00 ATOM 988 CB LEU A 131 8.019 -4.297 -9.842 1.00 0.00 ATOM 989 CG LEU A 131 7.028 -3.761 -8.800 1.00 0.00 ATOM 990 CD1 LEU A 131 5.901 -3.052 -9.496 1.00 0.00 ATOM 991 CD2 LEU A 131 6.488 -4.882 -7.946 1.00 0.00 ATOM 992 N ASP A 132 10.242 -6.914 -10.544 1.00 0.00 ATOM 993 CA ASP A 132 11.139 -7.447 -11.556 1.00 0.00 ATOM 994 C ASP A 132 10.514 -7.379 -12.950 1.00 0.00 ATOM 995 O ASP A 132 9.450 -6.783 -13.132 1.00 0.00 ATOM 996 CB ASP A 132 11.580 -8.867 -11.194 1.00 0.00 ATOM 997 CG ASP A 132 10.433 -9.865 -11.181 1.00 0.00 ATOM 998 OD1 ASP A 132 10.629 -10.970 -10.635 1.00 0.00 ATOM 999 OD2 ASP A 132 9.343 -9.576 -11.717 1.00 0.00 ATOM 1000 N GLU A 133 11.137 -8.042 -13.920 1.00 0.00 ATOM 1001 CA GLU A 133 10.622 -7.982 -15.272 1.00 0.00 ATOM 1002 C GLU A 133 9.421 -8.837 -15.618 1.00 0.00 ATOM 1003 O GLU A 133 9.065 -8.926 -16.783 1.00 0.00 ATOM 1004 CB GLU A 133 11.740 -8.134 -16.304 1.00 0.00 ATOM 1005 CG GLU A 133 11.960 -6.869 -17.171 1.00 0.00 ATOM 1006 CD GLU A 133 10.889 -6.672 -18.276 1.00 0.00 ATOM 1007 OE1 GLU A 133 9.817 -6.067 -17.993 1.00 0.00 ATOM 1008 OE2 GLU A 133 11.128 -7.114 -19.436 1.00 0.00 ATOM 1009 N THR A 134 8.775 -9.446 -14.623 1.00 0.00 ATOM 1010 CA THR A 134 7.565 -10.228 -14.898 1.00 0.00 ATOM 1011 C THR A 134 6.405 -9.236 -15.006 1.00 0.00 ATOM 1012 O THR A 134 5.350 -9.541 -15.569 1.00 0.00 ATOM 1013 CB THR A 134 7.241 -11.272 -13.784 1.00 0.00 ATOM 1014 OG1 THR A 134 7.174 -10.640 -12.496 1.00 0.00 ATOM 1015 CG2 THR A 134 8.288 -12.354 -13.756 1.00 0.00 ATOM 1016 N TRP A 135 6.651 -8.020 -14.516 1.00 0.00 ATOM 1017 CA TRP A 135 5.669 -6.943 -14.495 1.00 0.00 ATOM 1018 C TRP A 135 5.685 -6.022 -15.704 1.00 0.00 ATOM 1019 O TRP A 135 6.748 -5.619 -16.170 1.00 0.00 ATOM 1020 CB TRP A 135 5.891 -6.094 -13.247 1.00 0.00 ATOM 1021 CG TRP A 135 5.656 -6.832 -11.967 1.00 0.00 ATOM 1022 CD1 TRP A 135 6.596 -7.416 -11.167 1.00 0.00 ATOM 1023 CD2 TRP A 135 4.400 -7.011 -11.307 1.00 0.00 ATOM 1024 NE1 TRP A 135 6.003 -7.938 -10.044 1.00 0.00 ATOM 1025 CE2 TRP A 135 4.654 -7.701 -10.105 1.00 0.00 ATOM 1026 CE3 TRP A 135 3.080 -6.646 -11.611 1.00 0.00 ATOM 1027 CZ2 TRP A 135 3.639 -8.033 -9.205 1.00 0.00 ATOM 1028 CZ3 TRP A 135 2.074 -6.976 -10.716 1.00 0.00 ATOM 1029 CH2 TRP A 135 2.359 -7.663 -9.528 1.00 0.00 ATOM 1030 N ARG A 136 4.497 -5.675 -16.188 1.00 0.00 ATOM 1031 CA ARG A 136 4.332 -4.750 -17.309 1.00 0.00 ATOM 1032 C ARG A 136 3.676 -3.501 -16.722 1.00 0.00 ATOM 1033 O ARG A 136 2.680 -3.609 -16.004 1.00 0.00 ATOM 1034 CB ARG A 136 3.393 -5.332 -18.371 1.00 0.00 ATOM 1035 CG ARG A 136 3.955 -6.493 -19.180 1.00 0.00 ATOM 1036 CD ARG A 136 3.807 -7.829 -18.453 1.00 0.00 ATOM 1037 NE ARG A 136 2.405 -8.195 -18.226 1.00 0.00 ATOM 1038 CZ ARG A 136 1.722 -9.078 -18.959 1.00 0.00 ATOM 1039 NH1 ARG A 136 2.310 -9.695 -19.982 1.00 0.00 ATOM 1040 NH2 ARG A 136 0.455 -9.367 -18.652 1.00 0.00 ATOM 1041 N GLY A 137 4.192 -2.318 -17.032 1.00 0.00 ATOM 1042 CA GLY A 137 3.575 -1.127 -16.474 1.00 0.00 ATOM 1043 C GLY A 137 3.272 0.049 -17.386 1.00 0.00 ATOM 1044 O GLY A 137 3.739 0.110 -18.520 1.00 0.00 ATOM 1045 N GLU A 138 2.428 0.954 -16.892 1.00 0.00 ATOM 1046 CA GLU A 138 2.061 2.179 -17.603 1.00 0.00 ATOM 1047 C GLU A 138 2.295 3.306 -16.628 1.00 0.00 ATOM 1048 O GLU A 138 1.770 3.286 -15.521 1.00 0.00 ATOM 1049 CB GLU A 138 0.591 2.204 -18.014 1.00 0.00 ATOM 1050 CG GLU A 138 0.143 1.014 -18.794 1.00 0.00 ATOM 1051 CD GLU A 138 -0.638 0.069 -17.923 1.00 0.00 ATOM 1052 OE1 GLU A 138 -0.100 -1.010 -17.568 1.00 0.00 ATOM 1053 OE2 GLU A 138 -1.787 0.433 -17.571 1.00 0.00 ATOM 1054 N THR A 139 3.092 4.279 -17.051 1.00 0.00 ATOM 1055 CA THR A 139 3.432 5.435 -16.238 1.00 0.00 ATOM 1056 C THR A 139 2.562 6.631 -16.593 1.00 0.00 ATOM 1057 O THR A 139 2.492 7.021 -17.758 1.00 0.00 ATOM 1058 CB THR A 139 4.883 5.844 -16.474 1.00 0.00 ATOM 1059 OG1 THR A 139 5.706 4.672 -16.522 1.00 0.00 ATOM 1060 CG2 THR A 139 5.361 6.738 -15.355 1.00 0.00 ATOM 1061 N GLY A 140 1.903 7.203 -15.588 1.00 0.00 ATOM 1062 CA GLY A 140 1.067 8.368 -15.804 1.00 0.00 ATOM 1063 C GLY A 140 1.920 9.620 -15.839 1.00 0.00 ATOM 1064 O GLY A 140 3.127 9.553 -15.641 1.00 0.00 ATOM 1065 N GLU A 141 1.293 10.766 -16.070 1.00 0.00 ATOM 1066 CA GLU A 141 2.012 12.031 -16.141 1.00 0.00 ATOM 1067 C GLU A 141 2.264 12.626 -14.778 1.00 0.00 ATOM 1068 O GLU A 141 1.414 12.541 -13.901 1.00 0.00 ATOM 1069 CB GLU A 141 1.232 13.042 -16.983 1.00 0.00 ATOM 1070 CG GLU A 141 1.127 12.675 -18.468 1.00 0.00 ATOM 1071 CD GLU A 141 2.486 12.537 -19.158 1.00 0.00 ATOM 1072 OE1 GLU A 141 2.698 11.511 -19.846 1.00 0.00 ATOM 1073 OE2 GLU A 141 3.340 13.446 -19.019 1.00 0.00 ATOM 1074 N TRP A 142 3.437 13.226 -14.603 1.00 0.00 ATOM 1075 CA TRP A 142 3.771 13.864 -13.341 1.00 0.00 ATOM 1076 C TRP A 142 2.756 14.987 -13.098 1.00 0.00 ATOM 1077 O TRP A 142 2.270 15.606 -14.042 1.00 0.00 ATOM 1078 CB TRP A 142 5.178 14.463 -13.385 1.00 0.00 ATOM 1079 CG TRP A 142 6.325 13.494 -13.254 1.00 0.00 ATOM 1080 CD1 TRP A 142 7.202 13.135 -14.236 1.00 0.00 ATOM 1081 CD2 TRP A 142 6.801 12.862 -12.050 1.00 0.00 ATOM 1082 NE1 TRP A 142 8.201 12.332 -13.723 1.00 0.00 ATOM 1083 CE2 TRP A 142 7.978 12.150 -12.386 1.00 0.00 ATOM 1084 CE3 TRP A 142 6.354 12.839 -10.723 1.00 0.00 ATOM 1085 CZ2 TRP A 142 8.710 11.422 -11.444 1.00 0.00 ATOM 1086 CZ3 TRP A 142 7.082 12.116 -9.784 1.00 0.00 ATOM 1087 CH2 TRP A 142 8.248 11.416 -10.152 1.00 0.00 ATOM 1088 N ARG A 143 2.407 15.215 -11.839 1.00 0.00 ATOM 1089 CA ARG A 143 1.460 16.260 -11.473 1.00 0.00 ATOM 1090 C ARG A 143 2.019 16.926 -10.226 1.00 0.00 ATOM 1091 O ARG A 143 2.871 16.359 -9.549 1.00 0.00 ATOM 1092 CB ARG A 143 0.074 15.668 -11.142 1.00 0.00 ATOM 1093 CG ARG A 143 -0.463 14.584 -12.102 1.00 0.00 ATOM 1094 CD ARG A 143 -1.877 14.118 -11.684 1.00 0.00 ATOM 1095 NE ARG A 143 -2.332 12.898 -12.377 1.00 0.00 ATOM 1096 CZ ARG A 143 -3.182 11.997 -11.860 1.00 0.00 ATOM 1097 NH1 ARG A 143 -3.686 12.166 -10.635 1.00 0.00 ATOM 1098 NH2 ARG A 143 -3.542 10.923 -12.566 1.00 0.00 ATOM 1099 N PHE A 144 1.579 18.145 -9.940 1.00 0.00 ATOM 1100 CA PHE A 144 2.022 18.831 -8.733 1.00 0.00 ATOM 1101 C PHE A 144 0.923 18.777 -7.673 1.00 0.00 ATOM 1102 O PHE A 144 -0.218 19.157 -7.918 1.00 0.00 ATOM 1103 CB PHE A 144 2.374 20.311 -9.009 1.00 0.00 ATOM 1104 CG PHE A 144 3.851 20.572 -9.211 1.00 0.00 ATOM 1105 CD1 PHE A 144 4.348 20.885 -10.466 1.00 0.00 ATOM 1106 CD2 PHE A 144 4.735 20.516 -8.141 1.00 0.00 ATOM 1107 CE1 PHE A 144 5.696 21.137 -10.651 1.00 0.00 ATOM 1108 CE2 PHE A 144 6.087 20.767 -8.317 1.00 0.00 ATOM 1109 CZ PHE A 144 6.569 21.078 -9.575 1.00 0.00 ATOM 1110 N SER A 145 1.278 18.283 -6.498 1.00 0.00 ATOM 1111 CA SER A 145 0.366 18.213 -5.366 1.00 0.00 ATOM 1112 C SER A 145 0.286 19.615 -4.778 1.00 0.00 ATOM 1113 O SER A 145 1.195 20.421 -4.986 1.00 0.00 ATOM 1114 CB SER A 145 0.973 17.294 -4.317 1.00 0.00 ATOM 1115 OG SER A 145 0.492 17.604 -3.029 1.00 0.00 ATOM 1116 N ARG A 146 -0.762 19.921 -4.021 1.00 0.00 ATOM 1117 CA ARG A 146 -0.799 21.248 -3.427 1.00 0.00 ATOM 1118 C ARG A 146 0.220 21.336 -2.292 1.00 0.00 ATOM 1119 O ARG A 146 0.482 22.417 -1.779 1.00 0.00 ATOM 1120 CB ARG A 146 -2.193 21.651 -2.963 1.00 0.00 ATOM 1121 CG ARG A 146 -2.663 21.015 -1.707 1.00 0.00 ATOM 1122 CD ARG A 146 -4.070 20.505 -1.938 1.00 0.00 ATOM 1123 NE ARG A 146 -4.755 20.213 -0.684 1.00 0.00 ATOM 1124 CZ ARG A 146 -5.723 19.315 -0.550 1.00 0.00 ATOM 1125 NH1 ARG A 146 -6.134 18.594 -1.599 1.00 0.00 ATOM 1126 NH2 ARG A 146 -6.286 19.152 0.641 1.00 0.00 ATOM 1127 N SER A 147 0.806 20.202 -1.907 1.00 0.00 ATOM 1128 CA SER A 147 1.845 20.203 -0.873 1.00 0.00 ATOM 1129 C SER A 147 3.164 20.650 -1.551 1.00 0.00 ATOM 1130 O SER A 147 4.181 20.892 -0.889 1.00 0.00 ATOM 1131 CB SER A 147 2.008 18.810 -0.246 1.00 0.00 ATOM 1132 OG SER A 147 2.525 17.870 -1.180 1.00 0.00 ATOM 1133 N GLY A 148 3.128 20.769 -2.877 1.00 0.00 ATOM 1134 CA GLY A 148 4.297 21.190 -3.613 1.00 0.00 ATOM 1135 C GLY A 148 5.119 20.048 -4.153 1.00 0.00 ATOM 1136 O GLY A 148 6.060 20.269 -4.910 1.00 0.00 ATOM 1137 N LEU A 149 4.784 18.824 -3.766 1.00 0.00 ATOM 1138 CA LEU A 149 5.528 17.668 -4.241 1.00 0.00 ATOM 1139 C LEU A 149 4.998 17.202 -5.569 1.00 0.00 ATOM 1140 O LEU A 149 3.799 17.207 -5.810 1.00 0.00 ATOM 1141 CB LEU A 149 5.445 16.526 -3.233 1.00 0.00 ATOM 1142 CG LEU A 149 6.132 16.756 -1.895 1.00 0.00 ATOM 1143 CD1 LEU A 149 5.898 15.562 -1.020 1.00 0.00 ATOM 1144 CD2 LEU A 149 7.616 16.972 -2.084 1.00 0.00 ATOM 1145 N ARG A 150 5.905 16.830 -6.453 1.00 0.00 ATOM 1146 CA ARG A 150 5.514 16.318 -7.759 1.00 0.00 ATOM 1147 C ARG A 150 5.277 14.815 -7.539 1.00 0.00 ATOM 1148 O ARG A 150 5.957 14.198 -6.723 1.00 0.00 ATOM 1149 CB ARG A 150 6.665 16.550 -8.733 1.00 0.00 ATOM 1150 CG ARG A 150 6.272 16.927 -10.136 1.00 0.00 ATOM 1151 CD ARG A 150 7.485 17.466 -10.890 1.00 0.00 ATOM 1152 NE ARG A 150 8.546 16.467 -10.959 1.00 0.00 ATOM 1153 CZ ARG A 150 8.910 15.824 -12.063 1.00 0.00 ATOM 1154 NH1 ARG A 150 8.307 16.073 -13.218 1.00 0.00 ATOM 1155 NH2 ARG A 150 9.851 14.899 -12.000 1.00 0.00 ATOM 1156 N TYR A 151 4.285 14.236 -8.201 1.00 0.00 ATOM 1157 CA TYR A 151 4.018 12.810 -8.047 1.00 0.00 ATOM 1158 C TYR A 151 3.398 12.249 -9.316 1.00 0.00 ATOM 1159 O TYR A 151 2.906 13.002 -10.158 1.00 0.00 ATOM 1160 CB TYR A 151 3.069 12.552 -6.868 1.00 0.00 ATOM 1161 CG TYR A 151 1.659 13.033 -7.111 1.00 0.00 ATOM 1162 CD1 TYR A 151 0.682 12.173 -7.608 1.00 0.00 ATOM 1163 CD2 TYR A 151 1.309 14.368 -6.890 1.00 0.00 ATOM 1164 CE1 TYR A 151 -0.609 12.633 -7.887 1.00 0.00 ATOM 1165 CE2 TYR A 151 0.019 14.837 -7.165 1.00 0.00 ATOM 1166 CZ TYR A 151 -0.931 13.965 -7.665 1.00 0.00 ATOM 1167 OH TYR A 151 -2.195 14.430 -7.961 1.00 0.00 ATOM 1168 N ARG A 152 3.474 10.931 -9.471 1.00 0.00 ATOM 1169 CA ARG A 152 2.865 10.259 -10.606 1.00 0.00 ATOM 1170 C ARG A 152 2.418 8.866 -10.230 1.00 0.00 ATOM 1171 O ARG A 152 2.920 8.270 -9.286 1.00 0.00 ATOM 1172 CB ARG A 152 3.769 10.228 -11.833 1.00 0.00 ATOM 1173 CG ARG A 152 5.071 9.525 -11.670 1.00 0.00 ATOM 1174 CD ARG A 152 5.712 9.376 -13.022 1.00 0.00 ATOM 1175 NE ARG A 152 7.075 8.903 -12.881 1.00 0.00 ATOM 1176 CZ ARG A 152 7.970 8.871 -13.863 1.00 0.00 ATOM 1177 NH1 ARG A 152 7.640 9.280 -15.077 1.00 0.00 ATOM 1178 NH2 ARG A 152 9.217 8.491 -13.606 1.00 0.00 ATOM 1179 N LEU A 153 1.430 8.376 -10.964 1.00 0.00 ATOM 1180 CA LEU A 153 0.860 7.069 -10.718 1.00 0.00 ATOM 1181 C LEU A 153 1.334 6.056 -11.743 1.00 0.00 ATOM 1182 O LEU A 153 1.555 6.387 -12.906 1.00 0.00 ATOM 1183 CB LEU A 153 -0.668 7.153 -10.739 1.00 0.00 ATOM 1184 CG LEU A 153 -1.325 8.282 -9.924 1.00 0.00 ATOM 1185 CD1 LEU A 153 -2.852 8.179 -10.009 1.00 0.00 ATOM 1186 CD2 LEU A 153 -0.877 8.258 -8.477 1.00 0.00 ATOM 1187 N TYR A 154 1.539 4.829 -11.278 1.00 0.00 ATOM 1188 CA TYR A 154 1.967 3.710 -12.111 1.00 0.00 ATOM 1189 C TYR A 154 0.965 2.580 -11.938 1.00 0.00 ATOM 1190 O TYR A 154 0.433 2.366 -10.851 1.00 0.00 ATOM 1191 CB TYR A 154 3.305 3.163 -11.635 1.00 0.00 ATOM 1192 CG TYR A 154 4.537 3.955 -11.965 1.00 0.00 ATOM 1193 CD1 TYR A 154 4.975 4.978 -11.128 1.00 0.00 ATOM 1194 CD2 TYR A 154 5.339 3.596 -13.054 1.00 0.00 ATOM 1195 CE1 TYR A 154 6.191 5.617 -11.359 1.00 0.00 ATOM 1196 CE2 TYR A 154 6.545 4.224 -13.295 1.00 0.00 ATOM 1197 CZ TYR A 154 6.975 5.229 -12.446 1.00 0.00 ATOM 1198 OH TYR A 154 8.204 5.818 -12.655 1.00 0.00 ATOM 1199 N SER A 155 0.734 1.829 -13.003 1.00 0.00 ATOM 1200 CA SER A 155 -0.163 0.691 -12.954 1.00 0.00 ATOM 1201 C SER A 155 0.575 -0.478 -13.564 1.00 0.00 ATOM 1202 O SER A 155 1.016 -0.416 -14.711 1.00 0.00 ATOM 1203 CB SER A 155 -1.441 0.973 -13.724 1.00 0.00 ATOM 1204 OG SER A 155 -2.278 1.811 -12.958 1.00 0.00 ATOM 1205 N TYR A 156 0.773 -1.512 -12.756 1.00 0.00 ATOM 1206 CA TYR A 156 1.478 -2.701 -13.189 1.00 0.00 ATOM 1207 C TYR A 156 0.574 -3.894 -13.118 1.00 0.00 ATOM 1208 O TYR A 156 -0.313 -3.974 -12.265 1.00 0.00 ATOM 1209 CB TYR A 156 2.655 -2.988 -12.279 1.00 0.00 ATOM 1210 CG TYR A 156 3.749 -1.970 -12.293 1.00 0.00 ATOM 1211 CD1 TYR A 156 3.755 -0.923 -11.372 1.00 0.00 ATOM 1212 CD2 TYR A 156 4.827 -2.096 -13.166 1.00 0.00 ATOM 1213 CE1 TYR A 156 4.798 -0.038 -11.312 1.00 0.00 ATOM 1214 CE2 TYR A 156 5.883 -1.214 -13.114 1.00 0.00 ATOM 1215 CZ TYR A 156 5.863 -0.187 -12.182 1.00 0.00 ATOM 1216 OH TYR A 156 6.925 0.679 -12.091 1.00 0.00 ATOM 1217 N HIS A 157 0.865 -4.856 -13.984 1.00 0.00 ATOM 1218 CA HIS A 157 0.126 -6.102 -14.050 1.00 0.00 ATOM 1219 C HIS A 157 1.036 -7.207 -14.588 1.00 0.00 ATOM 1220 O HIS A 157 2.131 -6.954 -15.106 1.00 0.00 ATOM 1221 CB HIS A 157 -1.112 -5.951 -14.939 1.00 0.00 ATOM 1222 CG HIS A 157 -0.796 -5.532 -16.341 1.00 0.00 ATOM 1223 ND1 HIS A 157 -0.382 -4.254 -16.662 1.00 0.00 ATOM 1224 CD2 HIS A 157 -0.803 -6.229 -17.505 1.00 0.00 ATOM 1225 CE1 HIS A 157 -0.146 -4.184 -17.961 1.00 0.00 ATOM 1226 NE2 HIS A 157 -0.394 -5.368 -18.497 1.00 0.00 ATOM 1227 N ARG A 158 0.601 -8.438 -14.359 1.00 0.00 ATOM 1228 CA ARG A 158 1.283 -9.631 -14.822 1.00 0.00 ATOM 1229 C ARG A 158 0.252 -10.735 -14.697 1.00 0.00 ATOM 1230 O ARG A 158 -0.747 -10.579 -13.993 1.00 0.00 ATOM 1231 CB ARG A 158 2.541 -9.924 -14.001 1.00 0.00 ATOM 1232 CG ARG A 158 2.325 -10.464 -12.617 1.00 0.00 ATOM 1233 CD ARG A 158 3.664 -10.801 -11.994 1.00 0.00 ATOM 1234 NE ARG A 158 3.505 -11.145 -10.584 1.00 0.00 ATOM 1235 CZ ARG A 158 4.498 -11.450 -9.760 1.00 0.00 ATOM 1236 NH1 ARG A 158 5.749 -11.479 -10.194 1.00 0.00 ATOM 1237 NH2 ARG A 158 4.245 -11.665 -8.480 1.00 0.00 ATOM 1238 N SER A 159 0.433 -11.814 -15.442 1.00 0.00 ATOM 1239 CA SER A 159 -0.533 -12.901 -15.384 1.00 0.00 ATOM 1240 C SER A 159 -0.099 -14.117 -14.575 1.00 0.00 ATOM 1241 O SER A 159 -0.928 -15.051 -14.493 1.00 0.00 ATOM 1242 CB SER A 159 -0.960 -13.298 -16.792 1.00 0.00 ATOM 1243 OG SER A 159 -1.558 -12.189 -17.443 1.00 0.00 ATOM 1244 OXT SER A 159 1.011 -14.089 -13.973 1.00 0.00 TER 1245 SER A 159 MODEL 8 REMARK VINA RESULT: -6.3 4.975 8.099 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 3.029 1.573 7.617 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 2.962 1.841 6.105 1.00 20.00 HETATM 3 C1 TOP A 201 2.233 0.989 5.272 1.00 20.00 HETATM 4 N2 TOP A 201 2.147 1.012 3.926 1.00 20.00 HETATM 5 C3 TOP A 201 2.812 2.047 3.283 1.00 20.00 HETATM 6 N5 TOP A 201 3.476 3.065 3.985 1.00 20.00 HETATM 7 C6 TOP A 201 3.560 2.939 5.378 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 2.806 2.090 1.900 1.00 20.00 HETATM 9 H41 TOP A 201 2.935 1.317 1.291 1.00 20.00 HETATM 10 H42 TOP A 201 2.641 2.960 1.388 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 4.266 3.958 5.972 1.00 20.00 HETATM 12 H71 TOP A 201 4.601 3.987 6.918 1.00 20.00 HETATM 13 H72 TOP A 201 4.513 4.800 5.469 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 4.297 0.864 8.202 1.00 20.00 HETATM 15 C11 TOP A 201 4.609 -0.483 7.923 1.00 20.00 HETATM 16 C12 TOP A 201 5.668 -1.182 8.549 1.00 20.00 HETATM 17 C15 TOP A 201 6.591 -0.456 9.361 1.00 20.00 HETATM 18 C18 TOP A 201 6.372 0.942 9.552 1.00 20.00 HETATM 19 C21 TOP A 201 5.231 1.560 8.988 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 5.930 -2.501 8.195 1.00 20.00 HETATM 21 C14 TOP A 201 5.334 -3.562 8.937 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 7.761 -1.036 9.792 1.00 20.00 HETATM 23 C17 TOP A 201 8.808 -1.210 8.845 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 7.319 1.711 10.208 1.00 20.00 HETATM 25 C20 TOP A 201 8.285 2.386 9.410 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL laila/./outfile-laila-0.pdb0000664000076600007660000000460612307606044015232 0ustar galaxygalaxyMODEL 1 REMARK VINA RESULT: -6.8 0.000 0.000 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 3.373 2.655 3.888 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 3.899 2.168 5.248 1.00 20.00 HETATM 3 C1 TOP A 201 4.069 0.803 5.487 1.00 20.00 HETATM 4 N2 TOP A 201 4.419 0.196 6.639 1.00 20.00 HETATM 5 C3 TOP A 201 4.712 1.029 7.711 1.00 20.00 HETATM 6 N5 TOP A 201 4.722 2.427 7.596 1.00 20.00 HETATM 7 C6 TOP A 201 4.298 2.977 6.378 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 5.023 0.462 8.935 1.00 20.00 HETATM 9 H41 TOP A 201 5.475 -0.411 9.077 1.00 20.00 HETATM 10 H42 TOP A 201 4.817 0.936 9.816 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 4.299 4.351 6.376 1.00 20.00 HETATM 12 H71 TOP A 201 3.600 4.955 6.770 1.00 20.00 HETATM 13 H72 TOP A 201 5.048 4.884 5.953 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 1.826 2.776 3.677 1.00 20.00 HETATM 15 C11 TOP A 201 1.224 2.671 2.405 1.00 20.00 HETATM 16 C12 TOP A 201 -0.150 2.915 2.173 1.00 20.00 HETATM 17 C15 TOP A 201 -1.020 3.091 3.292 1.00 20.00 HETATM 18 C18 TOP A 201 -0.453 3.068 4.601 1.00 20.00 HETATM 19 C21 TOP A 201 0.946 2.931 4.762 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 -0.674 2.758 0.895 1.00 20.00 HETATM 21 C14 TOP A 201 -0.801 3.893 0.042 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 -2.387 3.090 3.132 1.00 20.00 HETATM 23 C17 TOP A 201 -3.040 4.343 2.967 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 -1.275 3.088 5.716 1.00 20.00 HETATM 25 C20 TOP A 201 -0.707 3.527 6.945 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL laila/./REC-laila-normal.pdb0000664000076600007660000024266012307606043015330 0ustar galaxygalaxyATOM 1 N MET A 1 -7.666 -12.503 -7.596 1.00 0.00 ATOM 2 CA MET A 1 -6.845 -11.294 -7.883 1.00 0.00 ATOM 3 C MET A 1 -6.358 -10.631 -6.595 1.00 0.00 ATOM 4 O MET A 1 -7.159 -10.238 -5.736 1.00 0.00 ATOM 5 CB MET A 1 -7.666 -10.277 -8.686 1.00 0.00 ATOM 6 CG MET A 1 -6.868 -9.138 -9.382 1.00 0.00 ATOM 7 SD MET A 1 -6.016 -7.851 -8.372 1.00 0.00 ATOM 8 CE MET A 1 -7.337 -7.058 -7.519 1.00 0.00 ATOM 9 N VAL A 2 -5.039 -10.569 -6.443 1.00 0.00 ATOM 10 CA VAL A 2 -4.432 -9.905 -5.306 1.00 0.00 ATOM 11 C VAL A 2 -3.626 -8.757 -5.882 1.00 0.00 ATOM 12 O VAL A 2 -2.848 -8.935 -6.820 1.00 0.00 ATOM 13 CB VAL A 2 -3.518 -10.833 -4.505 1.00 0.00 ATOM 14 CG1 VAL A 2 -2.790 -10.057 -3.441 1.00 0.00 ATOM 15 CG2 VAL A 2 -4.333 -11.907 -3.852 1.00 0.00 ATOM 16 N GLY A 3 -3.883 -7.561 -5.370 1.00 0.00 ATOM 17 CA GLY A 3 -3.157 -6.395 -5.826 1.00 0.00 ATOM 18 C GLY A 3 -2.468 -5.721 -4.668 1.00 0.00 ATOM 19 O GLY A 3 -2.866 -5.888 -3.520 1.00 0.00 ATOM 20 N LEU A 4 -1.386 -5.019 -4.962 1.00 0.00 ATOM 21 CA LEU A 4 -0.663 -4.285 -3.945 1.00 0.00 ATOM 22 C LEU A 4 -0.829 -2.807 -4.262 1.00 0.00 ATOM 23 O LEU A 4 -0.918 -2.440 -5.420 1.00 0.00 ATOM 24 CB LEU A 4 0.828 -4.629 -3.989 1.00 0.00 ATOM 25 CG LEU A 4 1.392 -5.804 -3.185 1.00 0.00 ATOM 26 CD1 LEU A 4 0.551 -7.043 -3.328 1.00 0.00 ATOM 27 CD2 LEU A 4 2.836 -6.059 -3.615 1.00 0.00 ATOM 28 N ILE A 5 -0.940 -1.967 -3.239 1.00 0.00 ATOM 29 CA ILE A 5 -1.043 -0.531 -3.464 1.00 0.00 ATOM 30 C ILE A 5 -0.207 0.196 -2.419 1.00 0.00 ATOM 31 O ILE A 5 -0.243 -0.143 -1.235 1.00 0.00 ATOM 32 CB ILE A 5 -2.525 -0.020 -3.488 1.00 0.00 ATOM 33 CG1 ILE A 5 -2.556 1.504 -3.678 1.00 0.00 ATOM 34 CG2 ILE A 5 -3.269 -0.410 -2.227 1.00 0.00 ATOM 35 CD1 ILE A 5 -3.933 2.054 -4.027 1.00 0.00 ATOM 36 N TRP A 6 0.628 1.123 -2.878 1.00 0.00 ATOM 37 CA TRP A 6 1.479 1.898 -1.989 1.00 0.00 ATOM 38 C TRP A 6 1.942 3.188 -2.655 1.00 0.00 ATOM 39 O TRP A 6 1.821 3.357 -3.868 1.00 0.00 ATOM 40 CB TRP A 6 2.719 1.088 -1.567 1.00 0.00 ATOM 41 CG TRP A 6 3.782 0.892 -2.652 1.00 0.00 ATOM 42 CD1 TRP A 6 4.800 1.754 -2.976 1.00 0.00 ATOM 43 CD2 TRP A 6 3.934 -0.246 -3.514 1.00 0.00 ATOM 44 NE1 TRP A 6 5.574 1.221 -3.979 1.00 0.00 ATOM 45 CE2 TRP A 6 5.065 -0.003 -4.329 1.00 0.00 ATOM 46 CE3 TRP A 6 3.229 -1.450 -3.669 1.00 0.00 ATOM 47 CZ2 TRP A 6 5.507 -0.919 -5.289 1.00 0.00 ATOM 48 CZ3 TRP A 6 3.669 -2.359 -4.621 1.00 0.00 ATOM 49 CH2 TRP A 6 4.799 -2.085 -5.419 1.00 0.00 ATOM 50 N ALA A 7 2.491 4.078 -1.838 1.00 0.00 ATOM 51 CA ALA A 7 3.047 5.354 -2.271 1.00 0.00 ATOM 52 C ALA A 7 4.509 5.327 -1.791 1.00 0.00 ATOM 53 O ALA A 7 4.778 5.052 -0.622 1.00 0.00 ATOM 54 CB ALA A 7 2.288 6.522 -1.613 1.00 0.00 ATOM 55 N GLN A 8 5.450 5.583 -2.693 1.00 0.00 ATOM 56 CA GLN A 8 6.860 5.559 -2.331 1.00 0.00 ATOM 57 C GLN A 8 7.632 6.758 -2.847 1.00 0.00 ATOM 58 O GLN A 8 7.283 7.331 -3.880 1.00 0.00 ATOM 59 CB GLN A 8 7.539 4.324 -2.923 1.00 0.00 ATOM 60 CG GLN A 8 7.620 4.364 -4.434 1.00 0.00 ATOM 61 CD GLN A 8 8.529 3.308 -5.000 1.00 0.00 ATOM 62 OE1 GLN A 8 8.129 2.168 -5.184 1.00 0.00 ATOM 63 NE2 GLN A 8 9.765 3.686 -5.296 1.00 0.00 ATOM 64 N ALA A 9 8.690 7.104 -2.113 1.00 0.00 ATOM 65 CA ALA A 9 9.607 8.159 -2.516 1.00 0.00 ATOM 66 C ALA A 9 10.380 7.485 -3.638 1.00 0.00 ATOM 67 O ALA A 9 10.480 6.260 -3.675 1.00 0.00 ATOM 68 CB ALA A 9 10.570 8.523 -1.364 1.00 0.00 ATOM 69 N THR A 10 10.903 8.265 -4.567 1.00 0.00 ATOM 70 CA THR A 10 11.675 7.712 -5.673 1.00 0.00 ATOM 71 C THR A 10 12.703 6.688 -5.168 1.00 0.00 ATOM 72 O THR A 10 12.987 5.686 -5.827 1.00 0.00 ATOM 73 CB THR A 10 12.396 8.862 -6.391 1.00 0.00 ATOM 74 OG1 THR A 10 11.411 9.718 -6.985 1.00 0.00 ATOM 75 CG2 THR A 10 13.361 8.343 -7.452 1.00 0.00 ATOM 76 N SER A 11 13.194 6.925 -3.959 1.00 0.00 ATOM 77 CA SER A 11 14.191 6.086 -3.312 1.00 0.00 ATOM 78 C SER A 11 13.677 4.725 -2.888 1.00 0.00 ATOM 79 O SER A 11 14.466 3.825 -2.601 1.00 0.00 ATOM 80 CB SER A 11 14.721 6.799 -2.079 1.00 0.00 ATOM 81 OG SER A 11 13.709 6.913 -1.093 1.00 0.00 ATOM 82 N GLY A 12 12.356 4.597 -2.784 1.00 0.00 ATOM 83 CA GLY A 12 11.761 3.333 -2.379 1.00 0.00 ATOM 84 C GLY A 12 11.257 3.333 -0.950 1.00 0.00 ATOM 85 O GLY A 12 10.607 2.380 -0.523 1.00 0.00 ATOM 86 N VAL A 13 11.535 4.408 -0.212 1.00 0.00 ATOM 87 CA VAL A 13 11.091 4.521 1.173 1.00 0.00 ATOM 88 C VAL A 13 9.592 4.738 1.196 1.00 0.00 ATOM 89 O VAL A 13 9.078 5.560 0.445 1.00 0.00 ATOM 90 CB VAL A 13 11.782 5.711 1.900 1.00 0.00 ATOM 91 CG1 VAL A 13 11.249 5.869 3.333 1.00 0.00 ATOM 92 CG2 VAL A 13 13.287 5.502 1.916 1.00 0.00 ATOM 93 N ILE A 14 8.888 3.952 2.005 1.00 0.00 ATOM 94 CA ILE A 14 7.449 4.104 2.127 1.00 0.00 ATOM 95 C ILE A 14 7.083 4.445 3.562 1.00 0.00 ATOM 96 O ILE A 14 6.001 4.960 3.822 1.00 0.00 ATOM 97 CB ILE A 14 6.648 2.833 1.700 1.00 0.00 ATOM 98 CG1 ILE A 14 6.988 1.644 2.596 1.00 0.00 ATOM 99 CG2 ILE A 14 6.872 2.524 0.242 1.00 0.00 ATOM 100 CD1 ILE A 14 6.010 0.468 2.490 1.00 0.00 ATOM 101 N GLY A 15 7.994 4.191 4.498 1.00 0.00 ATOM 102 CA GLY A 15 7.699 4.471 5.895 1.00 0.00 ATOM 103 C GLY A 15 8.940 4.712 6.725 1.00 0.00 ATOM 104 O GLY A 15 10.000 4.147 6.452 1.00 0.00 ATOM 105 N ARG A 16 8.804 5.566 7.734 1.00 0.00 ATOM 106 CA ARG A 16 9.905 5.906 8.632 1.00 0.00 ATOM 107 C ARG A 16 9.331 6.375 9.963 1.00 0.00 ATOM 108 O ARG A 16 8.442 7.217 9.985 1.00 0.00 ATOM 109 CB ARG A 16 10.781 7.004 8.026 1.00 0.00 ATOM 110 CG ARG A 16 11.960 7.387 8.905 1.00 0.00 ATOM 111 CD ARG A 16 12.892 8.330 8.189 1.00 0.00 ATOM 112 NE ARG A 16 13.458 7.722 6.993 1.00 0.00 ATOM 113 CZ ARG A 16 14.131 8.394 6.067 1.00 0.00 ATOM 114 NH1 ARG A 16 14.310 9.691 6.204 1.00 0.00 ATOM 115 NH2 ARG A 16 14.642 7.775 5.009 1.00 0.00 ATOM 116 N GLY A 17 9.825 5.814 11.068 1.00 0.00 ATOM 117 CA GLY A 17 9.339 6.191 12.390 1.00 0.00 ATOM 118 C GLY A 17 7.873 5.849 12.592 1.00 0.00 ATOM 119 O GLY A 17 7.176 6.454 13.409 1.00 0.00 ATOM 120 N GLY A 18 7.400 4.869 11.835 1.00 0.00 ATOM 121 CA GLY A 18 6.015 4.474 11.934 1.00 0.00 ATOM 122 C GLY A 18 5.066 5.376 11.166 1.00 0.00 ATOM 123 O GLY A 18 3.859 5.183 11.252 1.00 0.00 ATOM 124 N ASP A 19 5.588 6.326 10.392 1.00 0.00 ATOM 125 CA ASP A 19 4.741 7.244 9.620 1.00 0.00 ATOM 126 C ASP A 19 5.092 7.223 8.138 1.00 0.00 ATOM 127 O ASP A 19 6.038 6.562 7.726 1.00 0.00 ATOM 128 CB ASP A 19 4.943 8.700 10.087 1.00 0.00 ATOM 129 CG ASP A 19 4.688 8.901 11.574 1.00 0.00 ATOM 130 OD1 ASP A 19 5.505 9.604 12.222 1.00 0.00 ATOM 131 OD2 ASP A 19 3.676 8.375 12.088 1.00 0.00 ATOM 132 N ILE A 20 4.278 7.904 7.338 1.00 0.00 ATOM 133 CA ILE A 20 4.557 8.060 5.921 1.00 0.00 ATOM 134 C ILE A 20 5.328 9.381 5.998 1.00 0.00 ATOM 135 O ILE A 20 4.806 10.369 6.504 1.00 0.00 ATOM 136 CB ILE A 20 3.279 8.207 5.094 1.00 0.00 ATOM 137 CG1 ILE A 20 2.551 6.858 5.032 1.00 0.00 ATOM 138 CG2 ILE A 20 3.613 8.681 3.705 1.00 0.00 ATOM 139 CD1 ILE A 20 1.351 6.819 4.092 1.00 0.00 ATOM 140 N PRO A 21 6.577 9.414 5.506 1.00 0.00 ATOM 141 CA PRO A 21 7.424 10.608 5.542 1.00 0.00 ATOM 142 C PRO A 21 7.161 11.744 4.554 1.00 0.00 ATOM 143 O PRO A 21 8.101 12.386 4.085 1.00 0.00 ATOM 144 CB PRO A 21 8.841 10.039 5.361 1.00 0.00 ATOM 145 CG PRO A 21 8.653 8.531 5.121 1.00 0.00 ATOM 146 CD PRO A 21 7.228 8.354 4.725 1.00 0.00 ATOM 147 N TRP A 22 5.899 11.999 4.242 1.00 0.00 ATOM 148 CA TRP A 22 5.542 13.081 3.325 1.00 0.00 ATOM 149 C TRP A 22 4.056 13.356 3.383 1.00 0.00 ATOM 150 O TRP A 22 3.289 12.556 3.909 1.00 0.00 ATOM 151 CB TRP A 22 5.946 12.765 1.874 1.00 0.00 ATOM 152 CG TRP A 22 5.300 11.539 1.284 1.00 0.00 ATOM 153 CD1 TRP A 22 4.031 11.431 0.797 1.00 0.00 ATOM 154 CD2 TRP A 22 5.895 10.246 1.137 1.00 0.00 ATOM 155 NE1 TRP A 22 3.796 10.146 0.361 1.00 0.00 ATOM 156 CE2 TRP A 22 4.923 9.399 0.560 1.00 0.00 ATOM 157 CE3 TRP A 22 7.158 9.716 1.445 1.00 0.00 ATOM 158 CZ2 TRP A 22 5.171 8.056 0.285 1.00 0.00 ATOM 159 CZ3 TRP A 22 7.400 8.369 1.168 1.00 0.00 ATOM 160 CH2 TRP A 22 6.409 7.561 0.597 1.00 0.00 ATOM 161 N ARG A 23 3.665 14.501 2.840 1.00 0.00 ATOM 162 CA ARG A 23 2.262 14.893 2.793 1.00 0.00 ATOM 163 C ARG A 23 1.862 14.994 1.332 1.00 0.00 ATOM 164 O ARG A 23 2.514 15.679 0.538 1.00 0.00 ATOM 165 CB ARG A 23 1.993 16.228 3.514 1.00 0.00 ATOM 166 CG ARG A 23 3.174 16.877 4.228 1.00 0.00 ATOM 167 CD ARG A 23 4.185 17.444 3.223 1.00 0.00 ATOM 168 NE ARG A 23 5.295 16.523 2.965 1.00 0.00 ATOM 169 CZ ARG A 23 6.397 16.843 2.292 1.00 0.00 ATOM 170 NH1 ARG A 23 6.545 18.062 1.783 1.00 0.00 ATOM 171 NH2 ARG A 23 7.392 15.970 2.192 1.00 0.00 ATOM 172 N LEU A 24 0.805 14.271 0.985 1.00 0.00 ATOM 173 CA LEU A 24 0.281 14.219 -0.371 1.00 0.00 ATOM 174 C LEU A 24 -1.200 13.995 -0.195 1.00 0.00 ATOM 175 O LEU A 24 -1.671 12.863 -0.223 1.00 0.00 ATOM 176 CB LEU A 24 0.902 13.035 -1.135 1.00 0.00 ATOM 177 CG LEU A 24 0.633 12.905 -2.635 1.00 0.00 ATOM 178 CD1 LEU A 24 1.054 14.154 -3.341 1.00 0.00 ATOM 179 CD2 LEU A 24 1.411 11.758 -3.197 1.00 0.00 ATOM 180 N PRO A 25 -1.959 15.078 0.009 1.00 0.00 ATOM 181 CA PRO A 25 -3.407 15.018 0.204 1.00 0.00 ATOM 182 C PRO A 25 -4.194 14.334 -0.910 1.00 0.00 ATOM 183 O PRO A 25 -5.222 13.722 -0.635 1.00 0.00 ATOM 184 CB PRO A 25 -3.788 16.486 0.385 1.00 0.00 ATOM 185 CG PRO A 25 -2.724 17.222 -0.371 1.00 0.00 ATOM 186 CD PRO A 25 -1.488 16.473 0.021 1.00 0.00 ATOM 187 N GLU A 26 -3.696 14.383 -2.144 1.00 0.00 ATOM 188 CA GLU A 26 -4.383 13.750 -3.274 1.00 0.00 ATOM 189 C GLU A 26 -4.278 12.226 -3.254 1.00 0.00 ATOM 190 O GLU A 26 -4.952 11.535 -4.023 1.00 0.00 ATOM 191 CB GLU A 26 -3.813 14.248 -4.603 1.00 0.00 ATOM 192 CG GLU A 26 -3.989 15.732 -4.844 1.00 0.00 ATOM 193 CD GLU A 26 -2.898 16.573 -4.223 1.00 0.00 ATOM 194 OE1 GLU A 26 -2.070 16.028 -3.462 1.00 0.00 ATOM 195 OE2 GLU A 26 -2.867 17.793 -4.509 1.00 0.00 ATOM 196 N ASP A 27 -3.400 11.714 -2.400 1.00 0.00 ATOM 197 CA ASP A 27 -3.174 10.279 -2.296 1.00 0.00 ATOM 198 C ASP A 27 -4.391 9.570 -1.732 1.00 0.00 ATOM 199 O ASP A 27 -4.848 8.566 -2.276 1.00 0.00 ATOM 200 CB ASP A 27 -1.938 10.018 -1.423 1.00 0.00 ATOM 201 CG ASP A 27 -1.631 8.537 -1.236 1.00 0.00 ATOM 202 OD1 ASP A 27 -1.279 7.852 -2.212 1.00 0.00 ATOM 203 OD2 ASP A 27 -1.709 8.063 -0.089 1.00 0.00 ATOM 204 N GLN A 28 -4.946 10.149 -0.678 1.00 0.00 ATOM 205 CA GLN A 28 -6.104 9.590 0.013 1.00 0.00 ATOM 206 C GLN A 28 -7.252 9.211 -0.914 1.00 0.00 ATOM 207 O GLN A 28 -7.851 8.144 -0.766 1.00 0.00 ATOM 208 CB GLN A 28 -6.584 10.582 1.074 1.00 0.00 ATOM 209 CG GLN A 28 -5.429 11.160 1.904 1.00 0.00 ATOM 210 CD GLN A 28 -5.753 12.517 2.536 1.00 0.00 ATOM 211 OE1 GLN A 28 -6.578 13.292 2.020 1.00 0.00 ATOM 212 NE2 GLN A 28 -5.081 12.822 3.649 1.00 0.00 ATOM 213 N ALA A 29 -7.536 10.082 -1.879 1.00 0.00 ATOM 214 CA ALA A 29 -8.618 9.872 -2.829 1.00 0.00 ATOM 215 C ALA A 29 -8.303 8.806 -3.862 1.00 0.00 ATOM 216 O ALA A 29 -9.203 8.103 -4.319 1.00 0.00 ATOM 217 CB ALA A 29 -8.972 11.177 -3.507 1.00 0.00 ATOM 218 N HIS A 30 -7.044 8.718 -4.285 1.00 0.00 ATOM 219 CA HIS A 30 -6.665 7.697 -5.257 1.00 0.00 ATOM 220 C HIS A 30 -6.693 6.320 -4.573 1.00 0.00 ATOM 221 O HIS A 30 -7.133 5.326 -5.146 1.00 0.00 ATOM 222 CB HIS A 30 -5.277 7.966 -5.839 1.00 0.00 ATOM 223 CG HIS A 30 -4.825 6.897 -6.785 1.00 0.00 ATOM 224 ND1 HIS A 30 -3.750 6.071 -6.519 1.00 0.00 ATOM 225 CD2 HIS A 30 -5.347 6.468 -7.957 1.00 0.00 ATOM 226 CE1 HIS A 30 -3.633 5.179 -7.487 1.00 0.00 ATOM 227 NE2 HIS A 30 -4.588 5.397 -8.372 1.00 0.00 ATOM 228 N PHE A 31 -6.206 6.277 -3.343 1.00 0.00 ATOM 229 CA PHE A 31 -6.192 5.053 -2.560 1.00 0.00 ATOM 230 C PHE A 31 -7.633 4.585 -2.367 1.00 0.00 ATOM 231 O PHE A 31 -7.949 3.413 -2.574 1.00 0.00 ATOM 232 CB PHE A 31 -5.520 5.331 -1.210 1.00 0.00 ATOM 233 CG PHE A 31 -5.630 4.207 -0.216 1.00 0.00 ATOM 234 CD1 PHE A 31 -4.886 3.042 -0.370 1.00 0.00 ATOM 235 CD2 PHE A 31 -6.469 4.325 0.885 1.00 0.00 ATOM 236 CE1 PHE A 31 -4.972 2.014 0.556 1.00 0.00 ATOM 237 CE2 PHE A 31 -6.560 3.303 1.821 1.00 0.00 ATOM 238 CZ PHE A 31 -5.805 2.139 1.653 1.00 0.00 ATOM 239 N ARG A 32 -8.509 5.519 -2.010 1.00 0.00 ATOM 240 CA ARG A 32 -9.917 5.229 -1.786 1.00 0.00 ATOM 241 C ARG A 32 -10.570 4.670 -3.044 1.00 0.00 ATOM 242 O ARG A 32 -11.207 3.620 -3.008 1.00 0.00 ATOM 243 CB ARG A 32 -10.645 6.504 -1.341 1.00 0.00 ATOM 244 CG ARG A 32 -12.093 6.299 -0.929 1.00 0.00 ATOM 245 CD ARG A 32 -12.817 7.625 -0.717 1.00 0.00 ATOM 246 NE ARG A 32 -14.239 7.447 -0.370 1.00 0.00 ATOM 247 CZ ARG A 32 -15.183 6.942 -1.175 1.00 0.00 ATOM 248 NH1 ARG A 32 -14.887 6.545 -2.408 1.00 0.00 ATOM 249 NH2 ARG A 32 -16.433 6.822 -0.737 1.00 0.00 ATOM 250 N GLU A 33 -10.348 5.350 -4.164 1.00 0.00 ATOM 251 CA GLU A 33 -10.913 4.971 -5.445 1.00 0.00 ATOM 252 C GLU A 33 -10.592 3.528 -5.824 1.00 0.00 ATOM 253 O GLU A 33 -11.457 2.794 -6.302 1.00 0.00 ATOM 254 CB GLU A 33 -10.398 5.930 -6.529 1.00 0.00 ATOM 255 CG GLU A 33 -11.332 6.143 -7.718 1.00 0.00 ATOM 256 CD GLU A 33 -11.653 4.853 -8.465 1.00 0.00 ATOM 257 OE1 GLU A 33 -10.734 4.296 -9.114 1.00 0.00 ATOM 258 OE2 GLU A 33 -12.818 4.384 -8.385 1.00 0.00 ATOM 259 N ILE A 34 -9.354 3.118 -5.582 1.00 0.00 ATOM 260 CA ILE A 34 -8.901 1.777 -5.929 1.00 0.00 ATOM 261 C ILE A 34 -9.386 0.692 -4.964 1.00 0.00 ATOM 262 O ILE A 34 -9.823 -0.386 -5.395 1.00 0.00 ATOM 263 CB ILE A 34 -7.343 1.748 -6.011 1.00 0.00 ATOM 264 CG1 ILE A 34 -6.848 2.478 -7.270 1.00 0.00 ATOM 265 CG2 ILE A 34 -6.813 0.328 -5.939 1.00 0.00 ATOM 266 CD1 ILE A 34 -7.175 1.780 -8.566 1.00 0.00 ATOM 267 N THR A 35 -9.341 0.996 -3.669 1.00 0.00 ATOM 268 CA THR A 35 -9.709 0.037 -2.634 1.00 0.00 ATOM 269 C THR A 35 -11.167 -0.058 -2.203 1.00 0.00 ATOM 270 O THR A 35 -11.588 -1.093 -1.691 1.00 0.00 ATOM 271 CB THR A 35 -8.831 0.239 -1.366 1.00 0.00 ATOM 272 OG1 THR A 35 -9.074 1.530 -0.780 1.00 0.00 ATOM 273 CG2 THR A 35 -7.357 0.114 -1.723 1.00 0.00 ATOM 274 N MET A 36 -11.944 0.997 -2.430 1.00 0.00 ATOM 275 CA MET A 36 -13.336 1.027 -1.993 1.00 0.00 ATOM 276 C MET A 36 -14.174 -0.193 -2.371 1.00 0.00 ATOM 277 O MET A 36 -14.125 -0.665 -3.497 1.00 0.00 ATOM 278 CB MET A 36 -14.010 2.316 -2.471 1.00 0.00 ATOM 279 CG MET A 36 -15.363 2.562 -1.818 1.00 0.00 ATOM 280 SD MET A 36 -15.317 2.566 -0.000 1.00 0.00 ATOM 281 CE MET A 36 -14.159 3.876 0.311 1.00 0.00 ATOM 282 N GLY A 37 -14.916 -0.721 -1.396 1.00 0.00 ATOM 283 CA GLY A 37 -15.761 -1.880 -1.632 1.00 0.00 ATOM 284 C GLY A 37 -15.056 -3.229 -1.665 1.00 0.00 ATOM 285 O GLY A 37 -15.703 -4.259 -1.875 1.00 0.00 ATOM 286 N HIS A 38 -13.744 -3.248 -1.455 1.00 0.00 ATOM 287 CA HIS A 38 -13.010 -4.505 -1.491 1.00 0.00 ATOM 288 C HIS A 38 -12.480 -4.894 -0.138 1.00 0.00 ATOM 289 O HIS A 38 -12.702 -4.211 0.850 1.00 0.00 ATOM 290 CB HIS A 38 -11.841 -4.432 -2.482 1.00 0.00 ATOM 291 CG HIS A 38 -12.260 -4.148 -3.890 1.00 0.00 ATOM 292 ND1 HIS A 38 -13.173 -4.932 -4.566 1.00 0.00 ATOM 293 CD2 HIS A 38 -11.940 -3.136 -4.728 1.00 0.00 ATOM 294 CE1 HIS A 38 -13.403 -4.409 -5.756 1.00 0.00 ATOM 295 NE2 HIS A 38 -12.668 -3.319 -5.879 1.00 0.00 ATOM 296 N THR A 39 -11.869 -6.067 -0.084 1.00 0.00 ATOM 297 CA THR A 39 -11.259 -6.529 1.142 1.00 0.00 ATOM 298 C THR A 39 -9.863 -5.925 1.094 1.00 0.00 ATOM 299 O THR A 39 -9.238 -5.868 0.027 1.00 0.00 ATOM 300 CB THR A 39 -11.154 -8.081 1.181 1.00 0.00 ATOM 301 OG1 THR A 39 -12.449 -8.637 1.411 1.00 0.00 ATOM 302 CG2 THR A 39 -10.218 -8.543 2.296 1.00 0.00 ATOM 303 N ILE A 40 -9.410 -5.393 2.225 1.00 0.00 ATOM 304 CA ILE A 40 -8.068 -4.826 2.301 1.00 0.00 ATOM 305 C ILE A 40 -7.246 -5.562 3.363 1.00 0.00 ATOM 306 O ILE A 40 -7.737 -5.844 4.452 1.00 0.00 ATOM 307 CB ILE A 40 -8.098 -3.308 2.591 1.00 0.00 ATOM 308 CG1 ILE A 40 -8.798 -3.031 3.911 1.00 0.00 ATOM 309 CG2 ILE A 40 -8.824 -2.573 1.463 1.00 0.00 ATOM 310 CD1 ILE A 40 -8.736 -1.604 4.296 1.00 0.00 ATOM 311 N VAL A 41 -6.025 -5.942 3.003 1.00 0.00 ATOM 312 CA VAL A 41 -5.128 -6.650 3.913 1.00 0.00 ATOM 313 C VAL A 41 -3.934 -5.778 4.331 1.00 0.00 ATOM 314 O VAL A 41 -3.319 -5.111 3.509 1.00 0.00 ATOM 315 CB VAL A 41 -4.654 -7.973 3.274 1.00 0.00 ATOM 316 CG1 VAL A 41 -3.593 -8.651 4.140 1.00 0.00 ATOM 317 CG2 VAL A 41 -5.835 -8.881 3.094 1.00 0.00 ATOM 318 N MET A 42 -3.626 -5.774 5.623 1.00 0.00 ATOM 319 CA MET A 42 -2.522 -4.979 6.127 1.00 0.00 ATOM 320 C MET A 42 -1.817 -5.675 7.293 1.00 0.00 ATOM 321 O MET A 42 -2.404 -6.524 7.968 1.00 0.00 ATOM 322 CB MET A 42 -3.051 -3.626 6.609 1.00 0.00 ATOM 323 CG MET A 42 -3.849 -3.719 7.916 1.00 0.00 ATOM 324 SD MET A 42 -4.709 -2.223 8.288 1.00 0.00 ATOM 325 CE MET A 42 -6.237 -2.544 7.404 1.00 0.00 ATOM 326 N GLY A 43 -0.551 -5.326 7.506 1.00 0.00 ATOM 327 CA GLY A 43 0.185 -5.871 8.631 1.00 0.00 ATOM 328 C GLY A 43 -0.224 -5.129 9.890 1.00 0.00 ATOM 329 O GLY A 43 -0.690 -3.997 9.826 1.00 0.00 ATOM 330 N ARG A 44 -0.031 -5.757 11.043 1.00 0.00 ATOM 331 CA ARG A 44 -0.402 -5.174 12.326 1.00 0.00 ATOM 332 C ARG A 44 0.132 -3.763 12.530 1.00 0.00 ATOM 333 O ARG A 44 -0.547 -2.894 13.077 1.00 0.00 ATOM 334 CB ARG A 44 0.074 -6.106 13.450 1.00 0.00 ATOM 335 CG ARG A 44 -0.524 -5.833 14.825 1.00 0.00 ATOM 336 CD ARG A 44 0.373 -4.957 15.655 1.00 0.00 ATOM 337 NE ARG A 44 1.670 -5.592 15.869 1.00 0.00 ATOM 338 CZ ARG A 44 2.760 -4.945 16.274 1.00 0.00 ATOM 339 NH1 ARG A 44 2.717 -3.642 16.513 1.00 0.00 ATOM 340 NH2 ARG A 44 3.899 -5.600 16.426 1.00 0.00 ATOM 341 N ARG A 45 1.361 -3.531 12.105 1.00 0.00 ATOM 342 CA ARG A 45 1.953 -2.214 12.262 1.00 0.00 ATOM 343 C ARG A 45 1.273 -1.156 11.412 1.00 0.00 ATOM 344 O ARG A 45 1.250 0.018 11.788 1.00 0.00 ATOM 345 CB ARG A 45 3.433 -2.250 11.946 1.00 0.00 ATOM 346 CG ARG A 45 4.264 -2.998 12.936 1.00 0.00 ATOM 347 CD ARG A 45 5.688 -2.749 12.567 1.00 0.00 ATOM 348 NE ARG A 45 6.623 -3.333 13.499 1.00 0.00 ATOM 349 CZ ARG A 45 7.877 -3.628 13.178 1.00 0.00 ATOM 350 NH1 ARG A 45 8.320 -3.384 11.948 1.00 0.00 ATOM 351 NH2 ARG A 45 8.685 -4.177 14.080 1.00 0.00 ATOM 352 N THR A 46 0.782 -1.540 10.236 1.00 0.00 ATOM 353 CA THR A 46 0.077 -0.582 9.390 1.00 0.00 ATOM 354 C THR A 46 -1.250 -0.245 10.080 1.00 0.00 ATOM 355 O THR A 46 -1.678 0.907 10.107 1.00 0.00 ATOM 356 CB THR A 46 -0.154 -1.140 7.971 1.00 0.00 ATOM 357 OG1 THR A 46 1.106 -1.230 7.298 1.00 0.00 ATOM 358 CG2 THR A 46 -1.048 -0.223 7.166 1.00 0.00 ATOM 359 N TRP A 47 -1.872 -1.256 10.679 1.00 0.00 ATOM 360 CA TRP A 47 -3.115 -1.055 11.402 1.00 0.00 ATOM 361 C TRP A 47 -2.878 -0.041 12.524 1.00 0.00 ATOM 362 O TRP A 47 -3.661 0.889 12.690 1.00 0.00 ATOM 363 CB TRP A 47 -3.612 -2.376 11.994 1.00 0.00 ATOM 364 CG TRP A 47 -4.765 -2.169 12.941 1.00 0.00 ATOM 365 CD1 TRP A 47 -4.698 -2.091 14.300 1.00 0.00 ATOM 366 CD2 TRP A 47 -6.158 -2.025 12.597 1.00 0.00 ATOM 367 NE1 TRP A 47 -5.957 -1.911 14.825 1.00 0.00 ATOM 368 CE2 TRP A 47 -6.871 -1.876 13.803 1.00 0.00 ATOM 369 CE3 TRP A 47 -6.873 -2.024 11.387 1.00 0.00 ATOM 370 CZ2 TRP A 47 -8.269 -1.728 13.839 1.00 0.00 ATOM 371 CZ3 TRP A 47 -8.268 -1.876 11.421 1.00 0.00 ATOM 372 CH2 TRP A 47 -8.944 -1.731 12.640 1.00 0.00 ATOM 373 N ASP A 48 -1.801 -0.233 13.294 1.00 0.00 ATOM 374 CA ASP A 48 -1.444 0.680 14.389 1.00 0.00 ATOM 375 C ASP A 48 -1.166 2.086 13.871 1.00 0.00 ATOM 376 O ASP A 48 -1.431 3.070 14.551 1.00 0.00 ATOM 377 CB ASP A 48 -0.210 0.176 15.141 1.00 0.00 ATOM 378 CG ASP A 48 -0.474 -1.104 15.924 1.00 0.00 ATOM 379 OD1 ASP A 48 0.508 -1.822 16.198 1.00 0.00 ATOM 380 OD2 ASP A 48 -1.640 -1.395 16.276 1.00 0.00 ATOM 381 N SER A 49 -0.650 2.164 12.649 1.00 0.00 ATOM 382 CA SER A 49 -0.326 3.424 11.995 1.00 0.00 ATOM 383 C SER A 49 -1.577 4.215 11.592 1.00 0.00 ATOM 384 O SER A 49 -1.538 5.435 11.460 1.00 0.00 ATOM 385 CB SER A 49 0.535 3.136 10.761 1.00 0.00 ATOM 386 OG SER A 49 1.005 4.326 10.156 1.00 0.00 ATOM 387 N LEU A 50 -2.687 3.524 11.373 1.00 0.00 ATOM 388 CA LEU A 50 -3.911 4.210 10.987 1.00 0.00 ATOM 389 C LEU A 50 -4.449 5.055 12.142 1.00 0.00 ATOM 390 O LEU A 50 -4.480 4.600 13.294 1.00 0.00 ATOM 391 CB LEU A 50 -4.985 3.201 10.565 1.00 0.00 ATOM 392 CG LEU A 50 -4.779 2.349 9.315 1.00 0.00 ATOM 393 CD1 LEU A 50 -5.925 1.369 9.172 1.00 0.00 ATOM 394 CD2 LEU A 50 -4.684 3.244 8.100 1.00 0.00 ATOM 395 N PRO A 51 -4.837 6.317 11.863 1.00 0.00 ATOM 396 CA PRO A 51 -5.379 7.165 12.932 1.00 0.00 ATOM 397 C PRO A 51 -6.633 6.473 13.484 1.00 0.00 ATOM 398 O PRO A 51 -7.413 5.888 12.723 1.00 0.00 ATOM 399 CB PRO A 51 -5.748 8.447 12.189 1.00 0.00 ATOM 400 CG PRO A 51 -4.734 8.504 11.088 1.00 0.00 ATOM 401 CD PRO A 51 -4.709 7.073 10.601 1.00 0.00 ATOM 402 N ALA A 52 -6.809 6.515 14.801 1.00 0.00 ATOM 403 CA ALA A 52 -7.959 5.886 15.450 1.00 0.00 ATOM 404 C ALA A 52 -9.321 6.300 14.895 1.00 0.00 ATOM 405 O ALA A 52 -10.250 5.496 14.841 1.00 0.00 ATOM 406 CB ALA A 52 -7.916 6.148 16.934 1.00 0.00 ATOM 407 N LYS A 53 -9.445 7.549 14.469 1.00 0.00 ATOM 408 CA LYS A 53 -10.711 8.026 13.938 1.00 0.00 ATOM 409 C LYS A 53 -11.013 7.506 12.543 1.00 0.00 ATOM 410 O LYS A 53 -12.160 7.531 12.119 1.00 0.00 ATOM 411 CB LYS A 53 -10.767 9.555 13.960 1.00 0.00 ATOM 412 CG LYS A 53 -9.831 10.241 12.993 1.00 0.00 ATOM 413 CD LYS A 53 -9.901 11.752 13.143 1.00 0.00 ATOM 414 CE LYS A 53 -9.174 12.463 11.995 1.00 0.00 ATOM 415 NZ LYS A 53 -7.769 11.964 11.782 1.00 0.00 ATOM 416 N VAL A 54 -9.999 7.024 11.830 1.00 0.00 ATOM 417 CA VAL A 54 -10.225 6.516 10.472 1.00 0.00 ATOM 418 C VAL A 54 -10.237 4.989 10.334 1.00 0.00 ATOM 419 O VAL A 54 -10.530 4.483 9.260 1.00 0.00 ATOM 420 CB VAL A 54 -9.221 7.125 9.416 1.00 0.00 ATOM 421 CG1 VAL A 54 -8.982 8.609 9.679 1.00 0.00 ATOM 422 CG2 VAL A 54 -7.902 6.364 9.385 1.00 0.00 ATOM 423 N ARG A 55 -9.949 4.256 11.409 1.00 0.00 ATOM 424 CA ARG A 55 -9.922 2.798 11.350 1.00 0.00 ATOM 425 C ARG A 55 -11.078 2.142 12.099 1.00 0.00 ATOM 426 O ARG A 55 -11.422 2.557 13.202 1.00 0.00 ATOM 427 CB ARG A 55 -8.614 2.275 11.917 1.00 0.00 ATOM 428 CG ARG A 55 -8.538 2.416 13.398 1.00 0.00 ATOM 429 CD ARG A 55 -7.536 1.488 13.973 1.00 0.00 ATOM 430 NE ARG A 55 -6.330 2.195 14.352 1.00 0.00 ATOM 431 CZ ARG A 55 -5.609 1.915 15.430 1.00 0.00 ATOM 432 NH1 ARG A 55 -5.975 0.939 16.245 1.00 0.00 ATOM 433 NH2 ARG A 55 -4.509 2.606 15.688 1.00 0.00 ATOM 434 N PRO A 56 -11.656 1.065 11.538 1.00 0.00 ATOM 435 CA PRO A 56 -11.284 0.452 10.263 1.00 0.00 ATOM 436 C PRO A 56 -11.656 1.357 9.102 1.00 0.00 ATOM 437 O PRO A 56 -12.540 2.198 9.230 1.00 0.00 ATOM 438 CB PRO A 56 -12.124 -0.819 10.250 1.00 0.00 ATOM 439 CG PRO A 56 -13.365 -0.389 10.950 1.00 0.00 ATOM 440 CD PRO A 56 -12.799 0.347 12.136 1.00 0.00 ATOM 441 N LEU A 57 -10.941 1.226 7.990 1.00 0.00 ATOM 442 CA LEU A 57 -11.234 2.025 6.813 1.00 0.00 ATOM 443 C LEU A 57 -12.651 1.688 6.367 1.00 0.00 ATOM 444 O LEU A 57 -12.974 0.516 6.137 1.00 0.00 ATOM 445 CB LEU A 57 -10.241 1.709 5.706 1.00 0.00 ATOM 446 CG LEU A 57 -8.825 2.091 6.091 1.00 0.00 ATOM 447 CD1 LEU A 57 -7.869 1.764 4.955 1.00 0.00 ATOM 448 CD2 LEU A 57 -8.806 3.584 6.403 1.00 0.00 ATOM 449 N PRO A 58 -13.518 2.714 6.246 1.00 0.00 ATOM 450 CA PRO A 58 -14.922 2.568 5.838 1.00 0.00 ATOM 451 C PRO A 58 -15.152 2.033 4.430 1.00 0.00 ATOM 452 O PRO A 58 -14.392 2.352 3.512 1.00 0.00 ATOM 453 CB PRO A 58 -15.466 3.998 5.978 1.00 0.00 ATOM 454 CG PRO A 58 -14.569 4.612 7.018 1.00 0.00 ATOM 455 CD PRO A 58 -13.221 4.116 6.581 1.00 0.00 ATOM 456 N GLY A 59 -16.188 1.207 4.273 1.00 0.00 ATOM 457 CA GLY A 59 -16.538 0.674 2.968 1.00 0.00 ATOM 458 C GLY A 59 -15.651 -0.430 2.449 1.00 0.00 ATOM 459 O GLY A 59 -15.702 -0.770 1.268 1.00 0.00 ATOM 460 N ARG A 60 -14.860 -1.013 3.339 1.00 0.00 ATOM 461 CA ARG A 60 -13.938 -2.072 2.967 1.00 0.00 ATOM 462 C ARG A 60 -13.843 -3.049 4.100 1.00 0.00 ATOM 463 O ARG A 60 -14.011 -2.674 5.247 1.00 0.00 ATOM 464 CB ARG A 60 -12.551 -1.477 2.704 1.00 0.00 ATOM 465 CG ARG A 60 -12.440 -0.769 1.375 1.00 0.00 ATOM 466 CD ARG A 60 -11.445 0.351 1.413 1.00 0.00 ATOM 467 NE ARG A 60 -11.917 1.462 2.234 1.00 0.00 ATOM 468 CZ ARG A 60 -11.303 2.637 2.340 1.00 0.00 ATOM 469 NH1 ARG A 60 -10.178 2.870 1.671 1.00 0.00 ATOM 470 NH2 ARG A 60 -11.817 3.574 3.122 1.00 0.00 ATOM 471 N ARG A 61 -13.609 -4.313 3.786 1.00 0.00 ATOM 472 CA ARG A 61 -13.460 -5.315 4.828 1.00 0.00 ATOM 473 C ARG A 61 -11.980 -5.276 5.234 1.00 0.00 ATOM 474 O ARG A 61 -11.101 -5.585 4.434 1.00 0.00 ATOM 475 CB ARG A 61 -13.856 -6.696 4.297 1.00 0.00 ATOM 476 CG ARG A 61 -13.758 -7.814 5.329 1.00 0.00 ATOM 477 CD ARG A 61 -14.137 -9.141 4.721 1.00 0.00 ATOM 478 NE ARG A 61 -14.057 -10.216 5.706 1.00 0.00 ATOM 479 CZ ARG A 61 -14.095 -11.514 5.414 1.00 0.00 ATOM 480 NH1 ARG A 61 -14.213 -11.916 4.156 1.00 0.00 ATOM 481 NH2 ARG A 61 -14.000 -12.418 6.383 1.00 0.00 ATOM 482 N ASN A 62 -11.709 -4.825 6.456 1.00 0.00 ATOM 483 CA ASN A 62 -10.345 -4.695 6.947 1.00 0.00 ATOM 484 C ASN A 62 -9.805 -5.974 7.522 1.00 0.00 ATOM 485 O ASN A 62 -10.383 -6.528 8.461 1.00 0.00 ATOM 486 CB ASN A 62 -10.275 -3.632 8.023 1.00 0.00 ATOM 487 CG ASN A 62 -10.497 -2.253 7.486 1.00 0.00 ATOM 488 OD1 ASN A 62 -11.431 -2.008 6.709 1.00 0.00 ATOM 489 ND2 ASN A 62 -9.667 -1.322 7.919 1.00 0.00 ATOM 490 N VAL A 63 -8.697 -6.450 6.962 1.00 0.00 ATOM 491 CA VAL A 63 -8.078 -7.681 7.446 1.00 0.00 ATOM 492 C VAL A 63 -6.675 -7.343 7.939 1.00 0.00 ATOM 493 O VAL A 63 -5.899 -6.733 7.214 1.00 0.00 ATOM 494 CB VAL A 63 -8.008 -8.772 6.342 1.00 0.00 ATOM 495 CG1 VAL A 63 -7.379 -10.058 6.901 1.00 0.00 ATOM 496 CG2 VAL A 63 -9.408 -9.082 5.804 1.00 0.00 ATOM 497 N VAL A 64 -6.374 -7.720 9.183 1.00 0.00 ATOM 498 CA VAL A 64 -5.079 -7.453 9.792 1.00 0.00 ATOM 499 C VAL A 64 -4.314 -8.740 10.085 1.00 0.00 ATOM 500 O VAL A 64 -4.818 -9.642 10.764 1.00 0.00 ATOM 501 CB VAL A 64 -5.248 -6.680 11.095 1.00 0.00 ATOM 502 CG1 VAL A 64 -3.896 -6.267 11.643 1.00 0.00 ATOM 503 CG2 VAL A 64 -6.118 -5.471 10.865 1.00 0.00 ATOM 504 N LEU A 65 -3.088 -8.814 9.576 1.00 0.00 ATOM 505 CA LEU A 65 -2.235 -9.976 9.750 1.00 0.00 ATOM 506 C LEU A 65 -1.404 -9.800 11.020 1.00 0.00 ATOM 507 O LEU A 65 -0.736 -8.778 11.183 1.00 0.00 ATOM 508 CB LEU A 65 -1.297 -10.071 8.552 1.00 0.00 ATOM 509 CG LEU A 65 -1.171 -11.348 7.738 1.00 0.00 ATOM 510 CD1 LEU A 65 0.089 -11.237 6.907 1.00 0.00 ATOM 511 CD2 LEU A 65 -1.058 -12.551 8.640 1.00 0.00 ATOM 512 N SER A 66 -1.443 -10.783 11.918 1.00 0.00 ATOM 513 CA SER A 66 -0.666 -10.726 13.156 1.00 0.00 ATOM 514 C SER A 66 -0.295 -12.122 13.638 1.00 0.00 ATOM 515 O SER A 66 -1.009 -13.086 13.377 1.00 0.00 ATOM 516 CB SER A 66 -1.451 -10.002 14.254 1.00 0.00 ATOM 517 OG SER A 66 -0.722 -9.979 15.473 1.00 0.00 ATOM 518 N ARG A 67 0.848 -12.245 14.300 1.00 0.00 ATOM 519 CA ARG A 67 1.250 -13.547 14.827 1.00 0.00 ATOM 520 C ARG A 67 0.671 -13.787 16.218 1.00 0.00 ATOM 521 O ARG A 67 0.778 -14.883 16.756 1.00 0.00 ATOM 522 CB ARG A 67 2.762 -13.694 14.858 1.00 0.00 ATOM 523 CG ARG A 67 3.361 -13.965 13.499 1.00 0.00 ATOM 524 CD ARG A 67 4.769 -14.535 13.631 1.00 0.00 ATOM 525 NE ARG A 67 5.415 -14.674 12.338 1.00 0.00 ATOM 526 CZ ARG A 67 5.989 -13.670 11.698 1.00 0.00 ATOM 527 NH1 ARG A 67 5.997 -12.459 12.240 1.00 0.00 ATOM 528 NH2 ARG A 67 6.532 -13.871 10.509 1.00 0.00 ATOM 529 N GLN A 68 0.096 -12.746 16.812 1.00 0.00 ATOM 530 CA GLN A 68 -0.523 -12.850 18.128 1.00 0.00 ATOM 531 C GLN A 68 -1.953 -13.346 17.908 1.00 0.00 ATOM 532 O GLN A 68 -2.752 -12.677 17.235 1.00 0.00 ATOM 533 CB GLN A 68 -0.576 -11.477 18.787 1.00 0.00 ATOM 534 CG GLN A 68 0.740 -10.734 18.790 1.00 0.00 ATOM 535 CD GLN A 68 0.580 -9.314 19.283 1.00 0.00 ATOM 536 OE1 GLN A 68 -0.143 -9.058 20.254 1.00 0.00 ATOM 537 NE2 GLN A 68 1.231 -8.375 18.605 1.00 0.00 ATOM 538 N ALA A 69 -2.282 -14.518 18.444 1.00 0.00 ATOM 539 CA ALA A 69 -3.633 -15.048 18.272 1.00 0.00 ATOM 540 C ALA A 69 -4.650 -14.208 19.042 1.00 0.00 ATOM 541 O ALA A 69 -5.828 -14.185 18.703 1.00 0.00 ATOM 542 CB ALA A 69 -3.694 -16.493 18.722 1.00 0.00 ATOM 543 N ASP A 70 -4.156 -13.463 20.027 1.00 0.00 ATOM 544 CA ASP A 70 -4.957 -12.602 20.899 1.00 0.00 ATOM 545 C ASP A 70 -5.062 -11.130 20.464 1.00 0.00 ATOM 546 O ASP A 70 -5.618 -10.317 21.204 1.00 0.00 ATOM 547 CB ASP A 70 -4.301 -12.595 22.278 1.00 0.00 ATOM 548 CG ASP A 70 -2.886 -11.993 22.239 1.00 0.00 ATOM 549 OD1 ASP A 70 -1.996 -12.610 21.596 1.00 0.00 ATOM 550 OD2 ASP A 70 -2.672 -10.889 22.809 1.00 0.00 ATOM 551 N PHE A 71 -4.484 -10.763 19.320 1.00 0.00 ATOM 552 CA PHE A 71 -4.517 -9.361 18.907 1.00 0.00 ATOM 553 C PHE A 71 -5.921 -8.788 18.767 1.00 0.00 ATOM 554 O PHE A 71 -6.803 -9.416 18.185 1.00 0.00 ATOM 555 CB PHE A 71 -3.692 -9.113 17.634 1.00 0.00 ATOM 556 CG PHE A 71 -3.423 -7.650 17.380 1.00 0.00 ATOM 557 CD1 PHE A 71 -2.673 -6.902 18.285 1.00 0.00 ATOM 558 CD2 PHE A 71 -3.980 -6.999 16.280 1.00 0.00 ATOM 559 CE1 PHE A 71 -2.489 -5.526 18.103 1.00 0.00 ATOM 560 CE2 PHE A 71 -3.803 -5.622 16.087 1.00 0.00 ATOM 561 CZ PHE A 71 -3.060 -4.886 17.000 1.00 0.00 ATOM 562 N MET A 72 -6.115 -7.596 19.332 1.00 0.00 ATOM 563 CA MET A 72 -7.402 -6.905 19.308 1.00 0.00 ATOM 564 C MET A 72 -7.413 -5.818 18.242 1.00 0.00 ATOM 565 O MET A 72 -6.597 -4.901 18.284 1.00 0.00 ATOM 566 CB MET A 72 -7.679 -6.246 20.670 1.00 0.00 ATOM 567 CG MET A 72 -7.254 -7.065 21.896 1.00 0.00 ATOM 568 SD MET A 72 -8.528 -8.140 22.645 1.00 0.00 ATOM 569 CE MET A 72 -8.880 -7.197 24.182 1.00 0.00 ATOM 570 N ALA A 73 -8.357 -5.901 17.309 1.00 0.00 ATOM 571 CA ALA A 73 -8.476 -4.908 16.247 1.00 0.00 ATOM 572 C ALA A 73 -9.953 -4.659 15.964 1.00 0.00 ATOM 573 O ALA A 73 -10.546 -5.334 15.137 1.00 0.00 ATOM 574 CB ALA A 73 -7.764 -5.397 14.986 1.00 0.00 ATOM 575 N SER A 74 -10.536 -3.677 16.646 1.00 0.00 ATOM 576 CA SER A 74 -11.952 -3.350 16.489 1.00 0.00 ATOM 577 C SER A 74 -12.408 -3.034 15.074 1.00 0.00 ATOM 578 O SER A 74 -11.904 -2.110 14.437 1.00 0.00 ATOM 579 CB SER A 74 -12.338 -2.195 17.415 1.00 0.00 ATOM 580 OG SER A 74 -12.160 -2.575 18.766 1.00 0.00 ATOM 581 N GLY A 75 -13.401 -3.781 14.605 1.00 0.00 ATOM 582 CA GLY A 75 -13.928 -3.561 13.270 1.00 0.00 ATOM 583 C GLY A 75 -13.099 -4.203 12.187 1.00 0.00 ATOM 584 O GLY A 75 -13.351 -3.987 11.009 1.00 0.00 ATOM 585 N ALA A 76 -12.100 -4.985 12.574 1.00 0.00 ATOM 586 CA ALA A 76 -11.255 -5.659 11.602 1.00 0.00 ATOM 587 C ALA A 76 -11.156 -7.136 11.898 1.00 0.00 ATOM 588 O ALA A 76 -11.456 -7.584 13.002 1.00 0.00 ATOM 589 CB ALA A 76 -9.874 -5.053 11.601 1.00 0.00 ATOM 590 N GLU A 77 -10.754 -7.895 10.889 1.00 0.00 ATOM 591 CA GLU A 77 -10.576 -9.328 11.025 1.00 0.00 ATOM 592 C GLU A 77 -9.089 -9.644 11.227 1.00 0.00 ATOM 593 O GLU A 77 -8.284 -9.400 10.337 1.00 0.00 ATOM 594 CB GLU A 77 -11.075 -10.031 9.761 1.00 0.00 ATOM 595 CG GLU A 77 -10.910 -11.532 9.809 1.00 0.00 ATOM 596 CD GLU A 77 -11.173 -12.201 8.489 1.00 0.00 ATOM 597 OE1 GLU A 77 -11.864 -13.240 8.480 1.00 0.00 ATOM 598 OE2 GLU A 77 -10.679 -11.698 7.459 1.00 0.00 ATOM 599 N VAL A 78 -8.727 -10.169 12.398 1.00 0.00 ATOM 600 CA VAL A 78 -7.336 -10.545 12.683 1.00 0.00 ATOM 601 C VAL A 78 -7.102 -11.997 12.277 1.00 0.00 ATOM 602 O VAL A 78 -7.868 -12.879 12.664 1.00 0.00 ATOM 603 CB VAL A 78 -6.974 -10.363 14.179 1.00 0.00 ATOM 604 CG1 VAL A 78 -5.564 -10.881 14.461 1.00 0.00 ATOM 605 CG2 VAL A 78 -7.055 -8.900 14.556 1.00 0.00 ATOM 606 N VAL A 79 -6.100 -12.217 11.423 1.00 0.00 ATOM 607 CA VAL A 79 -5.741 -13.550 10.951 1.00 0.00 ATOM 608 C VAL A 79 -4.259 -13.812 11.275 1.00 0.00 ATOM 609 O VAL A 79 -3.508 -12.875 11.535 1.00 0.00 ATOM 610 CB VAL A 79 -6.031 -13.718 9.430 1.00 0.00 ATOM 611 CG1 VAL A 79 -7.517 -13.536 9.164 1.00 0.00 ATOM 612 CG2 VAL A 79 -5.257 -12.709 8.616 1.00 0.00 ATOM 613 N GLY A 80 -3.850 -15.077 11.321 1.00 0.00 ATOM 614 CA GLY A 80 -2.464 -15.386 11.646 1.00 0.00 ATOM 615 C GLY A 80 -1.590 -15.801 10.478 1.00 0.00 ATOM 616 O GLY A 80 -0.383 -15.971 10.629 1.00 0.00 ATOM 617 N SER A 81 -2.181 -15.922 9.298 1.00 0.00 ATOM 618 CA SER A 81 -1.440 -16.337 8.120 1.00 0.00 ATOM 619 C SER A 81 -1.937 -15.606 6.890 1.00 0.00 ATOM 620 O SER A 81 -3.080 -15.138 6.856 1.00 0.00 ATOM 621 CB SER A 81 -1.613 -17.839 7.911 1.00 0.00 ATOM 622 OG SER A 81 -2.939 -18.151 7.497 1.00 0.00 ATOM 623 N LEU A 82 -1.098 -15.571 5.857 1.00 0.00 ATOM 624 CA LEU A 82 -1.438 -14.907 4.609 1.00 0.00 ATOM 625 C LEU A 82 -2.550 -15.645 3.878 1.00 0.00 ATOM 626 O LEU A 82 -3.398 -15.016 3.243 1.00 0.00 ATOM 627 CB LEU A 82 -0.217 -14.813 3.700 1.00 0.00 ATOM 628 CG LEU A 82 0.143 -13.496 3.001 1.00 0.00 ATOM 629 CD1 LEU A 82 0.510 -13.805 1.558 1.00 0.00 ATOM 630 CD2 LEU A 82 -0.985 -12.488 3.054 1.00 0.00 ATOM 631 N GLU A 83 -2.546 -16.973 3.965 1.00 0.00 ATOM 632 CA GLU A 83 -3.569 -17.786 3.304 1.00 0.00 ATOM 633 C GLU A 83 -4.973 -17.475 3.824 1.00 0.00 ATOM 634 O GLU A 83 -5.942 -17.546 3.077 1.00 0.00 ATOM 635 CB GLU A 83 -3.271 -19.283 3.458 1.00 0.00 ATOM 636 CG GLU A 83 -2.856 -19.700 4.872 1.00 0.00 ATOM 637 CD GLU A 83 -3.276 -21.131 5.243 1.00 0.00 ATOM 638 OE1 GLU A 83 -4.134 -21.708 4.526 1.00 0.00 ATOM 639 OE2 GLU A 83 -2.758 -21.669 6.259 1.00 0.00 ATOM 640 N GLU A 84 -5.075 -17.156 5.112 1.00 0.00 ATOM 641 CA GLU A 84 -6.358 -16.816 5.729 1.00 0.00 ATOM 642 C GLU A 84 -6.797 -15.392 5.350 1.00 0.00 ATOM 643 O GLU A 84 -7.980 -15.068 5.396 1.00 0.00 ATOM 644 CB GLU A 84 -6.267 -16.913 7.254 1.00 0.00 ATOM 645 CG GLU A 84 -6.098 -18.310 7.830 1.00 0.00 ATOM 646 CD GLU A 84 -5.602 -18.269 9.265 1.00 0.00 ATOM 647 OE1 GLU A 84 -6.149 -17.503 10.092 1.00 0.00 ATOM 648 OE2 GLU A 84 -4.637 -18.991 9.576 1.00 0.00 ATOM 649 N ALA A 85 -5.839 -14.545 4.991 1.00 0.00 ATOM 650 CA ALA A 85 -6.139 -13.168 4.618 1.00 0.00 ATOM 651 C ALA A 85 -6.518 -12.969 3.149 1.00 0.00 ATOM 652 O ALA A 85 -7.303 -12.087 2.829 1.00 0.00 ATOM 653 CB ALA A 85 -4.956 -12.282 4.972 1.00 0.00 ATOM 654 N LEU A 86 -5.994 -13.817 2.266 1.00 0.00 ATOM 655 CA LEU A 86 -6.232 -13.702 0.823 1.00 0.00 ATOM 656 C LEU A 86 -7.409 -14.446 0.199 1.00 0.00 ATOM 657 O LEU A 86 -7.500 -14.528 -1.027 1.00 0.00 ATOM 658 CB LEU A 86 -4.958 -14.093 0.079 1.00 0.00 ATOM 659 CG LEU A 86 -3.711 -13.324 0.510 1.00 0.00 ATOM 660 CD1 LEU A 86 -2.489 -13.923 -0.155 1.00 0.00 ATOM 661 CD2 LEU A 86 -3.849 -11.841 0.181 1.00 0.00 ATOM 662 N THR A 87 -8.341 -14.924 1.013 1.00 0.00 ATOM 663 CA THR A 87 -9.482 -15.685 0.496 1.00 0.00 ATOM 664 C THR A 87 -10.458 -14.963 -0.455 1.00 0.00 ATOM 665 O THR A 87 -11.192 -15.621 -1.196 1.00 0.00 ATOM 666 CB THR A 87 -10.261 -16.379 1.643 1.00 0.00 ATOM 667 OG1 THR A 87 -10.833 -15.388 2.498 1.00 0.00 ATOM 668 CG2 THR A 87 -9.328 -17.250 2.473 1.00 0.00 ATOM 669 N SER A 88 -10.469 -13.629 -0.460 1.00 0.00 ATOM 670 CA SER A 88 -11.369 -12.890 -1.358 1.00 0.00 ATOM 671 C SER A 88 -10.829 -12.829 -2.780 1.00 0.00 ATOM 672 O SER A 88 -9.619 -12.770 -2.989 1.00 0.00 ATOM 673 CB SER A 88 -11.582 -11.449 -0.879 1.00 0.00 ATOM 674 OG SER A 88 -12.191 -11.393 0.399 1.00 0.00 ATOM 675 N PRO A 89 -11.727 -12.838 -3.776 1.00 0.00 ATOM 676 CA PRO A 89 -11.437 -12.774 -5.217 1.00 0.00 ATOM 677 C PRO A 89 -10.666 -11.491 -5.598 1.00 0.00 ATOM 678 O PRO A 89 -9.812 -11.506 -6.489 1.00 0.00 ATOM 679 CB PRO A 89 -12.835 -12.798 -5.841 1.00 0.00 ATOM 680 CG PRO A 89 -13.581 -13.678 -4.903 1.00 0.00 ATOM 681 CD PRO A 89 -13.154 -13.133 -3.556 1.00 0.00 ATOM 682 N GLU A 90 -11.030 -10.367 -4.991 1.00 0.00 ATOM 683 CA GLU A 90 -10.314 -9.133 -5.244 1.00 0.00 ATOM 684 C GLU A 90 -9.851 -8.588 -3.895 1.00 0.00 ATOM 685 O GLU A 90 -10.646 -8.095 -3.098 1.00 0.00 ATOM 686 CB GLU A 90 -11.158 -8.111 -6.018 1.00 0.00 ATOM 687 CG GLU A 90 -10.470 -6.737 -6.112 1.00 0.00 ATOM 688 CD GLU A 90 -10.793 -5.940 -7.369 1.00 0.00 ATOM 689 OE1 GLU A 90 -10.209 -4.841 -7.532 1.00 0.00 ATOM 690 OE2 GLU A 90 -11.613 -6.404 -8.191 1.00 0.00 ATOM 691 N THR A 91 -8.562 -8.749 -3.620 1.00 0.00 ATOM 692 CA THR A 91 -7.987 -8.290 -2.363 1.00 0.00 ATOM 693 C THR A 91 -6.901 -7.250 -2.603 1.00 0.00 ATOM 694 O THR A 91 -6.103 -7.375 -3.525 1.00 0.00 ATOM 695 CB THR A 91 -7.353 -9.470 -1.583 1.00 0.00 ATOM 696 OG1 THR A 91 -8.350 -10.453 -1.285 1.00 0.00 ATOM 697 CG2 THR A 91 -6.709 -8.984 -0.290 1.00 0.00 ATOM 698 N TRP A 92 -6.887 -6.203 -1.798 1.00 0.00 ATOM 699 CA TRP A 92 -5.841 -5.209 -1.935 1.00 0.00 ATOM 700 C TRP A 92 -4.993 -5.189 -0.688 1.00 0.00 ATOM 701 O TRP A 92 -5.511 -5.080 0.428 1.00 0.00 ATOM 702 CB TRP A 92 -6.406 -3.819 -2.239 1.00 0.00 ATOM 703 CG TRP A 92 -6.840 -3.700 -3.688 1.00 0.00 ATOM 704 CD1 TRP A 92 -8.097 -3.925 -4.200 1.00 0.00 ATOM 705 CD2 TRP A 92 -5.997 -3.415 -4.813 1.00 0.00 ATOM 706 NE1 TRP A 92 -8.075 -3.807 -5.572 1.00 0.00 ATOM 707 CE2 TRP A 92 -6.801 -3.494 -5.971 1.00 0.00 ATOM 708 CE3 TRP A 92 -4.640 -3.109 -4.952 1.00 0.00 ATOM 709 CZ2 TRP A 92 -6.288 -3.275 -7.249 1.00 0.00 ATOM 710 CZ3 TRP A 92 -4.131 -2.895 -6.222 1.00 0.00 ATOM 711 CH2 TRP A 92 -4.953 -2.980 -7.353 1.00 0.00 ATOM 712 N VAL A 93 -3.696 -5.403 -0.880 1.00 0.00 ATOM 713 CA VAL A 93 -2.737 -5.390 0.215 1.00 0.00 ATOM 714 C VAL A 93 -2.320 -3.918 0.328 1.00 0.00 ATOM 715 O VAL A 93 -1.733 -3.341 -0.589 1.00 0.00 ATOM 716 CB VAL A 93 -1.543 -6.356 -0.088 1.00 0.00 ATOM 717 CG1 VAL A 93 -0.453 -6.231 0.981 1.00 0.00 ATOM 718 CG2 VAL A 93 -2.067 -7.819 -0.149 1.00 0.00 ATOM 719 N ILE A 94 -2.705 -3.297 1.434 1.00 0.00 ATOM 720 CA ILE A 94 -2.450 -1.881 1.632 1.00 0.00 ATOM 721 C ILE A 94 -1.280 -1.565 2.511 1.00 0.00 ATOM 722 O ILE A 94 -1.079 -0.421 2.920 1.00 0.00 ATOM 723 CB ILE A 94 -3.680 -1.159 2.190 1.00 0.00 ATOM 724 CG1 ILE A 94 -3.939 -1.571 3.636 1.00 0.00 ATOM 725 CG2 ILE A 94 -4.881 -1.488 1.344 1.00 0.00 ATOM 726 CD1 ILE A 94 -4.702 -0.520 4.417 1.00 0.00 ATOM 727 N GLY A 95 -0.506 -2.567 2.848 1.00 0.00 ATOM 728 CA GLY A 95 0.590 -2.201 3.664 1.00 0.00 ATOM 729 C GLY A 95 1.327 -3.110 4.559 1.00 0.00 ATOM 730 O GLY A 95 0.788 -3.999 5.215 1.00 0.00 ATOM 731 N GLY A 96 2.465 -2.477 4.818 1.00 0.00 ATOM 732 CA GLY A 96 3.544 -2.934 5.611 1.00 0.00 ATOM 733 C GLY A 96 4.637 -3.260 4.622 1.00 0.00 ATOM 734 O GLY A 96 4.343 -3.849 3.585 1.00 0.00 ATOM 735 N GLY A 97 5.862 -2.815 4.875 1.00 0.00 ATOM 736 CA GLY A 97 6.939 -3.206 3.996 1.00 0.00 ATOM 737 C GLY A 97 7.032 -4.728 4.096 1.00 0.00 ATOM 738 O GLY A 97 7.251 -5.417 3.097 1.00 0.00 ATOM 739 N GLN A 98 6.803 -5.276 5.286 1.00 0.00 ATOM 740 CA GLN A 98 6.843 -6.731 5.475 1.00 0.00 ATOM 741 C GLN A 98 5.736 -7.460 4.721 1.00 0.00 ATOM 742 O GLN A 98 5.980 -8.455 4.028 1.00 0.00 ATOM 743 CB GLN A 98 6.720 -7.107 6.947 1.00 0.00 ATOM 744 CG GLN A 98 7.919 -6.744 7.793 1.00 0.00 ATOM 745 CD GLN A 98 7.688 -7.009 9.261 1.00 0.00 ATOM 746 OE1 GLN A 98 7.983 -6.160 10.118 1.00 0.00 ATOM 747 NE2 GLN A 98 7.154 -8.189 9.569 1.00 0.00 ATOM 748 N VAL A 99 4.514 -6.979 4.871 1.00 0.00 ATOM 749 CA VAL A 99 3.395 -7.616 4.214 1.00 0.00 ATOM 750 C VAL A 99 3.432 -7.530 2.696 1.00 0.00 ATOM 751 O VAL A 99 2.984 -8.459 2.027 1.00 0.00 ATOM 752 CB VAL A 99 2.065 -7.123 4.799 1.00 0.00 ATOM 753 CG1 VAL A 99 0.892 -7.760 4.092 1.00 0.00 ATOM 754 CG2 VAL A 99 2.009 -7.497 6.266 1.00 0.00 ATOM 755 N TYR A 100 3.999 -6.461 2.141 1.00 0.00 ATOM 756 CA TYR A 100 4.101 -6.343 0.682 1.00 0.00 ATOM 757 C TYR A 100 5.042 -7.428 0.165 1.00 0.00 ATOM 758 O TYR A 100 4.808 -8.021 -0.890 1.00 0.00 ATOM 759 CB TYR A 100 4.669 -4.981 0.248 1.00 0.00 ATOM 760 CG TYR A 100 3.735 -3.785 0.367 1.00 0.00 ATOM 761 CD1 TYR A 100 4.187 -2.597 0.943 1.00 0.00 ATOM 762 CD2 TYR A 100 2.416 -3.836 -0.096 1.00 0.00 ATOM 763 CE1 TYR A 100 3.355 -1.488 1.058 1.00 0.00 ATOM 764 CE2 TYR A 100 1.576 -2.731 0.015 1.00 0.00 ATOM 765 CZ TYR A 100 2.060 -1.555 0.596 1.00 0.00 ATOM 766 OH TYR A 100 1.275 -0.423 0.714 1.00 0.00 ATOM 767 N ALA A 101 6.131 -7.657 0.895 1.00 0.00 ATOM 768 CA ALA A 101 7.120 -8.670 0.520 1.00 0.00 ATOM 769 C ALA A 101 6.498 -10.049 0.572 1.00 0.00 ATOM 770 O ALA A 101 6.722 -10.887 -0.299 1.00 0.00 ATOM 771 CB ALA A 101 8.287 -8.616 1.471 1.00 0.00 ATOM 772 N LEU A 102 5.715 -10.268 1.617 1.00 0.00 ATOM 773 CA LEU A 102 5.028 -11.521 1.854 1.00 0.00 ATOM 774 C LEU A 102 3.987 -11.820 0.768 1.00 0.00 ATOM 775 O LEU A 102 3.904 -12.945 0.259 1.00 0.00 ATOM 776 CB LEU A 102 4.338 -11.419 3.215 1.00 0.00 ATOM 777 CG LEU A 102 3.989 -12.625 4.091 1.00 0.00 ATOM 778 CD1 LEU A 102 5.269 -13.374 4.514 1.00 0.00 ATOM 779 CD2 LEU A 102 3.237 -12.115 5.335 1.00 0.00 ATOM 780 N ALA A 103 3.219 -10.800 0.390 1.00 0.00 ATOM 781 CA ALA A 103 2.151 -10.947 -0.595 1.00 0.00 ATOM 782 C ALA A 103 2.513 -10.774 -2.066 1.00 0.00 ATOM 783 O ALA A 103 1.741 -11.163 -2.933 1.00 0.00 ATOM 784 CB ALA A 103 1.011 -10.008 -0.236 1.00 0.00 ATOM 785 N LEU A 104 3.670 -10.189 -2.357 1.00 0.00 ATOM 786 CA LEU A 104 4.079 -9.957 -3.740 1.00 0.00 ATOM 787 C LEU A 104 3.924 -11.172 -4.652 1.00 0.00 ATOM 788 O LEU A 104 3.342 -11.054 -5.736 1.00 0.00 ATOM 789 CB LEU A 104 5.526 -9.475 -3.793 1.00 0.00 ATOM 790 CG LEU A 104 6.030 -8.441 -4.803 1.00 0.00 ATOM 791 CD1 LEU A 104 7.479 -8.762 -5.100 1.00 0.00 ATOM 792 CD2 LEU A 104 5.251 -8.430 -6.068 1.00 0.00 ATOM 793 N PRO A 105 4.418 -12.364 -4.229 1.00 0.00 ATOM 794 CA PRO A 105 4.253 -13.497 -5.148 1.00 0.00 ATOM 795 C PRO A 105 2.818 -13.896 -5.522 1.00 0.00 ATOM 796 O PRO A 105 2.592 -14.447 -6.584 1.00 0.00 ATOM 797 CB PRO A 105 5.071 -14.619 -4.491 1.00 0.00 ATOM 798 CG PRO A 105 5.286 -14.202 -3.104 1.00 0.00 ATOM 799 CD PRO A 105 5.311 -12.709 -3.106 1.00 0.00 ATOM 800 N TYR A 106 1.846 -13.533 -4.692 1.00 0.00 ATOM 801 CA TYR A 106 0.444 -13.847 -4.938 1.00 0.00 ATOM 802 C TYR A 106 -0.211 -12.772 -5.786 1.00 0.00 ATOM 803 O TYR A 106 -1.327 -12.951 -6.260 1.00 0.00 ATOM 804 CB TYR A 106 -0.313 -13.921 -3.609 1.00 0.00 ATOM 805 CG TYR A 106 0.192 -14.985 -2.686 1.00 0.00 ATOM 806 CD1 TYR A 106 1.329 -14.779 -1.894 1.00 0.00 ATOM 807 CD2 TYR A 106 -0.403 -16.245 -2.674 1.00 0.00 ATOM 808 CE1 TYR A 106 1.870 -15.828 -1.121 1.00 0.00 ATOM 809 CE2 TYR A 106 0.128 -17.292 -1.912 1.00 0.00 ATOM 810 CZ TYR A 106 1.263 -17.084 -1.149 1.00 0.00 ATOM 811 OH TYR A 106 1.816 -18.160 -0.486 1.00 0.00 ATOM 812 N ALA A 107 0.501 -11.667 -5.984 1.00 0.00 ATOM 813 CA ALA A 107 -0.020 -10.522 -6.724 1.00 0.00 ATOM 814 C ALA A 107 0.081 -10.514 -8.251 1.00 0.00 ATOM 815 O ALA A 107 1.050 -10.992 -8.828 1.00 0.00 ATOM 816 CB ALA A 107 0.604 -9.242 -6.167 1.00 0.00 ATOM 817 N THR A 108 -0.934 -9.936 -8.886 1.00 0.00 ATOM 818 CA THR A 108 -0.972 -9.789 -10.332 1.00 0.00 ATOM 819 C THR A 108 -1.245 -8.342 -10.703 1.00 0.00 ATOM 820 O THR A 108 -1.366 -8.020 -11.876 1.00 0.00 ATOM 821 CB THR A 108 -2.020 -10.685 -10.989 1.00 0.00 ATOM 822 OG1 THR A 108 -3.235 -10.632 -10.243 1.00 0.00 ATOM 823 CG2 THR A 108 -1.516 -12.129 -11.047 1.00 0.00 ATOM 824 N ARG A 109 -1.342 -7.471 -9.701 1.00 0.00 ATOM 825 CA ARG A 109 -1.564 -6.034 -9.912 1.00 0.00 ATOM 826 C ARG A 109 -0.864 -5.196 -8.845 1.00 0.00 ATOM 827 O ARG A 109 -0.805 -5.584 -7.677 1.00 0.00 ATOM 828 CB ARG A 109 -3.063 -5.674 -9.881 1.00 0.00 ATOM 829 CG ARG A 109 -3.816 -5.918 -11.163 1.00 0.00 ATOM 830 CD ARG A 109 -5.182 -5.266 -11.109 1.00 0.00 ATOM 831 NE ARG A 109 -5.137 -3.799 -11.111 1.00 0.00 ATOM 832 CZ ARG A 109 -6.198 -3.011 -10.913 1.00 0.00 ATOM 833 NH1 ARG A 109 -7.406 -3.532 -10.703 1.00 0.00 ATOM 834 NH2 ARG A 109 -6.042 -1.698 -10.848 1.00 0.00 ATOM 835 N CYS A 110 -0.318 -4.054 -9.260 1.00 0.00 ATOM 836 CA CYS A 110 0.324 -3.116 -8.344 1.00 0.00 ATOM 837 C CYS A 110 -0.106 -1.728 -8.763 1.00 0.00 ATOM 838 O CYS A 110 -0.067 -1.409 -9.940 1.00 0.00 ATOM 839 CB CYS A 110 1.845 -3.188 -8.421 1.00 0.00 ATOM 840 SG CYS A 110 2.590 -4.558 -7.552 1.00 0.00 ATOM 841 N GLU A 111 -0.565 -0.926 -7.810 1.00 0.00 ATOM 842 CA GLU A 111 -0.968 0.459 -8.070 1.00 0.00 ATOM 843 C GLU A 111 -0.006 1.265 -7.226 1.00 0.00 ATOM 844 O GLU A 111 -0.045 1.236 -5.995 1.00 0.00 ATOM 845 CB GLU A 111 -2.420 0.707 -7.663 1.00 0.00 ATOM 846 CG GLU A 111 -3.431 0.052 -8.596 1.00 0.00 ATOM 847 CD GLU A 111 -3.371 0.585 -10.039 1.00 0.00 ATOM 848 OE1 GLU A 111 -2.892 1.719 -10.252 1.00 0.00 ATOM 849 OE2 GLU A 111 -3.815 -0.132 -10.960 1.00 0.00 ATOM 850 N VAL A 112 0.886 1.964 -7.910 1.00 0.00 ATOM 851 CA VAL A 112 1.950 2.703 -7.257 1.00 0.00 ATOM 852 C VAL A 112 1.936 4.199 -7.480 1.00 0.00 ATOM 853 O VAL A 112 1.686 4.675 -8.588 1.00 0.00 ATOM 854 CB VAL A 112 3.320 2.173 -7.757 1.00 0.00 ATOM 855 CG1 VAL A 112 4.485 2.886 -7.050 1.00 0.00 ATOM 856 CG2 VAL A 112 3.397 0.645 -7.589 1.00 0.00 ATOM 857 N THR A 113 2.250 4.933 -6.421 1.00 0.00 ATOM 858 CA THR A 113 2.326 6.382 -6.494 1.00 0.00 ATOM 859 C THR A 113 3.775 6.733 -6.215 1.00 0.00 ATOM 860 O THR A 113 4.294 6.386 -5.157 1.00 0.00 ATOM 861 CB THR A 113 1.450 7.040 -5.415 1.00 0.00 ATOM 862 OG1 THR A 113 0.076 6.739 -5.670 1.00 0.00 ATOM 863 CG2 THR A 113 1.653 8.558 -5.396 1.00 0.00 ATOM 864 N GLU A 114 4.460 7.349 -7.178 1.00 0.00 ATOM 865 CA GLU A 114 5.842 7.752 -6.930 1.00 0.00 ATOM 866 C GLU A 114 5.846 9.221 -6.507 1.00 0.00 ATOM 867 O GLU A 114 5.254 10.064 -7.189 1.00 0.00 ATOM 868 CB GLU A 114 6.712 7.585 -8.166 1.00 0.00 ATOM 869 CG GLU A 114 8.168 7.951 -7.888 1.00 0.00 ATOM 870 CD GLU A 114 9.042 8.012 -9.134 1.00 0.00 ATOM 871 OE1 GLU A 114 8.547 7.750 -10.250 1.00 0.00 ATOM 872 OE2 GLU A 114 10.242 8.332 -8.995 1.00 0.00 ATOM 873 N VAL A 115 6.474 9.505 -5.365 1.00 0.00 ATOM 874 CA VAL A 115 6.584 10.855 -4.828 1.00 0.00 ATOM 875 C VAL A 115 8.000 11.383 -5.091 1.00 0.00 ATOM 876 O VAL A 115 8.995 10.803 -4.650 1.00 0.00 ATOM 877 CB VAL A 115 6.260 10.879 -3.330 1.00 0.00 ATOM 878 CG1 VAL A 115 6.280 12.310 -2.791 1.00 0.00 ATOM 879 CG2 VAL A 115 4.902 10.273 -3.105 1.00 0.00 ATOM 880 N ASP A 116 8.076 12.467 -5.858 1.00 0.00 ATOM 881 CA ASP A 116 9.348 13.079 -6.221 1.00 0.00 ATOM 882 C ASP A 116 9.914 13.906 -5.065 1.00 0.00 ATOM 883 O ASP A 116 9.948 15.137 -5.109 1.00 0.00 ATOM 884 CB ASP A 116 9.147 13.935 -7.472 1.00 0.00 ATOM 885 CG ASP A 116 10.450 14.425 -8.082 1.00 0.00 ATOM 886 OD1 ASP A 116 11.541 14.097 -7.581 1.00 0.00 ATOM 887 OD2 ASP A 116 10.378 15.162 -9.082 1.00 0.00 ATOM 888 N ILE A 117 10.376 13.207 -4.034 1.00 0.00 ATOM 889 CA ILE A 117 10.947 13.838 -2.850 1.00 0.00 ATOM 890 C ILE A 117 12.326 13.221 -2.584 1.00 0.00 ATOM 891 O ILE A 117 12.537 12.035 -2.846 1.00 0.00 ATOM 892 CB ILE A 117 10.022 13.615 -1.631 1.00 0.00 ATOM 893 CG1 ILE A 117 10.591 14.288 -0.386 1.00 0.00 ATOM 894 CG2 ILE A 117 9.804 12.105 -1.380 1.00 0.00 ATOM 895 CD1 ILE A 117 9.731 14.076 0.851 1.00 0.00 ATOM 896 N GLY A 118 13.274 14.044 -2.142 1.00 0.00 ATOM 897 CA GLY A 118 14.614 13.557 -1.840 1.00 0.00 ATOM 898 C GLY A 118 14.573 12.932 -0.468 1.00 0.00 ATOM 899 O GLY A 118 14.466 13.631 0.533 1.00 0.00 ATOM 900 N LEU A 119 14.680 11.611 -0.414 1.00 0.00 ATOM 901 CA LEU A 119 14.581 10.903 0.856 1.00 0.00 ATOM 902 C LEU A 119 15.355 9.590 0.793 1.00 0.00 ATOM 903 O LEU A 119 14.763 8.521 0.684 1.00 0.00 ATOM 904 CB LEU A 119 13.096 10.615 1.122 1.00 0.00 ATOM 905 CG LEU A 119 12.531 10.508 2.535 1.00 0.00 ATOM 906 CD1 LEU A 119 12.711 11.837 3.243 1.00 0.00 ATOM 907 CD2 LEU A 119 11.053 10.139 2.455 1.00 0.00 ATOM 908 N PRO A 120 16.693 9.657 0.840 1.00 0.00 ATOM 909 CA PRO A 120 17.548 8.461 0.788 1.00 0.00 ATOM 910 C PRO A 120 17.163 7.443 1.864 1.00 0.00 ATOM 911 O PRO A 120 16.686 7.823 2.940 1.00 0.00 ATOM 912 CB PRO A 120 18.941 9.040 1.040 1.00 0.00 ATOM 913 CG PRO A 120 18.851 10.414 0.431 1.00 0.00 ATOM 914 CD PRO A 120 17.504 10.885 0.924 1.00 0.00 ATOM 915 N ARG A 121 17.358 6.157 1.577 1.00 0.00 ATOM 916 CA ARG A 121 17.019 5.108 2.537 1.00 0.00 ATOM 917 C ARG A 121 17.898 5.226 3.759 1.00 0.00 ATOM 918 O ARG A 121 19.066 5.586 3.661 1.00 0.00 ATOM 919 CB ARG A 121 17.255 3.702 1.973 1.00 0.00 ATOM 920 CG ARG A 121 16.642 3.391 0.625 1.00 0.00 ATOM 921 CD ARG A 121 17.323 2.150 0.014 1.00 0.00 ATOM 922 NE ARG A 121 17.316 2.135 -1.453 1.00 0.00 ATOM 923 CZ ARG A 121 17.717 3.145 -2.236 1.00 0.00 ATOM 924 NH1 ARG A 121 18.167 4.289 -1.717 1.00 0.00 ATOM 925 NH2 ARG A 121 17.674 3.011 -3.558 1.00 0.00 ATOM 926 N GLU A 122 17.322 4.896 4.904 1.00 0.00 ATOM 927 CA GLU A 122 18.017 4.887 6.173 1.00 0.00 ATOM 928 C GLU A 122 17.719 3.524 6.771 1.00 0.00 ATOM 929 O GLU A 122 16.665 2.952 6.515 1.00 0.00 ATOM 930 CB GLU A 122 17.499 5.996 7.080 1.00 0.00 ATOM 931 CG GLU A 122 18.024 7.358 6.694 1.00 0.00 ATOM 932 CD GLU A 122 17.303 8.496 7.380 1.00 0.00 ATOM 933 OE1 GLU A 122 17.475 9.642 6.927 1.00 0.00 ATOM 934 OE2 GLU A 122 16.552 8.264 8.350 1.00 0.00 ATOM 935 N ALA A 123 18.659 2.988 7.539 1.00 0.00 ATOM 936 CA ALA A 123 18.494 1.682 8.160 1.00 0.00 ATOM 937 C ALA A 123 17.209 1.614 8.962 1.00 0.00 ATOM 938 O ALA A 123 16.914 2.516 9.738 1.00 0.00 ATOM 939 CB ALA A 123 19.660 1.393 9.060 1.00 0.00 ATOM 940 N GLY A 124 16.431 0.561 8.756 1.00 0.00 ATOM 941 CA GLY A 124 15.198 0.425 9.505 1.00 0.00 ATOM 942 C GLY A 124 13.936 0.962 8.866 1.00 0.00 ATOM 943 O GLY A 124 12.855 0.763 9.414 1.00 0.00 ATOM 944 N ASP A 125 14.056 1.632 7.721 1.00 0.00 ATOM 945 CA ASP A 125 12.905 2.200 7.006 1.00 0.00 ATOM 946 C ASP A 125 12.052 1.107 6.406 1.00 0.00 ATOM 947 O ASP A 125 12.560 0.040 6.085 1.00 0.00 ATOM 948 CB ASP A 125 13.369 3.032 5.802 1.00 0.00 ATOM 949 CG ASP A 125 13.855 4.413 6.174 1.00 0.00 ATOM 950 OD1 ASP A 125 13.781 4.828 7.345 1.00 0.00 ATOM 951 OD2 ASP A 125 14.319 5.093 5.250 1.00 0.00 ATOM 952 N ALA A 126 10.768 1.386 6.212 1.00 0.00 ATOM 953 CA ALA A 126 9.892 0.429 5.548 1.00 0.00 ATOM 954 C ALA A 126 10.125 0.742 4.061 1.00 0.00 ATOM 955 O ALA A 126 10.179 1.916 3.663 1.00 0.00 ATOM 956 CB ALA A 126 8.433 0.666 5.936 1.00 0.00 ATOM 957 N LEU A 127 10.343 -0.297 3.260 1.00 0.00 ATOM 958 CA LEU A 127 10.599 -0.117 1.842 1.00 0.00 ATOM 959 C LEU A 127 9.588 -0.810 0.976 1.00 0.00 ATOM 960 O LEU A 127 9.004 -1.815 1.354 1.00 0.00 ATOM 961 CB LEU A 127 11.983 -0.653 1.477 1.00 0.00 ATOM 962 CG LEU A 127 13.172 -0.072 2.242 1.00 0.00 ATOM 963 CD1 LEU A 127 14.415 -0.859 1.917 1.00 0.00 ATOM 964 CD2 LEU A 127 13.344 1.382 1.878 1.00 0.00 ATOM 965 N ALA A 128 9.429 -0.283 -0.226 1.00 0.00 ATOM 966 CA ALA A 128 8.505 -0.830 -1.206 1.00 0.00 ATOM 967 C ALA A 128 9.127 -2.073 -1.844 1.00 0.00 ATOM 968 O ALA A 128 10.356 -2.229 -1.851 1.00 0.00 ATOM 969 CB ALA A 128 8.241 0.212 -2.268 1.00 0.00 ATOM 970 N PRO A 129 8.292 -3.006 -2.333 1.00 0.00 ATOM 971 CA PRO A 129 8.858 -4.202 -2.959 1.00 0.00 ATOM 972 C PRO A 129 9.407 -3.832 -4.339 1.00 0.00 ATOM 973 O PRO A 129 8.961 -2.857 -4.947 1.00 0.00 ATOM 974 CB PRO A 129 7.649 -5.130 -3.055 1.00 0.00 ATOM 975 CG PRO A 129 6.516 -4.183 -3.247 1.00 0.00 ATOM 976 CD PRO A 129 6.823 -3.096 -2.252 1.00 0.00 ATOM 977 N VAL A 130 10.433 -4.552 -4.795 1.00 0.00 ATOM 978 CA VAL A 130 11.017 -4.279 -6.108 1.00 0.00 ATOM 979 C VAL A 130 10.292 -5.126 -7.140 1.00 0.00 ATOM 980 O VAL A 130 10.098 -6.319 -6.932 1.00 0.00 ATOM 981 CB VAL A 130 12.525 -4.613 -6.169 1.00 0.00 ATOM 982 CG1 VAL A 130 13.093 -4.182 -7.525 1.00 0.00 ATOM 983 CG2 VAL A 130 13.273 -3.896 -5.048 1.00 0.00 ATOM 984 N LEU A 131 9.849 -4.489 -8.219 1.00 0.00 ATOM 985 CA LEU A 131 9.134 -5.182 -9.277 1.00 0.00 ATOM 986 C LEU A 131 10.103 -5.605 -10.373 1.00 0.00 ATOM 987 O LEU A 131 10.759 -4.772 -11.000 1.00 0.00 ATOM 988 CB LEU A 131 8.019 -4.297 -9.842 1.00 0.00 ATOM 989 CG LEU A 131 7.028 -3.761 -8.800 1.00 0.00 ATOM 990 CD1 LEU A 131 5.901 -3.052 -9.496 1.00 0.00 ATOM 991 CD2 LEU A 131 6.488 -4.882 -7.946 1.00 0.00 ATOM 992 N ASP A 132 10.242 -6.914 -10.544 1.00 0.00 ATOM 993 CA ASP A 132 11.139 -7.447 -11.556 1.00 0.00 ATOM 994 C ASP A 132 10.514 -7.379 -12.950 1.00 0.00 ATOM 995 O ASP A 132 9.450 -6.783 -13.132 1.00 0.00 ATOM 996 CB ASP A 132 11.580 -8.867 -11.194 1.00 0.00 ATOM 997 CG ASP A 132 10.433 -9.865 -11.181 1.00 0.00 ATOM 998 OD1 ASP A 132 10.629 -10.970 -10.635 1.00 0.00 ATOM 999 OD2 ASP A 132 9.343 -9.576 -11.717 1.00 0.00 ATOM 1000 N GLU A 133 11.137 -8.042 -13.920 1.00 0.00 ATOM 1001 CA GLU A 133 10.622 -7.982 -15.272 1.00 0.00 ATOM 1002 C GLU A 133 9.421 -8.837 -15.618 1.00 0.00 ATOM 1003 O GLU A 133 9.065 -8.926 -16.783 1.00 0.00 ATOM 1004 CB GLU A 133 11.740 -8.134 -16.304 1.00 0.00 ATOM 1005 CG GLU A 133 11.960 -6.869 -17.171 1.00 0.00 ATOM 1006 CD GLU A 133 10.889 -6.672 -18.276 1.00 0.00 ATOM 1007 OE1 GLU A 133 9.817 -6.067 -17.993 1.00 0.00 ATOM 1008 OE2 GLU A 133 11.128 -7.114 -19.436 1.00 0.00 ATOM 1009 N THR A 134 8.775 -9.446 -14.623 1.00 0.00 ATOM 1010 CA THR A 134 7.565 -10.228 -14.898 1.00 0.00 ATOM 1011 C THR A 134 6.405 -9.236 -15.006 1.00 0.00 ATOM 1012 O THR A 134 5.350 -9.541 -15.569 1.00 0.00 ATOM 1013 CB THR A 134 7.241 -11.272 -13.784 1.00 0.00 ATOM 1014 OG1 THR A 134 7.174 -10.640 -12.496 1.00 0.00 ATOM 1015 CG2 THR A 134 8.288 -12.354 -13.756 1.00 0.00 ATOM 1016 N TRP A 135 6.651 -8.020 -14.516 1.00 0.00 ATOM 1017 CA TRP A 135 5.669 -6.943 -14.495 1.00 0.00 ATOM 1018 C TRP A 135 5.685 -6.022 -15.704 1.00 0.00 ATOM 1019 O TRP A 135 6.748 -5.619 -16.170 1.00 0.00 ATOM 1020 CB TRP A 135 5.891 -6.094 -13.247 1.00 0.00 ATOM 1021 CG TRP A 135 5.656 -6.832 -11.967 1.00 0.00 ATOM 1022 CD1 TRP A 135 6.596 -7.416 -11.167 1.00 0.00 ATOM 1023 CD2 TRP A 135 4.400 -7.011 -11.307 1.00 0.00 ATOM 1024 NE1 TRP A 135 6.003 -7.938 -10.044 1.00 0.00 ATOM 1025 CE2 TRP A 135 4.654 -7.701 -10.105 1.00 0.00 ATOM 1026 CE3 TRP A 135 3.080 -6.646 -11.611 1.00 0.00 ATOM 1027 CZ2 TRP A 135 3.639 -8.033 -9.205 1.00 0.00 ATOM 1028 CZ3 TRP A 135 2.074 -6.976 -10.716 1.00 0.00 ATOM 1029 CH2 TRP A 135 2.359 -7.663 -9.528 1.00 0.00 ATOM 1030 N ARG A 136 4.497 -5.675 -16.188 1.00 0.00 ATOM 1031 CA ARG A 136 4.332 -4.750 -17.309 1.00 0.00 ATOM 1032 C ARG A 136 3.676 -3.501 -16.722 1.00 0.00 ATOM 1033 O ARG A 136 2.680 -3.609 -16.004 1.00 0.00 ATOM 1034 CB ARG A 136 3.393 -5.332 -18.371 1.00 0.00 ATOM 1035 CG ARG A 136 3.955 -6.493 -19.180 1.00 0.00 ATOM 1036 CD ARG A 136 3.807 -7.829 -18.453 1.00 0.00 ATOM 1037 NE ARG A 136 2.405 -8.195 -18.226 1.00 0.00 ATOM 1038 CZ ARG A 136 1.722 -9.078 -18.959 1.00 0.00 ATOM 1039 NH1 ARG A 136 2.310 -9.695 -19.982 1.00 0.00 ATOM 1040 NH2 ARG A 136 0.455 -9.367 -18.652 1.00 0.00 ATOM 1041 N GLY A 137 4.192 -2.318 -17.032 1.00 0.00 ATOM 1042 CA GLY A 137 3.575 -1.127 -16.474 1.00 0.00 ATOM 1043 C GLY A 137 3.272 0.049 -17.386 1.00 0.00 ATOM 1044 O GLY A 137 3.739 0.110 -18.520 1.00 0.00 ATOM 1045 N GLU A 138 2.428 0.954 -16.892 1.00 0.00 ATOM 1046 CA GLU A 138 2.061 2.179 -17.603 1.00 0.00 ATOM 1047 C GLU A 138 2.295 3.306 -16.628 1.00 0.00 ATOM 1048 O GLU A 138 1.770 3.286 -15.521 1.00 0.00 ATOM 1049 CB GLU A 138 0.591 2.204 -18.014 1.00 0.00 ATOM 1050 CG GLU A 138 0.143 1.014 -18.794 1.00 0.00 ATOM 1051 CD GLU A 138 -0.638 0.069 -17.923 1.00 0.00 ATOM 1052 OE1 GLU A 138 -0.100 -1.010 -17.568 1.00 0.00 ATOM 1053 OE2 GLU A 138 -1.787 0.433 -17.571 1.00 0.00 ATOM 1054 N THR A 139 3.092 4.279 -17.051 1.00 0.00 ATOM 1055 CA THR A 139 3.432 5.435 -16.238 1.00 0.00 ATOM 1056 C THR A 139 2.562 6.631 -16.593 1.00 0.00 ATOM 1057 O THR A 139 2.492 7.021 -17.758 1.00 0.00 ATOM 1058 CB THR A 139 4.883 5.844 -16.474 1.00 0.00 ATOM 1059 OG1 THR A 139 5.706 4.672 -16.522 1.00 0.00 ATOM 1060 CG2 THR A 139 5.361 6.738 -15.355 1.00 0.00 ATOM 1061 N GLY A 140 1.903 7.203 -15.588 1.00 0.00 ATOM 1062 CA GLY A 140 1.067 8.368 -15.804 1.00 0.00 ATOM 1063 C GLY A 140 1.920 9.620 -15.839 1.00 0.00 ATOM 1064 O GLY A 140 3.127 9.553 -15.641 1.00 0.00 ATOM 1065 N GLU A 141 1.293 10.766 -16.070 1.00 0.00 ATOM 1066 CA GLU A 141 2.012 12.031 -16.141 1.00 0.00 ATOM 1067 C GLU A 141 2.264 12.626 -14.778 1.00 0.00 ATOM 1068 O GLU A 141 1.414 12.541 -13.901 1.00 0.00 ATOM 1069 CB GLU A 141 1.232 13.042 -16.983 1.00 0.00 ATOM 1070 CG GLU A 141 1.127 12.675 -18.468 1.00 0.00 ATOM 1071 CD GLU A 141 2.486 12.537 -19.158 1.00 0.00 ATOM 1072 OE1 GLU A 141 2.698 11.511 -19.846 1.00 0.00 ATOM 1073 OE2 GLU A 141 3.340 13.446 -19.019 1.00 0.00 ATOM 1074 N TRP A 142 3.437 13.226 -14.603 1.00 0.00 ATOM 1075 CA TRP A 142 3.771 13.864 -13.341 1.00 0.00 ATOM 1076 C TRP A 142 2.756 14.987 -13.098 1.00 0.00 ATOM 1077 O TRP A 142 2.270 15.606 -14.042 1.00 0.00 ATOM 1078 CB TRP A 142 5.178 14.463 -13.385 1.00 0.00 ATOM 1079 CG TRP A 142 6.325 13.494 -13.254 1.00 0.00 ATOM 1080 CD1 TRP A 142 7.202 13.135 -14.236 1.00 0.00 ATOM 1081 CD2 TRP A 142 6.801 12.862 -12.050 1.00 0.00 ATOM 1082 NE1 TRP A 142 8.201 12.332 -13.723 1.00 0.00 ATOM 1083 CE2 TRP A 142 7.978 12.150 -12.386 1.00 0.00 ATOM 1084 CE3 TRP A 142 6.354 12.839 -10.723 1.00 0.00 ATOM 1085 CZ2 TRP A 142 8.710 11.422 -11.444 1.00 0.00 ATOM 1086 CZ3 TRP A 142 7.082 12.116 -9.784 1.00 0.00 ATOM 1087 CH2 TRP A 142 8.248 11.416 -10.152 1.00 0.00 ATOM 1088 N ARG A 143 2.407 15.215 -11.839 1.00 0.00 ATOM 1089 CA ARG A 143 1.460 16.260 -11.473 1.00 0.00 ATOM 1090 C ARG A 143 2.019 16.926 -10.226 1.00 0.00 ATOM 1091 O ARG A 143 2.871 16.359 -9.549 1.00 0.00 ATOM 1092 CB ARG A 143 0.074 15.668 -11.142 1.00 0.00 ATOM 1093 CG ARG A 143 -0.463 14.584 -12.102 1.00 0.00 ATOM 1094 CD ARG A 143 -1.877 14.118 -11.684 1.00 0.00 ATOM 1095 NE ARG A 143 -2.332 12.898 -12.377 1.00 0.00 ATOM 1096 CZ ARG A 143 -3.182 11.997 -11.860 1.00 0.00 ATOM 1097 NH1 ARG A 143 -3.686 12.166 -10.635 1.00 0.00 ATOM 1098 NH2 ARG A 143 -3.542 10.923 -12.566 1.00 0.00 ATOM 1099 N PHE A 144 1.579 18.145 -9.940 1.00 0.00 ATOM 1100 CA PHE A 144 2.022 18.831 -8.733 1.00 0.00 ATOM 1101 C PHE A 144 0.923 18.777 -7.673 1.00 0.00 ATOM 1102 O PHE A 144 -0.218 19.157 -7.918 1.00 0.00 ATOM 1103 CB PHE A 144 2.374 20.311 -9.009 1.00 0.00 ATOM 1104 CG PHE A 144 3.851 20.572 -9.211 1.00 0.00 ATOM 1105 CD1 PHE A 144 4.348 20.885 -10.466 1.00 0.00 ATOM 1106 CD2 PHE A 144 4.735 20.516 -8.141 1.00 0.00 ATOM 1107 CE1 PHE A 144 5.696 21.137 -10.651 1.00 0.00 ATOM 1108 CE2 PHE A 144 6.087 20.767 -8.317 1.00 0.00 ATOM 1109 CZ PHE A 144 6.569 21.078 -9.575 1.00 0.00 ATOM 1110 N SER A 145 1.278 18.283 -6.498 1.00 0.00 ATOM 1111 CA SER A 145 0.366 18.213 -5.366 1.00 0.00 ATOM 1112 C SER A 145 0.286 19.615 -4.778 1.00 0.00 ATOM 1113 O SER A 145 1.195 20.421 -4.986 1.00 0.00 ATOM 1114 CB SER A 145 0.973 17.294 -4.317 1.00 0.00 ATOM 1115 OG SER A 145 0.492 17.604 -3.029 1.00 0.00 ATOM 1116 N ARG A 146 -0.762 19.921 -4.021 1.00 0.00 ATOM 1117 CA ARG A 146 -0.799 21.248 -3.427 1.00 0.00 ATOM 1118 C ARG A 146 0.220 21.336 -2.292 1.00 0.00 ATOM 1119 O ARG A 146 0.482 22.417 -1.779 1.00 0.00 ATOM 1120 CB ARG A 146 -2.193 21.651 -2.963 1.00 0.00 ATOM 1121 CG ARG A 146 -2.663 21.015 -1.707 1.00 0.00 ATOM 1122 CD ARG A 146 -4.070 20.505 -1.938 1.00 0.00 ATOM 1123 NE ARG A 146 -4.755 20.213 -0.684 1.00 0.00 ATOM 1124 CZ ARG A 146 -5.723 19.315 -0.550 1.00 0.00 ATOM 1125 NH1 ARG A 146 -6.134 18.594 -1.599 1.00 0.00 ATOM 1126 NH2 ARG A 146 -6.286 19.152 0.641 1.00 0.00 ATOM 1127 N SER A 147 0.806 20.202 -1.907 1.00 0.00 ATOM 1128 CA SER A 147 1.845 20.203 -0.873 1.00 0.00 ATOM 1129 C SER A 147 3.164 20.650 -1.551 1.00 0.00 ATOM 1130 O SER A 147 4.181 20.892 -0.889 1.00 0.00 ATOM 1131 CB SER A 147 2.008 18.810 -0.246 1.00 0.00 ATOM 1132 OG SER A 147 2.525 17.870 -1.180 1.00 0.00 ATOM 1133 N GLY A 148 3.128 20.769 -2.877 1.00 0.00 ATOM 1134 CA GLY A 148 4.297 21.190 -3.613 1.00 0.00 ATOM 1135 C GLY A 148 5.119 20.048 -4.153 1.00 0.00 ATOM 1136 O GLY A 148 6.060 20.269 -4.910 1.00 0.00 ATOM 1137 N LEU A 149 4.784 18.824 -3.766 1.00 0.00 ATOM 1138 CA LEU A 149 5.528 17.668 -4.241 1.00 0.00 ATOM 1139 C LEU A 149 4.998 17.202 -5.569 1.00 0.00 ATOM 1140 O LEU A 149 3.799 17.207 -5.810 1.00 0.00 ATOM 1141 CB LEU A 149 5.445 16.526 -3.233 1.00 0.00 ATOM 1142 CG LEU A 149 6.132 16.756 -1.895 1.00 0.00 ATOM 1143 CD1 LEU A 149 5.898 15.562 -1.020 1.00 0.00 ATOM 1144 CD2 LEU A 149 7.616 16.972 -2.084 1.00 0.00 ATOM 1145 N ARG A 150 5.905 16.830 -6.453 1.00 0.00 ATOM 1146 CA ARG A 150 5.514 16.318 -7.759 1.00 0.00 ATOM 1147 C ARG A 150 5.277 14.815 -7.539 1.00 0.00 ATOM 1148 O ARG A 150 5.957 14.198 -6.723 1.00 0.00 ATOM 1149 CB ARG A 150 6.665 16.550 -8.733 1.00 0.00 ATOM 1150 CG ARG A 150 6.272 16.927 -10.136 1.00 0.00 ATOM 1151 CD ARG A 150 7.485 17.466 -10.890 1.00 0.00 ATOM 1152 NE ARG A 150 8.546 16.467 -10.959 1.00 0.00 ATOM 1153 CZ ARG A 150 8.910 15.824 -12.063 1.00 0.00 ATOM 1154 NH1 ARG A 150 8.307 16.073 -13.218 1.00 0.00 ATOM 1155 NH2 ARG A 150 9.851 14.899 -12.000 1.00 0.00 ATOM 1156 N TYR A 151 4.285 14.236 -8.201 1.00 0.00 ATOM 1157 CA TYR A 151 4.018 12.810 -8.047 1.00 0.00 ATOM 1158 C TYR A 151 3.398 12.249 -9.316 1.00 0.00 ATOM 1159 O TYR A 151 2.906 13.002 -10.158 1.00 0.00 ATOM 1160 CB TYR A 151 3.069 12.552 -6.868 1.00 0.00 ATOM 1161 CG TYR A 151 1.659 13.033 -7.111 1.00 0.00 ATOM 1162 CD1 TYR A 151 0.682 12.173 -7.608 1.00 0.00 ATOM 1163 CD2 TYR A 151 1.309 14.368 -6.890 1.00 0.00 ATOM 1164 CE1 TYR A 151 -0.609 12.633 -7.887 1.00 0.00 ATOM 1165 CE2 TYR A 151 0.019 14.837 -7.165 1.00 0.00 ATOM 1166 CZ TYR A 151 -0.931 13.965 -7.665 1.00 0.00 ATOM 1167 OH TYR A 151 -2.195 14.430 -7.961 1.00 0.00 ATOM 1168 N ARG A 152 3.474 10.931 -9.471 1.00 0.00 ATOM 1169 CA ARG A 152 2.865 10.259 -10.606 1.00 0.00 ATOM 1170 C ARG A 152 2.418 8.866 -10.230 1.00 0.00 ATOM 1171 O ARG A 152 2.920 8.270 -9.286 1.00 0.00 ATOM 1172 CB ARG A 152 3.769 10.228 -11.833 1.00 0.00 ATOM 1173 CG ARG A 152 5.071 9.525 -11.670 1.00 0.00 ATOM 1174 CD ARG A 152 5.712 9.376 -13.022 1.00 0.00 ATOM 1175 NE ARG A 152 7.075 8.903 -12.881 1.00 0.00 ATOM 1176 CZ ARG A 152 7.970 8.871 -13.863 1.00 0.00 ATOM 1177 NH1 ARG A 152 7.640 9.280 -15.077 1.00 0.00 ATOM 1178 NH2 ARG A 152 9.217 8.491 -13.606 1.00 0.00 ATOM 1179 N LEU A 153 1.430 8.376 -10.964 1.00 0.00 ATOM 1180 CA LEU A 153 0.860 7.069 -10.718 1.00 0.00 ATOM 1181 C LEU A 153 1.334 6.056 -11.743 1.00 0.00 ATOM 1182 O LEU A 153 1.555 6.387 -12.906 1.00 0.00 ATOM 1183 CB LEU A 153 -0.668 7.153 -10.739 1.00 0.00 ATOM 1184 CG LEU A 153 -1.325 8.282 -9.924 1.00 0.00 ATOM 1185 CD1 LEU A 153 -2.852 8.179 -10.009 1.00 0.00 ATOM 1186 CD2 LEU A 153 -0.877 8.258 -8.477 1.00 0.00 ATOM 1187 N TYR A 154 1.539 4.829 -11.278 1.00 0.00 ATOM 1188 CA TYR A 154 1.967 3.710 -12.111 1.00 0.00 ATOM 1189 C TYR A 154 0.965 2.580 -11.938 1.00 0.00 ATOM 1190 O TYR A 154 0.433 2.366 -10.851 1.00 0.00 ATOM 1191 CB TYR A 154 3.305 3.163 -11.635 1.00 0.00 ATOM 1192 CG TYR A 154 4.537 3.955 -11.965 1.00 0.00 ATOM 1193 CD1 TYR A 154 4.975 4.978 -11.128 1.00 0.00 ATOM 1194 CD2 TYR A 154 5.339 3.596 -13.054 1.00 0.00 ATOM 1195 CE1 TYR A 154 6.191 5.617 -11.359 1.00 0.00 ATOM 1196 CE2 TYR A 154 6.545 4.224 -13.295 1.00 0.00 ATOM 1197 CZ TYR A 154 6.975 5.229 -12.446 1.00 0.00 ATOM 1198 OH TYR A 154 8.204 5.818 -12.655 1.00 0.00 ATOM 1199 N SER A 155 0.734 1.829 -13.003 1.00 0.00 ATOM 1200 CA SER A 155 -0.163 0.691 -12.954 1.00 0.00 ATOM 1201 C SER A 155 0.575 -0.478 -13.564 1.00 0.00 ATOM 1202 O SER A 155 1.016 -0.416 -14.711 1.00 0.00 ATOM 1203 CB SER A 155 -1.441 0.973 -13.724 1.00 0.00 ATOM 1204 OG SER A 155 -2.278 1.811 -12.958 1.00 0.00 ATOM 1205 N TYR A 156 0.773 -1.512 -12.756 1.00 0.00 ATOM 1206 CA TYR A 156 1.478 -2.701 -13.189 1.00 0.00 ATOM 1207 C TYR A 156 0.574 -3.894 -13.118 1.00 0.00 ATOM 1208 O TYR A 156 -0.313 -3.974 -12.265 1.00 0.00 ATOM 1209 CB TYR A 156 2.655 -2.988 -12.279 1.00 0.00 ATOM 1210 CG TYR A 156 3.749 -1.970 -12.293 1.00 0.00 ATOM 1211 CD1 TYR A 156 3.755 -0.923 -11.372 1.00 0.00 ATOM 1212 CD2 TYR A 156 4.827 -2.096 -13.166 1.00 0.00 ATOM 1213 CE1 TYR A 156 4.798 -0.038 -11.312 1.00 0.00 ATOM 1214 CE2 TYR A 156 5.883 -1.214 -13.114 1.00 0.00 ATOM 1215 CZ TYR A 156 5.863 -0.187 -12.182 1.00 0.00 ATOM 1216 OH TYR A 156 6.925 0.679 -12.091 1.00 0.00 ATOM 1217 N HIS A 157 0.865 -4.856 -13.984 1.00 0.00 ATOM 1218 CA HIS A 157 0.126 -6.102 -14.050 1.00 0.00 ATOM 1219 C HIS A 157 1.036 -7.207 -14.588 1.00 0.00 ATOM 1220 O HIS A 157 2.131 -6.954 -15.106 1.00 0.00 ATOM 1221 CB HIS A 157 -1.112 -5.951 -14.939 1.00 0.00 ATOM 1222 CG HIS A 157 -0.796 -5.532 -16.341 1.00 0.00 ATOM 1223 ND1 HIS A 157 -0.382 -4.254 -16.662 1.00 0.00 ATOM 1224 CD2 HIS A 157 -0.803 -6.229 -17.505 1.00 0.00 ATOM 1225 CE1 HIS A 157 -0.146 -4.184 -17.961 1.00 0.00 ATOM 1226 NE2 HIS A 157 -0.394 -5.368 -18.497 1.00 0.00 ATOM 1227 N ARG A 158 0.601 -8.438 -14.359 1.00 0.00 ATOM 1228 CA ARG A 158 1.283 -9.631 -14.822 1.00 0.00 ATOM 1229 C ARG A 158 0.252 -10.735 -14.697 1.00 0.00 ATOM 1230 O ARG A 158 -0.747 -10.579 -13.993 1.00 0.00 ATOM 1231 CB ARG A 158 2.541 -9.924 -14.001 1.00 0.00 ATOM 1232 CG ARG A 158 2.325 -10.464 -12.617 1.00 0.00 ATOM 1233 CD ARG A 158 3.664 -10.801 -11.994 1.00 0.00 ATOM 1234 NE ARG A 158 3.505 -11.145 -10.584 1.00 0.00 ATOM 1235 CZ ARG A 158 4.498 -11.450 -9.760 1.00 0.00 ATOM 1236 NH1 ARG A 158 5.749 -11.479 -10.194 1.00 0.00 ATOM 1237 NH2 ARG A 158 4.245 -11.665 -8.480 1.00 0.00 ATOM 1238 N SER A 159 0.433 -11.814 -15.442 1.00 0.00 ATOM 1239 CA SER A 159 -0.533 -12.901 -15.384 1.00 0.00 ATOM 1240 C SER A 159 -0.099 -14.117 -14.575 1.00 0.00 ATOM 1241 O SER A 159 -0.928 -15.051 -14.493 1.00 0.00 ATOM 1242 CB SER A 159 -0.960 -13.298 -16.792 1.00 0.00 ATOM 1243 OG SER A 159 -1.558 -12.189 -17.443 1.00 0.00 ATOM 1244 OXT SER A 159 1.011 -14.089 -13.973 1.00 0.00 TER 1245 SER A 159 laila/./outfile-laila-9.pdb0000664000076600007660000000000012307606044015223 0ustar galaxygalaxylaila/./outfile-laila-4.pdb0000664000076600007660000000460612307606044015236 0ustar galaxygalaxyMODEL 5 REMARK VINA RESULT: -6.5 4.393 7.399 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 -1.191 3.157 5.463 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -1.806 4.036 4.362 1.00 20.00 HETATM 3 C1 TOP A 201 -2.018 5.398 4.587 1.00 20.00 HETATM 4 N2 TOP A 201 -2.633 6.289 3.782 1.00 20.00 HETATM 5 C3 TOP A 201 -3.054 5.818 2.547 1.00 20.00 HETATM 6 N5 TOP A 201 -2.793 4.509 2.113 1.00 20.00 HETATM 7 C6 TOP A 201 -2.194 3.633 3.028 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 -3.740 6.673 1.701 1.00 20.00 HETATM 9 H41 TOP A 201 -3.802 7.659 1.793 1.00 20.00 HETATM 10 H42 TOP A 201 -4.235 6.331 0.875 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 -2.021 2.364 2.529 1.00 20.00 HETATM 12 H71 TOP A 201 -2.686 1.612 2.552 1.00 20.00 HETATM 13 H72 TOP A 201 -1.162 2.082 2.075 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 0.369 3.072 5.577 1.00 20.00 HETATM 15 C11 TOP A 201 1.030 2.895 6.810 1.00 20.00 HETATM 16 C12 TOP A 201 2.437 2.956 6.954 1.00 20.00 HETATM 17 C15 TOP A 201 3.250 3.009 5.782 1.00 20.00 HETATM 18 C18 TOP A 201 2.604 3.055 4.510 1.00 20.00 HETATM 19 C21 TOP A 201 1.192 3.103 4.438 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 3.014 2.739 8.200 1.00 20.00 HETATM 21 C14 TOP A 201 3.013 1.428 8.759 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 4.612 2.828 5.858 1.00 20.00 HETATM 23 C17 TOP A 201 5.111 1.497 5.838 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 3.351 2.959 3.347 1.00 20.00 HETATM 25 C20 TOP A 201 2.985 3.802 2.260 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL laila/./REC-laila-normal.pdbqt0000664000076600007660000030233412307605613015672 0ustar galaxygalaxyATOM 1 N MET A 1 -7.666 -12.503 -7.596 1.00 0.00 0.626 N ATOM 2 CA MET A 1 -6.845 -11.294 -7.883 1.00 0.00 0.382 C ATOM 3 C MET A 1 -6.358 -10.631 -6.595 1.00 0.00 0.289 C ATOM 4 O MET A 1 -7.159 -10.238 -5.736 1.00 0.00 -0.268 OA ATOM 5 CB MET A 1 -7.666 -10.277 -8.686 1.00 0.00 0.061 C ATOM 6 CG MET A 1 -6.868 -9.138 -9.382 1.00 0.00 0.060 C ATOM 7 SD MET A 1 -6.016 -7.851 -8.372 1.00 0.00 -0.139 SA ATOM 8 CE MET A 1 -7.337 -7.058 -7.519 1.00 0.00 0.069 C ATOM 9 N VAL A 2 -5.039 -10.569 -6.443 1.00 0.00 -0.229 NA ATOM 10 CA VAL A 2 -4.432 -9.905 -5.306 1.00 0.00 0.186 C ATOM 11 C VAL A 2 -3.626 -8.757 -5.882 1.00 0.00 0.274 C ATOM 12 O VAL A 2 -2.848 -8.935 -6.820 1.00 0.00 -0.268 OA ATOM 13 CB VAL A 2 -3.518 -10.833 -4.505 1.00 0.00 0.032 C ATOM 14 CG1 VAL A 2 -2.790 -10.057 -3.441 1.00 0.00 0.003 C ATOM 15 CG2 VAL A 2 -4.333 -11.907 -3.852 1.00 0.00 0.003 C ATOM 16 N GLY A 3 -3.883 -7.561 -5.370 1.00 0.00 -0.226 NA ATOM 17 CA GLY A 3 -3.157 -6.395 -5.826 1.00 0.00 0.218 C ATOM 18 C GLY A 3 -2.468 -5.721 -4.668 1.00 0.00 0.277 C ATOM 19 O GLY A 3 -2.866 -5.888 -3.520 1.00 0.00 -0.268 OA ATOM 20 N LEU A 4 -1.386 -5.019 -4.962 1.00 0.00 -0.229 NA ATOM 21 CA LEU A 4 -0.663 -4.285 -3.945 1.00 0.00 0.186 C ATOM 22 C LEU A 4 -0.829 -2.807 -4.262 1.00 0.00 0.274 C ATOM 23 O LEU A 4 -0.918 -2.440 -5.420 1.00 0.00 -0.268 OA ATOM 24 CB LEU A 4 0.828 -4.629 -3.989 1.00 0.00 0.034 C ATOM 25 CG LEU A 4 1.392 -5.804 -3.185 1.00 0.00 0.002 C ATOM 26 CD1 LEU A 4 0.551 -7.043 -3.328 1.00 0.00 0.000 C ATOM 27 CD2 LEU A 4 2.836 -6.059 -3.615 1.00 0.00 0.000 C ATOM 28 N ILE A 5 -0.940 -1.967 -3.239 1.00 0.00 -0.229 NA ATOM 29 CA ILE A 5 -1.043 -0.531 -3.464 1.00 0.00 0.186 C ATOM 30 C ILE A 5 -0.207 0.196 -2.419 1.00 0.00 0.274 C ATOM 31 O ILE A 5 -0.243 -0.143 -1.235 1.00 0.00 -0.268 OA ATOM 32 CB ILE A 5 -2.525 -0.020 -3.488 1.00 0.00 0.032 C ATOM 33 CG1 ILE A 5 -2.556 1.504 -3.678 1.00 0.00 0.002 C ATOM 34 CG2 ILE A 5 -3.269 -0.410 -2.227 1.00 0.00 0.003 C ATOM 35 CD1 ILE A 5 -3.933 2.054 -4.027 1.00 0.00 0.000 C ATOM 36 N TRP A 6 0.628 1.123 -2.878 1.00 0.00 -0.228 NA ATOM 37 CA TRP A 6 1.479 1.898 -1.989 1.00 0.00 0.191 C ATOM 38 C TRP A 6 1.942 3.188 -2.655 1.00 0.00 0.275 C ATOM 39 O TRP A 6 1.821 3.357 -3.868 1.00 0.00 -0.268 OA ATOM 40 CB TRP A 6 2.719 1.088 -1.567 1.00 0.00 0.062 C ATOM 41 CG TRP A 6 3.782 0.892 -2.652 1.00 0.00 0.001 A ATOM 42 CD1 TRP A 6 4.800 1.754 -2.976 1.00 0.00 0.095 A ATOM 43 CD2 TRP A 6 3.934 -0.246 -3.514 1.00 0.00 0.015 A ATOM 44 NE1 TRP A 6 5.574 1.221 -3.979 1.00 0.00 -0.244 NA ATOM 45 CE2 TRP A 6 5.065 -0.003 -4.329 1.00 0.00 0.081 A ATOM 46 CE3 TRP A 6 3.229 -1.450 -3.669 1.00 0.00 0.001 A ATOM 47 CZ2 TRP A 6 5.507 -0.919 -5.289 1.00 0.00 0.019 A ATOM 48 CZ3 TRP A 6 3.669 -2.359 -4.621 1.00 0.00 0.000 A ATOM 49 CH2 TRP A 6 4.799 -2.085 -5.419 1.00 0.00 0.002 A ATOM 50 N ALA A 7 2.491 4.078 -1.838 1.00 0.00 -0.229 NA ATOM 51 CA ALA A 7 3.047 5.354 -2.271 1.00 0.00 0.186 C ATOM 52 C ALA A 7 4.509 5.327 -1.791 1.00 0.00 0.274 C ATOM 53 O ALA A 7 4.778 5.052 -0.622 1.00 0.00 -0.268 OA ATOM 54 CB ALA A 7 2.288 6.522 -1.613 1.00 0.00 0.037 C ATOM 55 N GLN A 8 5.450 5.583 -2.693 1.00 0.00 -0.229 NA ATOM 56 CA GLN A 8 6.860 5.559 -2.331 1.00 0.00 0.187 C ATOM 57 C GLN A 8 7.632 6.758 -2.847 1.00 0.00 0.274 C ATOM 58 O GLN A 8 7.283 7.331 -3.880 1.00 0.00 -0.268 OA ATOM 59 CB GLN A 8 7.539 4.324 -2.923 1.00 0.00 0.044 C ATOM 60 CG GLN A 8 7.620 4.364 -4.434 1.00 0.00 0.094 C ATOM 61 CD GLN A 8 8.529 3.308 -5.000 1.00 0.00 0.274 C ATOM 62 OE1 GLN A 8 8.129 2.168 -5.184 1.00 0.00 -0.269 OA ATOM 63 NE2 GLN A 8 9.765 3.686 -5.296 1.00 0.00 -0.107 N ATOM 64 N ALA A 9 8.690 7.104 -2.113 1.00 0.00 -0.229 NA ATOM 65 CA ALA A 9 9.607 8.159 -2.516 1.00 0.00 0.186 C ATOM 66 C ALA A 9 10.380 7.485 -3.638 1.00 0.00 0.274 C ATOM 67 O ALA A 9 10.480 6.260 -3.675 1.00 0.00 -0.268 OA ATOM 68 CB ALA A 9 10.570 8.523 -1.364 1.00 0.00 0.037 C ATOM 69 N THR A 10 10.903 8.265 -4.567 1.00 0.00 -0.226 NA ATOM 70 CA THR A 10 11.675 7.712 -5.673 1.00 0.00 0.216 C ATOM 71 C THR A 10 12.703 6.688 -5.168 1.00 0.00 0.277 C ATOM 72 O THR A 10 12.987 5.686 -5.827 1.00 0.00 -0.268 OA ATOM 73 CB THR A 10 12.396 8.862 -6.391 1.00 0.00 0.184 C ATOM 74 OG1 THR A 10 11.411 9.718 -6.985 1.00 0.00 -0.221 OA ATOM 75 CG2 THR A 10 13.361 8.343 -7.452 1.00 0.00 0.038 C ATOM 76 N SER A 11 13.194 6.925 -3.959 1.00 0.00 -0.226 NA ATOM 77 CA SER A 11 14.191 6.086 -3.312 1.00 0.00 0.219 C ATOM 78 C SER A 11 13.677 4.725 -2.888 1.00 0.00 0.277 C ATOM 79 O SER A 11 14.466 3.825 -2.601 1.00 0.00 -0.268 OA ATOM 80 CB SER A 11 14.721 6.799 -2.079 1.00 0.00 0.216 C ATOM 81 OG SER A 11 13.709 6.913 -1.093 1.00 0.00 -0.218 OA ATOM 82 N GLY A 12 12.356 4.597 -2.784 1.00 0.00 -0.226 NA ATOM 83 CA GLY A 12 11.761 3.333 -2.379 1.00 0.00 0.218 C ATOM 84 C GLY A 12 11.257 3.333 -0.950 1.00 0.00 0.277 C ATOM 85 O GLY A 12 10.607 2.380 -0.523 1.00 0.00 -0.268 OA ATOM 86 N VAL A 13 11.535 4.408 -0.212 1.00 0.00 -0.229 NA ATOM 87 CA VAL A 13 11.091 4.521 1.173 1.00 0.00 0.186 C ATOM 88 C VAL A 13 9.592 4.738 1.196 1.00 0.00 0.274 C ATOM 89 O VAL A 13 9.078 5.560 0.445 1.00 0.00 -0.268 OA ATOM 90 CB VAL A 13 11.782 5.711 1.900 1.00 0.00 0.032 C ATOM 91 CG1 VAL A 13 11.249 5.869 3.333 1.00 0.00 0.003 C ATOM 92 CG2 VAL A 13 13.287 5.502 1.916 1.00 0.00 0.003 C ATOM 93 N ILE A 14 8.888 3.952 2.005 1.00 0.00 -0.229 NA ATOM 94 CA ILE A 14 7.449 4.104 2.127 1.00 0.00 0.186 C ATOM 95 C ILE A 14 7.083 4.445 3.562 1.00 0.00 0.274 C ATOM 96 O ILE A 14 6.001 4.960 3.822 1.00 0.00 -0.268 OA ATOM 97 CB ILE A 14 6.648 2.833 1.700 1.00 0.00 0.032 C ATOM 98 CG1 ILE A 14 6.988 1.644 2.596 1.00 0.00 0.002 C ATOM 99 CG2 ILE A 14 6.872 2.524 0.242 1.00 0.00 0.003 C ATOM 100 CD1 ILE A 14 6.010 0.468 2.490 1.00 0.00 0.000 C ATOM 101 N GLY A 15 7.994 4.191 4.498 1.00 0.00 -0.226 NA ATOM 102 CA GLY A 15 7.699 4.471 5.895 1.00 0.00 0.218 C ATOM 103 C GLY A 15 8.940 4.712 6.725 1.00 0.00 0.277 C ATOM 104 O GLY A 15 10.000 4.147 6.452 1.00 0.00 -0.268 OA ATOM 105 N ARG A 16 8.804 5.566 7.734 1.00 0.00 -0.229 NA ATOM 106 CA ARG A 16 9.905 5.906 8.632 1.00 0.00 0.186 C ATOM 107 C ARG A 16 9.331 6.375 9.963 1.00 0.00 0.274 C ATOM 108 O ARG A 16 8.442 7.217 9.985 1.00 0.00 -0.268 OA ATOM 109 CB ARG A 16 10.781 7.004 8.026 1.00 0.00 0.036 C ATOM 110 CG ARG A 16 11.960 7.387 8.905 1.00 0.00 0.029 C ATOM 111 CD ARG A 16 12.892 8.330 8.189 1.00 0.00 0.145 C ATOM 112 NE ARG A 16 13.458 7.722 6.993 1.00 0.00 -0.083 NA ATOM 113 CZ ARG A 16 14.131 8.394 6.067 1.00 0.00 0.782 C ATOM 114 NH1 ARG A 16 14.310 9.691 6.204 1.00 0.00 0.063 N ATOM 115 NH2 ARG A 16 14.642 7.775 5.009 1.00 0.00 0.063 N ATOM 116 N GLY A 17 9.825 5.814 11.068 1.00 0.00 -0.226 NA ATOM 117 CA GLY A 17 9.339 6.191 12.390 1.00 0.00 0.218 C ATOM 118 C GLY A 17 7.873 5.849 12.592 1.00 0.00 0.277 C ATOM 119 O GLY A 17 7.176 6.454 13.409 1.00 0.00 -0.268 OA ATOM 120 N GLY A 18 7.400 4.869 11.835 1.00 0.00 -0.226 NA ATOM 121 CA GLY A 18 6.015 4.474 11.934 1.00 0.00 0.218 C ATOM 122 C GLY A 18 5.066 5.376 11.166 1.00 0.00 0.277 C ATOM 123 O GLY A 18 3.859 5.183 11.252 1.00 0.00 -0.268 OA ATOM 124 N ASP A 19 5.588 6.326 10.392 1.00 0.00 -0.228 NA ATOM 125 CA ASP A 19 4.741 7.244 9.620 1.00 0.00 0.197 C ATOM 126 C ASP A 19 5.092 7.223 8.138 1.00 0.00 0.275 C ATOM 127 O ASP A 19 6.038 6.562 7.726 1.00 0.00 -0.268 OA ATOM 128 CB ASP A 19 4.943 8.700 10.087 1.00 0.00 0.132 C ATOM 129 CG ASP A 19 4.688 8.901 11.574 1.00 0.00 0.188 C ATOM 130 OD1 ASP A 19 5.505 9.604 12.222 1.00 0.00 -0.647 OA ATOM 131 OD2 ASP A 19 3.676 8.375 12.088 1.00 0.00 -0.647 OA ATOM 132 N ILE A 20 4.278 7.904 7.338 1.00 0.00 -0.229 NA ATOM 133 CA ILE A 20 4.557 8.060 5.921 1.00 0.00 0.184 C ATOM 134 C ILE A 20 5.328 9.381 5.998 1.00 0.00 0.256 C ATOM 135 O ILE A 20 4.806 10.369 6.504 1.00 0.00 -0.270 OA ATOM 136 CB ILE A 20 3.279 8.207 5.094 1.00 0.00 0.032 C ATOM 137 CG1 ILE A 20 2.551 6.858 5.032 1.00 0.00 0.002 C ATOM 138 CG2 ILE A 20 3.613 8.681 3.705 1.00 0.00 0.003 C ATOM 139 CD1 ILE A 20 1.351 6.819 4.092 1.00 0.00 0.000 C ATOM 140 N PRO A 21 6.577 9.414 5.506 1.00 0.00 -0.312 N ATOM 141 CA PRO A 21 7.424 10.608 5.542 1.00 0.00 0.165 C ATOM 142 C PRO A 21 7.161 11.744 4.554 1.00 0.00 0.272 C ATOM 143 O PRO A 21 8.101 12.386 4.085 1.00 0.00 -0.269 OA ATOM 144 CB PRO A 21 8.841 10.039 5.361 1.00 0.00 0.034 C ATOM 145 CG PRO A 21 8.653 8.531 5.121 1.00 0.00 0.027 C ATOM 146 CD PRO A 21 7.228 8.354 4.725 1.00 0.00 0.105 C ATOM 147 N TRP A 22 5.899 11.999 4.242 1.00 0.00 -0.228 NA ATOM 148 CA TRP A 22 5.542 13.081 3.325 1.00 0.00 0.191 C ATOM 149 C TRP A 22 4.056 13.356 3.383 1.00 0.00 0.275 C ATOM 150 O TRP A 22 3.289 12.556 3.909 1.00 0.00 -0.268 OA ATOM 151 CB TRP A 22 5.946 12.765 1.874 1.00 0.00 0.062 C ATOM 152 CG TRP A 22 5.300 11.539 1.284 1.00 0.00 0.001 A ATOM 153 CD1 TRP A 22 4.031 11.431 0.797 1.00 0.00 0.095 A ATOM 154 CD2 TRP A 22 5.895 10.246 1.137 1.00 0.00 0.015 A ATOM 155 NE1 TRP A 22 3.796 10.146 0.361 1.00 0.00 -0.244 NA ATOM 156 CE2 TRP A 22 4.923 9.399 0.560 1.00 0.00 0.081 A ATOM 157 CE3 TRP A 22 7.158 9.716 1.445 1.00 0.00 0.001 A ATOM 158 CZ2 TRP A 22 5.171 8.056 0.285 1.00 0.00 0.019 A ATOM 159 CZ3 TRP A 22 7.400 8.369 1.168 1.00 0.00 0.000 A ATOM 160 CH2 TRP A 22 6.409 7.561 0.597 1.00 0.00 0.002 A ATOM 161 N ARG A 23 3.665 14.501 2.840 1.00 0.00 -0.229 NA ATOM 162 CA ARG A 23 2.262 14.893 2.793 1.00 0.00 0.186 C ATOM 163 C ARG A 23 1.862 14.994 1.332 1.00 0.00 0.274 C ATOM 164 O ARG A 23 2.514 15.679 0.538 1.00 0.00 -0.268 OA ATOM 165 CB ARG A 23 1.993 16.228 3.514 1.00 0.00 0.036 C ATOM 166 CG ARG A 23 3.174 16.877 4.228 1.00 0.00 0.029 C ATOM 167 CD ARG A 23 4.185 17.444 3.223 1.00 0.00 0.145 C ATOM 168 NE ARG A 23 5.295 16.523 2.965 1.00 0.00 -0.083 NA ATOM 169 CZ ARG A 23 6.397 16.843 2.292 1.00 0.00 0.782 C ATOM 170 NH1 ARG A 23 6.545 18.062 1.783 1.00 0.00 0.063 N ATOM 171 NH2 ARG A 23 7.392 15.970 2.192 1.00 0.00 0.063 N ATOM 172 N LEU A 24 0.805 14.271 0.985 1.00 0.00 -0.229 NA ATOM 173 CA LEU A 24 0.281 14.219 -0.371 1.00 0.00 0.184 C ATOM 174 C LEU A 24 -1.200 13.995 -0.195 1.00 0.00 0.256 C ATOM 175 O LEU A 24 -1.671 12.863 -0.223 1.00 0.00 -0.270 OA ATOM 176 CB LEU A 24 0.902 13.035 -1.135 1.00 0.00 0.034 C ATOM 177 CG LEU A 24 0.633 12.905 -2.635 1.00 0.00 0.002 C ATOM 178 CD1 LEU A 24 1.054 14.154 -3.341 1.00 0.00 0.000 C ATOM 179 CD2 LEU A 24 1.411 11.758 -3.197 1.00 0.00 0.000 C ATOM 180 N PRO A 25 -1.959 15.078 0.009 1.00 0.00 -0.312 N ATOM 181 CA PRO A 25 -3.407 15.018 0.204 1.00 0.00 0.165 C ATOM 182 C PRO A 25 -4.194 14.334 -0.910 1.00 0.00 0.272 C ATOM 183 O PRO A 25 -5.222 13.722 -0.635 1.00 0.00 -0.269 OA ATOM 184 CB PRO A 25 -3.788 16.486 0.385 1.00 0.00 0.034 C ATOM 185 CG PRO A 25 -2.724 17.222 -0.371 1.00 0.00 0.027 C ATOM 186 CD PRO A 25 -1.488 16.473 0.021 1.00 0.00 0.105 C ATOM 187 N GLU A 26 -3.696 14.383 -2.144 1.00 0.00 -0.229 NA ATOM 188 CA GLU A 26 -4.383 13.750 -3.274 1.00 0.00 0.187 C ATOM 189 C GLU A 26 -4.278 12.226 -3.254 1.00 0.00 0.274 C ATOM 190 O GLU A 26 -4.952 11.535 -4.023 1.00 0.00 -0.268 OA ATOM 191 CB GLU A 26 -3.813 14.248 -4.603 1.00 0.00 0.045 C ATOM 192 CG GLU A 26 -3.989 15.732 -4.844 1.00 0.00 0.100 C ATOM 193 CD GLU A 26 -2.898 16.573 -4.223 1.00 0.00 0.185 C ATOM 194 OE1 GLU A 26 -2.070 16.028 -3.462 1.00 0.00 -0.647 OA ATOM 195 OE2 GLU A 26 -2.867 17.793 -4.509 1.00 0.00 -0.647 OA ATOM 196 N ASP A 27 -3.400 11.714 -2.400 1.00 0.00 -0.228 NA ATOM 197 CA ASP A 27 -3.174 10.279 -2.296 1.00 0.00 0.197 C ATOM 198 C ASP A 27 -4.391 9.570 -1.732 1.00 0.00 0.275 C ATOM 199 O ASP A 27 -4.848 8.566 -2.276 1.00 0.00 -0.268 OA ATOM 200 CB ASP A 27 -1.938 10.018 -1.423 1.00 0.00 0.132 C ATOM 201 CG ASP A 27 -1.631 8.537 -1.236 1.00 0.00 0.188 C ATOM 202 OD1 ASP A 27 -1.279 7.852 -2.212 1.00 0.00 -0.647 OA ATOM 203 OD2 ASP A 27 -1.709 8.063 -0.089 1.00 0.00 -0.647 OA ATOM 204 N GLN A 28 -4.946 10.149 -0.678 1.00 0.00 -0.229 NA ATOM 205 CA GLN A 28 -6.104 9.590 0.013 1.00 0.00 0.187 C ATOM 206 C GLN A 28 -7.252 9.211 -0.914 1.00 0.00 0.274 C ATOM 207 O GLN A 28 -7.851 8.144 -0.766 1.00 0.00 -0.268 OA ATOM 208 CB GLN A 28 -6.584 10.582 1.074 1.00 0.00 0.044 C ATOM 209 CG GLN A 28 -5.429 11.160 1.904 1.00 0.00 0.094 C ATOM 210 CD GLN A 28 -5.753 12.517 2.536 1.00 0.00 0.274 C ATOM 211 OE1 GLN A 28 -6.578 13.292 2.020 1.00 0.00 -0.269 OA ATOM 212 NE2 GLN A 28 -5.081 12.822 3.649 1.00 0.00 -0.107 N ATOM 213 N ALA A 29 -7.536 10.082 -1.879 1.00 0.00 -0.229 NA ATOM 214 CA ALA A 29 -8.618 9.872 -2.829 1.00 0.00 0.186 C ATOM 215 C ALA A 29 -8.303 8.806 -3.862 1.00 0.00 0.274 C ATOM 216 O ALA A 29 -9.203 8.103 -4.319 1.00 0.00 -0.268 OA ATOM 217 CB ALA A 29 -8.972 11.177 -3.507 1.00 0.00 0.037 C ATOM 218 N HIS A 30 -7.044 8.718 -4.285 1.00 0.00 -0.228 NA ATOM 219 CA HIS A 30 -6.665 7.697 -5.257 1.00 0.00 0.192 C ATOM 220 C HIS A 30 -6.693 6.320 -4.573 1.00 0.00 0.275 C ATOM 221 O HIS A 30 -7.133 5.326 -5.146 1.00 0.00 -0.268 OA ATOM 222 CB HIS A 30 -5.277 7.966 -5.839 1.00 0.00 0.082 C ATOM 223 CG HIS A 30 -4.825 6.897 -6.785 1.00 0.00 0.082 A ATOM 224 ND1 HIS A 30 -3.750 6.071 -6.519 1.00 0.00 -0.227 NA ATOM 225 CD2 HIS A 30 -5.347 6.468 -7.957 1.00 0.00 0.116 A ATOM 226 CE1 HIS A 30 -3.633 5.179 -7.487 1.00 0.00 0.199 A ATOM 227 NE2 HIS A 30 -4.588 5.397 -8.372 1.00 0.00 -0.221 NA ATOM 228 N PHE A 31 -6.206 6.277 -3.343 1.00 0.00 -0.228 NA ATOM 229 CA PHE A 31 -6.192 5.053 -2.560 1.00 0.00 0.191 C ATOM 230 C PHE A 31 -7.633 4.585 -2.367 1.00 0.00 0.275 C ATOM 231 O PHE A 31 -7.949 3.413 -2.574 1.00 0.00 -0.268 OA ATOM 232 CB PHE A 31 -5.520 5.331 -1.210 1.00 0.00 0.060 C ATOM 233 CG PHE A 31 -5.630 4.207 -0.216 1.00 0.00 -0.020 A ATOM 234 CD1 PHE A 31 -4.886 3.042 -0.370 1.00 0.00 -0.004 A ATOM 235 CD2 PHE A 31 -6.469 4.325 0.885 1.00 0.00 -0.004 A ATOM 236 CE1 PHE A 31 -4.972 2.014 0.556 1.00 0.00 -0.000 A ATOM 237 CE2 PHE A 31 -6.560 3.303 1.821 1.00 0.00 -0.000 A ATOM 238 CZ PHE A 31 -5.805 2.139 1.653 1.00 0.00 -0.000 A ATOM 239 N ARG A 32 -8.509 5.519 -2.010 1.00 0.00 -0.229 NA ATOM 240 CA ARG A 32 -9.917 5.229 -1.786 1.00 0.00 0.186 C ATOM 241 C ARG A 32 -10.570 4.670 -3.044 1.00 0.00 0.274 C ATOM 242 O ARG A 32 -11.207 3.620 -3.008 1.00 0.00 -0.268 OA ATOM 243 CB ARG A 32 -10.645 6.504 -1.341 1.00 0.00 0.036 C ATOM 244 CG ARG A 32 -12.093 6.299 -0.929 1.00 0.00 0.029 C ATOM 245 CD ARG A 32 -12.817 7.625 -0.717 1.00 0.00 0.145 C ATOM 246 NE ARG A 32 -14.239 7.447 -0.370 1.00 0.00 -0.083 NA ATOM 247 CZ ARG A 32 -15.183 6.942 -1.175 1.00 0.00 0.782 C ATOM 248 NH1 ARG A 32 -14.887 6.545 -2.408 1.00 0.00 0.063 N ATOM 249 NH2 ARG A 32 -16.433 6.822 -0.737 1.00 0.00 0.063 N ATOM 250 N GLU A 33 -10.348 5.350 -4.164 1.00 0.00 -0.229 NA ATOM 251 CA GLU A 33 -10.913 4.971 -5.445 1.00 0.00 0.187 C ATOM 252 C GLU A 33 -10.592 3.528 -5.824 1.00 0.00 0.274 C ATOM 253 O GLU A 33 -11.457 2.794 -6.302 1.00 0.00 -0.268 OA ATOM 254 CB GLU A 33 -10.398 5.930 -6.529 1.00 0.00 0.045 C ATOM 255 CG GLU A 33 -11.332 6.143 -7.718 1.00 0.00 0.100 C ATOM 256 CD GLU A 33 -11.653 4.853 -8.465 1.00 0.00 0.185 C ATOM 257 OE1 GLU A 33 -10.734 4.296 -9.114 1.00 0.00 -0.647 OA ATOM 258 OE2 GLU A 33 -12.818 4.384 -8.385 1.00 0.00 -0.647 OA ATOM 259 N ILE A 34 -9.354 3.118 -5.582 1.00 0.00 -0.229 NA ATOM 260 CA ILE A 34 -8.901 1.777 -5.929 1.00 0.00 0.186 C ATOM 261 C ILE A 34 -9.386 0.692 -4.964 1.00 0.00 0.274 C ATOM 262 O ILE A 34 -9.823 -0.386 -5.395 1.00 0.00 -0.268 OA ATOM 263 CB ILE A 34 -7.343 1.748 -6.011 1.00 0.00 0.032 C ATOM 264 CG1 ILE A 34 -6.848 2.478 -7.270 1.00 0.00 0.002 C ATOM 265 CG2 ILE A 34 -6.813 0.328 -5.939 1.00 0.00 0.003 C ATOM 266 CD1 ILE A 34 -7.175 1.780 -8.566 1.00 0.00 0.000 C ATOM 267 N THR A 35 -9.341 0.996 -3.669 1.00 0.00 -0.226 NA ATOM 268 CA THR A 35 -9.709 0.037 -2.634 1.00 0.00 0.216 C ATOM 269 C THR A 35 -11.167 -0.058 -2.203 1.00 0.00 0.277 C ATOM 270 O THR A 35 -11.588 -1.093 -1.691 1.00 0.00 -0.268 OA ATOM 271 CB THR A 35 -8.831 0.239 -1.366 1.00 0.00 0.184 C ATOM 272 OG1 THR A 35 -9.074 1.530 -0.780 1.00 0.00 -0.221 OA ATOM 273 CG2 THR A 35 -7.357 0.114 -1.723 1.00 0.00 0.038 C ATOM 274 N MET A 36 -11.944 0.997 -2.430 1.00 0.00 -0.229 NA ATOM 275 CA MET A 36 -13.336 1.027 -1.993 1.00 0.00 0.187 C ATOM 276 C MET A 36 -14.174 -0.193 -2.371 1.00 0.00 0.274 C ATOM 277 O MET A 36 -14.125 -0.665 -3.497 1.00 0.00 -0.268 OA ATOM 278 CB MET A 36 -14.010 2.316 -2.471 1.00 0.00 0.046 C ATOM 279 CG MET A 36 -15.363 2.562 -1.818 1.00 0.00 0.060 C ATOM 280 SD MET A 36 -15.317 2.566 -0.000 1.00 0.00 -0.139 SA ATOM 281 CE MET A 36 -14.159 3.876 0.311 1.00 0.00 0.069 C ATOM 282 N GLY A 37 -14.916 -0.721 -1.396 1.00 0.00 -0.226 NA ATOM 283 CA GLY A 37 -15.761 -1.880 -1.632 1.00 0.00 0.218 C ATOM 284 C GLY A 37 -15.056 -3.229 -1.665 1.00 0.00 0.277 C ATOM 285 O GLY A 37 -15.703 -4.259 -1.875 1.00 0.00 -0.268 OA ATOM 286 N HIS A 38 -13.744 -3.248 -1.455 1.00 0.00 -0.228 NA ATOM 287 CA HIS A 38 -13.010 -4.505 -1.491 1.00 0.00 0.192 C ATOM 288 C HIS A 38 -12.480 -4.894 -0.138 1.00 0.00 0.275 C ATOM 289 O HIS A 38 -12.702 -4.211 0.850 1.00 0.00 -0.268 OA ATOM 290 CB HIS A 38 -11.841 -4.432 -2.482 1.00 0.00 0.082 C ATOM 291 CG HIS A 38 -12.260 -4.148 -3.890 1.00 0.00 0.082 A ATOM 292 ND1 HIS A 38 -13.173 -4.932 -4.566 1.00 0.00 -0.227 NA ATOM 293 CD2 HIS A 38 -11.940 -3.136 -4.728 1.00 0.00 0.116 A ATOM 294 CE1 HIS A 38 -13.403 -4.409 -5.756 1.00 0.00 0.199 A ATOM 295 NE2 HIS A 38 -12.668 -3.319 -5.879 1.00 0.00 -0.221 NA ATOM 296 N THR A 39 -11.869 -6.067 -0.084 1.00 0.00 -0.226 NA ATOM 297 CA THR A 39 -11.259 -6.529 1.142 1.00 0.00 0.216 C ATOM 298 C THR A 39 -9.863 -5.925 1.094 1.00 0.00 0.277 C ATOM 299 O THR A 39 -9.238 -5.868 0.027 1.00 0.00 -0.268 OA ATOM 300 CB THR A 39 -11.154 -8.081 1.181 1.00 0.00 0.184 C ATOM 301 OG1 THR A 39 -12.449 -8.637 1.411 1.00 0.00 -0.221 OA ATOM 302 CG2 THR A 39 -10.218 -8.543 2.296 1.00 0.00 0.038 C ATOM 303 N ILE A 40 -9.410 -5.393 2.225 1.00 0.00 -0.229 NA ATOM 304 CA ILE A 40 -8.068 -4.826 2.301 1.00 0.00 0.186 C ATOM 305 C ILE A 40 -7.246 -5.562 3.363 1.00 0.00 0.274 C ATOM 306 O ILE A 40 -7.737 -5.844 4.452 1.00 0.00 -0.268 OA ATOM 307 CB ILE A 40 -8.098 -3.308 2.591 1.00 0.00 0.032 C ATOM 308 CG1 ILE A 40 -8.798 -3.031 3.911 1.00 0.00 0.002 C ATOM 309 CG2 ILE A 40 -8.824 -2.573 1.463 1.00 0.00 0.003 C ATOM 310 CD1 ILE A 40 -8.736 -1.604 4.296 1.00 0.00 0.000 C ATOM 311 N VAL A 41 -6.025 -5.942 3.003 1.00 0.00 -0.229 NA ATOM 312 CA VAL A 41 -5.128 -6.650 3.913 1.00 0.00 0.186 C ATOM 313 C VAL A 41 -3.934 -5.778 4.331 1.00 0.00 0.274 C ATOM 314 O VAL A 41 -3.319 -5.111 3.509 1.00 0.00 -0.268 OA ATOM 315 CB VAL A 41 -4.654 -7.973 3.274 1.00 0.00 0.032 C ATOM 316 CG1 VAL A 41 -3.593 -8.651 4.140 1.00 0.00 0.003 C ATOM 317 CG2 VAL A 41 -5.835 -8.881 3.094 1.00 0.00 0.003 C ATOM 318 N MET A 42 -3.626 -5.774 5.623 1.00 0.00 -0.229 NA ATOM 319 CA MET A 42 -2.522 -4.979 6.127 1.00 0.00 0.187 C ATOM 320 C MET A 42 -1.817 -5.675 7.293 1.00 0.00 0.274 C ATOM 321 O MET A 42 -2.404 -6.524 7.968 1.00 0.00 -0.268 OA ATOM 322 CB MET A 42 -3.051 -3.626 6.609 1.00 0.00 0.046 C ATOM 323 CG MET A 42 -3.849 -3.719 7.916 1.00 0.00 0.060 C ATOM 324 SD MET A 42 -4.709 -2.223 8.288 1.00 0.00 -0.139 SA ATOM 325 CE MET A 42 -6.237 -2.544 7.404 1.00 0.00 0.069 C ATOM 326 N GLY A 43 -0.551 -5.326 7.506 1.00 0.00 -0.226 NA ATOM 327 CA GLY A 43 0.185 -5.871 8.631 1.00 0.00 0.218 C ATOM 328 C GLY A 43 -0.224 -5.129 9.890 1.00 0.00 0.277 C ATOM 329 O GLY A 43 -0.690 -3.997 9.826 1.00 0.00 -0.268 OA ATOM 330 N ARG A 44 -0.031 -5.757 11.043 1.00 0.00 -0.229 NA ATOM 331 CA ARG A 44 -0.402 -5.174 12.326 1.00 0.00 0.186 C ATOM 332 C ARG A 44 0.132 -3.763 12.530 1.00 0.00 0.274 C ATOM 333 O ARG A 44 -0.547 -2.894 13.077 1.00 0.00 -0.268 OA ATOM 334 CB ARG A 44 0.074 -6.106 13.450 1.00 0.00 0.036 C ATOM 335 CG ARG A 44 -0.524 -5.833 14.825 1.00 0.00 0.029 C ATOM 336 CD ARG A 44 0.373 -4.957 15.655 1.00 0.00 0.145 C ATOM 337 NE ARG A 44 1.670 -5.592 15.869 1.00 0.00 -0.083 NA ATOM 338 CZ ARG A 44 2.760 -4.945 16.274 1.00 0.00 0.782 C ATOM 339 NH1 ARG A 44 2.717 -3.642 16.513 1.00 0.00 0.063 N ATOM 340 NH2 ARG A 44 3.899 -5.600 16.426 1.00 0.00 0.063 N ATOM 341 N ARG A 45 1.361 -3.531 12.105 1.00 0.00 -0.229 NA ATOM 342 CA ARG A 45 1.953 -2.214 12.262 1.00 0.00 0.186 C ATOM 343 C ARG A 45 1.273 -1.156 11.412 1.00 0.00 0.274 C ATOM 344 O ARG A 45 1.250 0.018 11.788 1.00 0.00 -0.268 OA ATOM 345 CB ARG A 45 3.433 -2.250 11.946 1.00 0.00 0.036 C ATOM 346 CG ARG A 45 4.264 -2.998 12.936 1.00 0.00 0.029 C ATOM 347 CD ARG A 45 5.688 -2.749 12.567 1.00 0.00 0.145 C ATOM 348 NE ARG A 45 6.623 -3.333 13.499 1.00 0.00 -0.083 NA ATOM 349 CZ ARG A 45 7.877 -3.628 13.178 1.00 0.00 0.782 C ATOM 350 NH1 ARG A 45 8.320 -3.384 11.948 1.00 0.00 0.063 N ATOM 351 NH2 ARG A 45 8.685 -4.177 14.080 1.00 0.00 0.063 N ATOM 352 N THR A 46 0.782 -1.540 10.236 1.00 0.00 -0.226 NA ATOM 353 CA THR A 46 0.077 -0.582 9.390 1.00 0.00 0.216 C ATOM 354 C THR A 46 -1.250 -0.245 10.080 1.00 0.00 0.277 C ATOM 355 O THR A 46 -1.678 0.907 10.107 1.00 0.00 -0.268 OA ATOM 356 CB THR A 46 -0.154 -1.140 7.971 1.00 0.00 0.184 C ATOM 357 OG1 THR A 46 1.106 -1.230 7.298 1.00 0.00 -0.221 OA ATOM 358 CG2 THR A 46 -1.048 -0.223 7.166 1.00 0.00 0.038 C ATOM 359 N TRP A 47 -1.872 -1.256 10.679 1.00 0.00 -0.228 NA ATOM 360 CA TRP A 47 -3.115 -1.055 11.402 1.00 0.00 0.191 C ATOM 361 C TRP A 47 -2.878 -0.041 12.524 1.00 0.00 0.275 C ATOM 362 O TRP A 47 -3.661 0.889 12.690 1.00 0.00 -0.268 OA ATOM 363 CB TRP A 47 -3.612 -2.376 11.994 1.00 0.00 0.062 C ATOM 364 CG TRP A 47 -4.765 -2.169 12.941 1.00 0.00 0.001 A ATOM 365 CD1 TRP A 47 -4.698 -2.091 14.300 1.00 0.00 0.095 A ATOM 366 CD2 TRP A 47 -6.158 -2.025 12.597 1.00 0.00 0.015 A ATOM 367 NE1 TRP A 47 -5.957 -1.911 14.825 1.00 0.00 -0.244 NA ATOM 368 CE2 TRP A 47 -6.871 -1.876 13.803 1.00 0.00 0.081 A ATOM 369 CE3 TRP A 47 -6.873 -2.024 11.387 1.00 0.00 0.001 A ATOM 370 CZ2 TRP A 47 -8.269 -1.728 13.839 1.00 0.00 0.019 A ATOM 371 CZ3 TRP A 47 -8.268 -1.876 11.421 1.00 0.00 0.000 A ATOM 372 CH2 TRP A 47 -8.944 -1.731 12.640 1.00 0.00 0.002 A ATOM 373 N ASP A 48 -1.801 -0.233 13.294 1.00 0.00 -0.228 NA ATOM 374 CA ASP A 48 -1.444 0.680 14.389 1.00 0.00 0.197 C ATOM 375 C ASP A 48 -1.166 2.086 13.871 1.00 0.00 0.275 C ATOM 376 O ASP A 48 -1.431 3.070 14.551 1.00 0.00 -0.268 OA ATOM 377 CB ASP A 48 -0.210 0.176 15.141 1.00 0.00 0.132 C ATOM 378 CG ASP A 48 -0.474 -1.104 15.924 1.00 0.00 0.188 C ATOM 379 OD1 ASP A 48 0.508 -1.822 16.198 1.00 0.00 -0.647 OA ATOM 380 OD2 ASP A 48 -1.640 -1.395 16.276 1.00 0.00 -0.647 OA ATOM 381 N SER A 49 -0.650 2.164 12.649 1.00 0.00 -0.226 NA ATOM 382 CA SER A 49 -0.326 3.424 11.995 1.00 0.00 0.219 C ATOM 383 C SER A 49 -1.577 4.215 11.592 1.00 0.00 0.277 C ATOM 384 O SER A 49 -1.538 5.435 11.460 1.00 0.00 -0.268 OA ATOM 385 CB SER A 49 0.535 3.136 10.761 1.00 0.00 0.216 C ATOM 386 OG SER A 49 1.005 4.326 10.156 1.00 0.00 -0.218 OA ATOM 387 N LEU A 50 -2.687 3.524 11.373 1.00 0.00 -0.229 NA ATOM 388 CA LEU A 50 -3.911 4.210 10.987 1.00 0.00 0.184 C ATOM 389 C LEU A 50 -4.449 5.055 12.142 1.00 0.00 0.256 C ATOM 390 O LEU A 50 -4.480 4.600 13.294 1.00 0.00 -0.270 OA ATOM 391 CB LEU A 50 -4.985 3.201 10.565 1.00 0.00 0.034 C ATOM 392 CG LEU A 50 -4.779 2.349 9.315 1.00 0.00 0.002 C ATOM 393 CD1 LEU A 50 -5.925 1.369 9.172 1.00 0.00 0.000 C ATOM 394 CD2 LEU A 50 -4.684 3.244 8.100 1.00 0.00 0.000 C ATOM 395 N PRO A 51 -4.837 6.317 11.863 1.00 0.00 -0.312 N ATOM 396 CA PRO A 51 -5.379 7.165 12.932 1.00 0.00 0.165 C ATOM 397 C PRO A 51 -6.633 6.473 13.484 1.00 0.00 0.272 C ATOM 398 O PRO A 51 -7.413 5.888 12.723 1.00 0.00 -0.269 OA ATOM 399 CB PRO A 51 -5.748 8.447 12.189 1.00 0.00 0.034 C ATOM 400 CG PRO A 51 -4.734 8.504 11.088 1.00 0.00 0.027 C ATOM 401 CD PRO A 51 -4.709 7.073 10.601 1.00 0.00 0.105 C ATOM 402 N ALA A 52 -6.809 6.515 14.801 1.00 0.00 -0.229 NA ATOM 403 CA ALA A 52 -7.959 5.886 15.450 1.00 0.00 0.186 C ATOM 404 C ALA A 52 -9.321 6.300 14.895 1.00 0.00 0.274 C ATOM 405 O ALA A 52 -10.250 5.496 14.841 1.00 0.00 -0.268 OA ATOM 406 CB ALA A 52 -7.916 6.148 16.934 1.00 0.00 0.037 C ATOM 407 N LYS A 53 -9.445 7.549 14.469 1.00 0.00 -0.229 NA ATOM 408 CA LYS A 53 -10.711 8.026 13.938 1.00 0.00 0.186 C ATOM 409 C LYS A 53 -11.013 7.506 12.543 1.00 0.00 0.274 C ATOM 410 O LYS A 53 -12.160 7.531 12.119 1.00 0.00 -0.268 OA ATOM 411 CB LYS A 53 -10.767 9.555 13.960 1.00 0.00 0.034 C ATOM 412 CG LYS A 53 -9.831 10.241 12.993 1.00 0.00 0.005 C ATOM 413 CD LYS A 53 -9.901 11.752 13.143 1.00 0.00 0.041 C ATOM 414 CE LYS A 53 -9.174 12.463 11.995 1.00 0.00 0.338 C ATOM 415 NZ LYS A 53 -7.769 11.964 11.782 1.00 0.00 0.618 N ATOM 416 N VAL A 54 -9.999 7.024 11.830 1.00 0.00 -0.229 NA ATOM 417 CA VAL A 54 -10.225 6.516 10.472 1.00 0.00 0.186 C ATOM 418 C VAL A 54 -10.237 4.989 10.334 1.00 0.00 0.274 C ATOM 419 O VAL A 54 -10.530 4.483 9.260 1.00 0.00 -0.268 OA ATOM 420 CB VAL A 54 -9.221 7.125 9.416 1.00 0.00 0.032 C ATOM 421 CG1 VAL A 54 -8.982 8.609 9.679 1.00 0.00 0.003 C ATOM 422 CG2 VAL A 54 -7.902 6.364 9.385 1.00 0.00 0.003 C ATOM 423 N ARG A 55 -9.949 4.256 11.409 1.00 0.00 -0.229 NA ATOM 424 CA ARG A 55 -9.922 2.798 11.350 1.00 0.00 0.185 C ATOM 425 C ARG A 55 -11.078 2.142 12.099 1.00 0.00 0.256 C ATOM 426 O ARG A 55 -11.422 2.557 13.202 1.00 0.00 -0.270 OA ATOM 427 CB ARG A 55 -8.614 2.275 11.917 1.00 0.00 0.036 C ATOM 428 CG ARG A 55 -8.538 2.416 13.398 1.00 0.00 0.029 C ATOM 429 CD ARG A 55 -7.536 1.488 13.973 1.00 0.00 0.145 C ATOM 430 NE ARG A 55 -6.330 2.195 14.352 1.00 0.00 -0.083 NA ATOM 431 CZ ARG A 55 -5.609 1.915 15.430 1.00 0.00 0.782 C ATOM 432 NH1 ARG A 55 -5.975 0.939 16.245 1.00 0.00 0.063 N ATOM 433 NH2 ARG A 55 -4.509 2.606 15.688 1.00 0.00 0.063 N ATOM 434 N PRO A 56 -11.656 1.065 11.538 1.00 0.00 -0.312 N ATOM 435 CA PRO A 56 -11.284 0.452 10.263 1.00 0.00 0.165 C ATOM 436 C PRO A 56 -11.656 1.357 9.102 1.00 0.00 0.272 C ATOM 437 O PRO A 56 -12.540 2.198 9.230 1.00 0.00 -0.269 OA ATOM 438 CB PRO A 56 -12.124 -0.819 10.250 1.00 0.00 0.034 C ATOM 439 CG PRO A 56 -13.365 -0.389 10.950 1.00 0.00 0.027 C ATOM 440 CD PRO A 56 -12.799 0.347 12.136 1.00 0.00 0.105 C ATOM 441 N LEU A 57 -10.941 1.226 7.990 1.00 0.00 -0.229 NA ATOM 442 CA LEU A 57 -11.234 2.025 6.813 1.00 0.00 0.184 C ATOM 443 C LEU A 57 -12.651 1.688 6.367 1.00 0.00 0.256 C ATOM 444 O LEU A 57 -12.974 0.516 6.137 1.00 0.00 -0.270 OA ATOM 445 CB LEU A 57 -10.241 1.709 5.706 1.00 0.00 0.034 C ATOM 446 CG LEU A 57 -8.825 2.091 6.091 1.00 0.00 0.002 C ATOM 447 CD1 LEU A 57 -7.869 1.764 4.955 1.00 0.00 0.000 C ATOM 448 CD2 LEU A 57 -8.806 3.584 6.403 1.00 0.00 0.000 C ATOM 449 N PRO A 58 -13.518 2.714 6.246 1.00 0.00 -0.312 N ATOM 450 CA PRO A 58 -14.922 2.568 5.838 1.00 0.00 0.165 C ATOM 451 C PRO A 58 -15.152 2.033 4.430 1.00 0.00 0.272 C ATOM 452 O PRO A 58 -14.392 2.352 3.512 1.00 0.00 -0.269 OA ATOM 453 CB PRO A 58 -15.466 3.998 5.978 1.00 0.00 0.034 C ATOM 454 CG PRO A 58 -14.569 4.612 7.018 1.00 0.00 0.027 C ATOM 455 CD PRO A 58 -13.221 4.116 6.581 1.00 0.00 0.105 C ATOM 456 N GLY A 59 -16.188 1.207 4.273 1.00 0.00 -0.226 NA ATOM 457 CA GLY A 59 -16.538 0.674 2.968 1.00 0.00 0.218 C ATOM 458 C GLY A 59 -15.651 -0.430 2.449 1.00 0.00 0.277 C ATOM 459 O GLY A 59 -15.702 -0.770 1.268 1.00 0.00 -0.268 OA ATOM 460 N ARG A 60 -14.860 -1.013 3.339 1.00 0.00 -0.229 NA ATOM 461 CA ARG A 60 -13.938 -2.072 2.967 1.00 0.00 0.186 C ATOM 462 C ARG A 60 -13.843 -3.049 4.100 1.00 0.00 0.274 C ATOM 463 O ARG A 60 -14.011 -2.674 5.247 1.00 0.00 -0.268 OA ATOM 464 CB ARG A 60 -12.551 -1.477 2.704 1.00 0.00 0.036 C ATOM 465 CG ARG A 60 -12.440 -0.769 1.375 1.00 0.00 0.029 C ATOM 466 CD ARG A 60 -11.445 0.351 1.413 1.00 0.00 0.145 C ATOM 467 NE ARG A 60 -11.917 1.462 2.234 1.00 0.00 -0.083 NA ATOM 468 CZ ARG A 60 -11.303 2.637 2.340 1.00 0.00 0.782 C ATOM 469 NH1 ARG A 60 -10.178 2.870 1.671 1.00 0.00 0.063 N ATOM 470 NH2 ARG A 60 -11.817 3.574 3.122 1.00 0.00 0.063 N ATOM 471 N ARG A 61 -13.609 -4.313 3.786 1.00 0.00 -0.229 NA ATOM 472 CA ARG A 61 -13.460 -5.315 4.828 1.00 0.00 0.186 C ATOM 473 C ARG A 61 -11.980 -5.276 5.234 1.00 0.00 0.274 C ATOM 474 O ARG A 61 -11.101 -5.585 4.434 1.00 0.00 -0.268 OA ATOM 475 CB ARG A 61 -13.856 -6.696 4.297 1.00 0.00 0.036 C ATOM 476 CG ARG A 61 -13.758 -7.814 5.329 1.00 0.00 0.029 C ATOM 477 CD ARG A 61 -14.137 -9.141 4.721 1.00 0.00 0.145 C ATOM 478 NE ARG A 61 -14.057 -10.216 5.706 1.00 0.00 -0.083 NA ATOM 479 CZ ARG A 61 -14.095 -11.514 5.414 1.00 0.00 0.782 C ATOM 480 NH1 ARG A 61 -14.213 -11.916 4.156 1.00 0.00 0.063 N ATOM 481 NH2 ARG A 61 -14.000 -12.418 6.383 1.00 0.00 0.063 N ATOM 482 N ASN A 62 -11.709 -4.825 6.456 1.00 0.00 -0.228 NA ATOM 483 CA ASN A 62 -10.345 -4.695 6.947 1.00 0.00 0.196 C ATOM 484 C ASN A 62 -9.805 -5.974 7.522 1.00 0.00 0.275 C ATOM 485 O ASN A 62 -10.383 -6.528 8.461 1.00 0.00 -0.268 OA ATOM 486 CB ASN A 62 -10.275 -3.632 8.023 1.00 0.00 0.126 C ATOM 487 CG ASN A 62 -10.497 -2.253 7.486 1.00 0.00 0.276 C ATOM 488 OD1 ASN A 62 -11.431 -2.008 6.709 1.00 0.00 -0.269 OA ATOM 489 ND2 ASN A 62 -9.667 -1.322 7.919 1.00 0.00 -0.107 N ATOM 490 N VAL A 63 -8.697 -6.450 6.962 1.00 0.00 -0.229 NA ATOM 491 CA VAL A 63 -8.078 -7.681 7.446 1.00 0.00 0.186 C ATOM 492 C VAL A 63 -6.675 -7.343 7.939 1.00 0.00 0.274 C ATOM 493 O VAL A 63 -5.899 -6.733 7.214 1.00 0.00 -0.268 OA ATOM 494 CB VAL A 63 -8.008 -8.772 6.342 1.00 0.00 0.032 C ATOM 495 CG1 VAL A 63 -7.379 -10.058 6.901 1.00 0.00 0.003 C ATOM 496 CG2 VAL A 63 -9.408 -9.082 5.804 1.00 0.00 0.003 C ATOM 497 N VAL A 64 -6.374 -7.720 9.183 1.00 0.00 -0.229 NA ATOM 498 CA VAL A 64 -5.079 -7.453 9.792 1.00 0.00 0.186 C ATOM 499 C VAL A 64 -4.314 -8.740 10.085 1.00 0.00 0.274 C ATOM 500 O VAL A 64 -4.818 -9.642 10.764 1.00 0.00 -0.268 OA ATOM 501 CB VAL A 64 -5.248 -6.680 11.095 1.00 0.00 0.032 C ATOM 502 CG1 VAL A 64 -3.896 -6.267 11.643 1.00 0.00 0.003 C ATOM 503 CG2 VAL A 64 -6.118 -5.471 10.865 1.00 0.00 0.003 C ATOM 504 N LEU A 65 -3.088 -8.814 9.576 1.00 0.00 -0.229 NA ATOM 505 CA LEU A 65 -2.235 -9.976 9.750 1.00 0.00 0.186 C ATOM 506 C LEU A 65 -1.404 -9.800 11.020 1.00 0.00 0.274 C ATOM 507 O LEU A 65 -0.736 -8.778 11.183 1.00 0.00 -0.268 OA ATOM 508 CB LEU A 65 -1.297 -10.071 8.552 1.00 0.00 0.034 C ATOM 509 CG LEU A 65 -1.171 -11.348 7.738 1.00 0.00 0.002 C ATOM 510 CD1 LEU A 65 0.089 -11.237 6.907 1.00 0.00 0.000 C ATOM 511 CD2 LEU A 65 -1.058 -12.551 8.640 1.00 0.00 0.000 C ATOM 512 N SER A 66 -1.443 -10.783 11.918 1.00 0.00 -0.226 NA ATOM 513 CA SER A 66 -0.666 -10.726 13.156 1.00 0.00 0.219 C ATOM 514 C SER A 66 -0.295 -12.122 13.638 1.00 0.00 0.277 C ATOM 515 O SER A 66 -1.009 -13.086 13.377 1.00 0.00 -0.268 OA ATOM 516 CB SER A 66 -1.451 -10.002 14.254 1.00 0.00 0.216 C ATOM 517 OG SER A 66 -0.722 -9.979 15.473 1.00 0.00 -0.218 OA ATOM 518 N ARG A 67 0.848 -12.245 14.300 1.00 0.00 -0.229 NA ATOM 519 CA ARG A 67 1.250 -13.547 14.827 1.00 0.00 0.186 C ATOM 520 C ARG A 67 0.671 -13.787 16.218 1.00 0.00 0.274 C ATOM 521 O ARG A 67 0.778 -14.883 16.756 1.00 0.00 -0.268 OA ATOM 522 CB ARG A 67 2.762 -13.694 14.858 1.00 0.00 0.036 C ATOM 523 CG ARG A 67 3.361 -13.965 13.499 1.00 0.00 0.029 C ATOM 524 CD ARG A 67 4.769 -14.535 13.631 1.00 0.00 0.145 C ATOM 525 NE ARG A 67 5.415 -14.674 12.338 1.00 0.00 -0.083 NA ATOM 526 CZ ARG A 67 5.989 -13.670 11.698 1.00 0.00 0.782 C ATOM 527 NH1 ARG A 67 5.997 -12.459 12.240 1.00 0.00 0.063 N ATOM 528 NH2 ARG A 67 6.532 -13.871 10.509 1.00 0.00 0.063 N ATOM 529 N GLN A 68 0.096 -12.746 16.812 1.00 0.00 -0.229 NA ATOM 530 CA GLN A 68 -0.523 -12.850 18.128 1.00 0.00 0.187 C ATOM 531 C GLN A 68 -1.953 -13.346 17.908 1.00 0.00 0.274 C ATOM 532 O GLN A 68 -2.752 -12.677 17.235 1.00 0.00 -0.268 OA ATOM 533 CB GLN A 68 -0.576 -11.477 18.787 1.00 0.00 0.044 C ATOM 534 CG GLN A 68 0.740 -10.734 18.790 1.00 0.00 0.094 C ATOM 535 CD GLN A 68 0.580 -9.314 19.283 1.00 0.00 0.274 C ATOM 536 OE1 GLN A 68 -0.143 -9.058 20.254 1.00 0.00 -0.269 OA ATOM 537 NE2 GLN A 68 1.231 -8.375 18.605 1.00 0.00 -0.107 N ATOM 538 N ALA A 69 -2.282 -14.518 18.444 1.00 0.00 -0.229 NA ATOM 539 CA ALA A 69 -3.633 -15.048 18.272 1.00 0.00 0.186 C ATOM 540 C ALA A 69 -4.650 -14.208 19.042 1.00 0.00 0.274 C ATOM 541 O ALA A 69 -5.828 -14.185 18.703 1.00 0.00 -0.268 OA ATOM 542 CB ALA A 69 -3.694 -16.493 18.722 1.00 0.00 0.037 C ATOM 543 N ASP A 70 -4.156 -13.463 20.027 1.00 0.00 -0.228 NA ATOM 544 CA ASP A 70 -4.957 -12.602 20.899 1.00 0.00 0.197 C ATOM 545 C ASP A 70 -5.062 -11.130 20.464 1.00 0.00 0.275 C ATOM 546 O ASP A 70 -5.618 -10.317 21.204 1.00 0.00 -0.268 OA ATOM 547 CB ASP A 70 -4.301 -12.595 22.278 1.00 0.00 0.132 C ATOM 548 CG ASP A 70 -2.886 -11.993 22.239 1.00 0.00 0.188 C ATOM 549 OD1 ASP A 70 -1.996 -12.610 21.596 1.00 0.00 -0.647 OA ATOM 550 OD2 ASP A 70 -2.672 -10.889 22.809 1.00 0.00 -0.647 OA ATOM 551 N PHE A 71 -4.484 -10.763 19.320 1.00 0.00 -0.228 NA ATOM 552 CA PHE A 71 -4.517 -9.361 18.907 1.00 0.00 0.191 C ATOM 553 C PHE A 71 -5.921 -8.788 18.767 1.00 0.00 0.275 C ATOM 554 O PHE A 71 -6.803 -9.416 18.185 1.00 0.00 -0.268 OA ATOM 555 CB PHE A 71 -3.692 -9.113 17.634 1.00 0.00 0.060 C ATOM 556 CG PHE A 71 -3.423 -7.650 17.380 1.00 0.00 -0.020 A ATOM 557 CD1 PHE A 71 -2.673 -6.902 18.285 1.00 0.00 -0.004 A ATOM 558 CD2 PHE A 71 -3.980 -6.999 16.280 1.00 0.00 -0.004 A ATOM 559 CE1 PHE A 71 -2.489 -5.526 18.103 1.00 0.00 -0.000 A ATOM 560 CE2 PHE A 71 -3.803 -5.622 16.087 1.00 0.00 -0.000 A ATOM 561 CZ PHE A 71 -3.060 -4.886 17.000 1.00 0.00 -0.000 A ATOM 562 N MET A 72 -6.115 -7.596 19.332 1.00 0.00 -0.229 NA ATOM 563 CA MET A 72 -7.402 -6.905 19.308 1.00 0.00 0.187 C ATOM 564 C MET A 72 -7.413 -5.818 18.242 1.00 0.00 0.274 C ATOM 565 O MET A 72 -6.597 -4.901 18.284 1.00 0.00 -0.268 OA ATOM 566 CB MET A 72 -7.679 -6.246 20.670 1.00 0.00 0.046 C ATOM 567 CG MET A 72 -7.254 -7.065 21.896 1.00 0.00 0.060 C ATOM 568 SD MET A 72 -8.528 -8.140 22.645 1.00 0.00 -0.139 SA ATOM 569 CE MET A 72 -8.880 -7.197 24.182 1.00 0.00 0.069 C ATOM 570 N ALA A 73 -8.357 -5.901 17.309 1.00 0.00 -0.229 NA ATOM 571 CA ALA A 73 -8.476 -4.908 16.247 1.00 0.00 0.186 C ATOM 572 C ALA A 73 -9.953 -4.659 15.964 1.00 0.00 0.274 C ATOM 573 O ALA A 73 -10.546 -5.334 15.137 1.00 0.00 -0.268 OA ATOM 574 CB ALA A 73 -7.764 -5.397 14.986 1.00 0.00 0.037 C ATOM 575 N SER A 74 -10.536 -3.677 16.646 1.00 0.00 -0.226 NA ATOM 576 CA SER A 74 -11.952 -3.350 16.489 1.00 0.00 0.219 C ATOM 577 C SER A 74 -12.408 -3.034 15.074 1.00 0.00 0.277 C ATOM 578 O SER A 74 -11.904 -2.110 14.437 1.00 0.00 -0.268 OA ATOM 579 CB SER A 74 -12.338 -2.195 17.415 1.00 0.00 0.216 C ATOM 580 OG SER A 74 -12.160 -2.575 18.766 1.00 0.00 -0.218 OA ATOM 581 N GLY A 75 -13.401 -3.781 14.605 1.00 0.00 -0.226 NA ATOM 582 CA GLY A 75 -13.928 -3.561 13.270 1.00 0.00 0.218 C ATOM 583 C GLY A 75 -13.099 -4.203 12.187 1.00 0.00 0.277 C ATOM 584 O GLY A 75 -13.351 -3.987 11.009 1.00 0.00 -0.268 OA ATOM 585 N ALA A 76 -12.100 -4.985 12.574 1.00 0.00 -0.229 NA ATOM 586 CA ALA A 76 -11.255 -5.659 11.602 1.00 0.00 0.186 C ATOM 587 C ALA A 76 -11.156 -7.136 11.898 1.00 0.00 0.274 C ATOM 588 O ALA A 76 -11.456 -7.584 13.002 1.00 0.00 -0.268 OA ATOM 589 CB ALA A 76 -9.874 -5.053 11.601 1.00 0.00 0.037 C ATOM 590 N GLU A 77 -10.754 -7.895 10.889 1.00 0.00 -0.229 NA ATOM 591 CA GLU A 77 -10.576 -9.328 11.025 1.00 0.00 0.187 C ATOM 592 C GLU A 77 -9.089 -9.644 11.227 1.00 0.00 0.274 C ATOM 593 O GLU A 77 -8.284 -9.400 10.337 1.00 0.00 -0.268 OA ATOM 594 CB GLU A 77 -11.075 -10.031 9.761 1.00 0.00 0.045 C ATOM 595 CG GLU A 77 -10.910 -11.532 9.809 1.00 0.00 0.100 C ATOM 596 CD GLU A 77 -11.173 -12.201 8.489 1.00 0.00 0.185 C ATOM 597 OE1 GLU A 77 -11.864 -13.240 8.480 1.00 0.00 -0.647 OA ATOM 598 OE2 GLU A 77 -10.679 -11.698 7.459 1.00 0.00 -0.647 OA ATOM 599 N VAL A 78 -8.727 -10.169 12.398 1.00 0.00 -0.229 NA ATOM 600 CA VAL A 78 -7.336 -10.545 12.683 1.00 0.00 0.186 C ATOM 601 C VAL A 78 -7.102 -11.997 12.277 1.00 0.00 0.274 C ATOM 602 O VAL A 78 -7.868 -12.879 12.664 1.00 0.00 -0.268 OA ATOM 603 CB VAL A 78 -6.974 -10.363 14.179 1.00 0.00 0.032 C ATOM 604 CG1 VAL A 78 -5.564 -10.881 14.461 1.00 0.00 0.003 C ATOM 605 CG2 VAL A 78 -7.055 -8.900 14.556 1.00 0.00 0.003 C ATOM 606 N VAL A 79 -6.100 -12.217 11.423 1.00 0.00 -0.229 NA ATOM 607 CA VAL A 79 -5.741 -13.550 10.951 1.00 0.00 0.186 C ATOM 608 C VAL A 79 -4.259 -13.812 11.275 1.00 0.00 0.274 C ATOM 609 O VAL A 79 -3.508 -12.875 11.535 1.00 0.00 -0.268 OA ATOM 610 CB VAL A 79 -6.031 -13.718 9.430 1.00 0.00 0.032 C ATOM 611 CG1 VAL A 79 -7.517 -13.536 9.164 1.00 0.00 0.003 C ATOM 612 CG2 VAL A 79 -5.257 -12.709 8.616 1.00 0.00 0.003 C ATOM 613 N GLY A 80 -3.850 -15.077 11.321 1.00 0.00 -0.226 NA ATOM 614 CA GLY A 80 -2.464 -15.386 11.646 1.00 0.00 0.218 C ATOM 615 C GLY A 80 -1.590 -15.801 10.478 1.00 0.00 0.277 C ATOM 616 O GLY A 80 -0.383 -15.971 10.629 1.00 0.00 -0.268 OA ATOM 617 N SER A 81 -2.181 -15.922 9.298 1.00 0.00 -0.226 NA ATOM 618 CA SER A 81 -1.440 -16.337 8.120 1.00 0.00 0.219 C ATOM 619 C SER A 81 -1.937 -15.606 6.890 1.00 0.00 0.277 C ATOM 620 O SER A 81 -3.080 -15.138 6.856 1.00 0.00 -0.268 OA ATOM 621 CB SER A 81 -1.613 -17.839 7.911 1.00 0.00 0.216 C ATOM 622 OG SER A 81 -2.939 -18.151 7.497 1.00 0.00 -0.218 OA ATOM 623 N LEU A 82 -1.098 -15.571 5.857 1.00 0.00 -0.229 NA ATOM 624 CA LEU A 82 -1.438 -14.907 4.609 1.00 0.00 0.186 C ATOM 625 C LEU A 82 -2.550 -15.645 3.878 1.00 0.00 0.274 C ATOM 626 O LEU A 82 -3.398 -15.016 3.243 1.00 0.00 -0.268 OA ATOM 627 CB LEU A 82 -0.217 -14.813 3.700 1.00 0.00 0.034 C ATOM 628 CG LEU A 82 0.143 -13.496 3.001 1.00 0.00 0.002 C ATOM 629 CD1 LEU A 82 0.510 -13.805 1.558 1.00 0.00 0.000 C ATOM 630 CD2 LEU A 82 -0.985 -12.488 3.054 1.00 0.00 0.000 C ATOM 631 N GLU A 83 -2.546 -16.973 3.965 1.00 0.00 -0.229 NA ATOM 632 CA GLU A 83 -3.569 -17.786 3.304 1.00 0.00 0.187 C ATOM 633 C GLU A 83 -4.973 -17.475 3.824 1.00 0.00 0.274 C ATOM 634 O GLU A 83 -5.942 -17.546 3.077 1.00 0.00 -0.268 OA ATOM 635 CB GLU A 83 -3.271 -19.283 3.458 1.00 0.00 0.045 C ATOM 636 CG GLU A 83 -2.856 -19.700 4.872 1.00 0.00 0.100 C ATOM 637 CD GLU A 83 -3.276 -21.131 5.243 1.00 0.00 0.185 C ATOM 638 OE1 GLU A 83 -4.134 -21.708 4.526 1.00 0.00 -0.647 OA ATOM 639 OE2 GLU A 83 -2.758 -21.669 6.259 1.00 0.00 -0.647 OA ATOM 640 N GLU A 84 -5.075 -17.156 5.112 1.00 0.00 -0.229 NA ATOM 641 CA GLU A 84 -6.358 -16.816 5.729 1.00 0.00 0.187 C ATOM 642 C GLU A 84 -6.797 -15.392 5.350 1.00 0.00 0.274 C ATOM 643 O GLU A 84 -7.980 -15.068 5.396 1.00 0.00 -0.268 OA ATOM 644 CB GLU A 84 -6.267 -16.913 7.254 1.00 0.00 0.045 C ATOM 645 CG GLU A 84 -6.098 -18.310 7.830 1.00 0.00 0.100 C ATOM 646 CD GLU A 84 -5.602 -18.269 9.265 1.00 0.00 0.185 C ATOM 647 OE1 GLU A 84 -6.149 -17.503 10.092 1.00 0.00 -0.647 OA ATOM 648 OE2 GLU A 84 -4.637 -18.991 9.576 1.00 0.00 -0.647 OA ATOM 649 N ALA A 85 -5.839 -14.545 4.991 1.00 0.00 -0.229 NA ATOM 650 CA ALA A 85 -6.139 -13.168 4.618 1.00 0.00 0.186 C ATOM 651 C ALA A 85 -6.518 -12.969 3.149 1.00 0.00 0.274 C ATOM 652 O ALA A 85 -7.303 -12.087 2.829 1.00 0.00 -0.268 OA ATOM 653 CB ALA A 85 -4.956 -12.282 4.972 1.00 0.00 0.037 C ATOM 654 N LEU A 86 -5.994 -13.817 2.266 1.00 0.00 -0.229 NA ATOM 655 CA LEU A 86 -6.232 -13.702 0.823 1.00 0.00 0.186 C ATOM 656 C LEU A 86 -7.409 -14.446 0.199 1.00 0.00 0.274 C ATOM 657 O LEU A 86 -7.500 -14.528 -1.027 1.00 0.00 -0.268 OA ATOM 658 CB LEU A 86 -4.958 -14.093 0.079 1.00 0.00 0.034 C ATOM 659 CG LEU A 86 -3.711 -13.324 0.510 1.00 0.00 0.002 C ATOM 660 CD1 LEU A 86 -2.489 -13.923 -0.155 1.00 0.00 0.000 C ATOM 661 CD2 LEU A 86 -3.849 -11.841 0.181 1.00 0.00 0.000 C ATOM 662 N THR A 87 -8.341 -14.924 1.013 1.00 0.00 -0.226 NA ATOM 663 CA THR A 87 -9.482 -15.685 0.496 1.00 0.00 0.216 C ATOM 664 C THR A 87 -10.458 -14.963 -0.455 1.00 0.00 0.277 C ATOM 665 O THR A 87 -11.192 -15.621 -1.196 1.00 0.00 -0.268 OA ATOM 666 CB THR A 87 -10.261 -16.379 1.643 1.00 0.00 0.184 C ATOM 667 OG1 THR A 87 -10.833 -15.388 2.498 1.00 0.00 -0.221 OA ATOM 668 CG2 THR A 87 -9.328 -17.250 2.473 1.00 0.00 0.038 C ATOM 669 N SER A 88 -10.469 -13.629 -0.460 1.00 0.00 -0.226 NA ATOM 670 CA SER A 88 -11.369 -12.890 -1.358 1.00 0.00 0.217 C ATOM 671 C SER A 88 -10.829 -12.829 -2.780 1.00 0.00 0.259 C ATOM 672 O SER A 88 -9.619 -12.770 -2.989 1.00 0.00 -0.270 OA ATOM 673 CB SER A 88 -11.582 -11.449 -0.879 1.00 0.00 0.216 C ATOM 674 OG SER A 88 -12.191 -11.393 0.399 1.00 0.00 -0.218 OA ATOM 675 N PRO A 89 -11.727 -12.838 -3.776 1.00 0.00 -0.312 N ATOM 676 CA PRO A 89 -11.437 -12.774 -5.217 1.00 0.00 0.165 C ATOM 677 C PRO A 89 -10.666 -11.491 -5.598 1.00 0.00 0.272 C ATOM 678 O PRO A 89 -9.812 -11.506 -6.489 1.00 0.00 -0.269 OA ATOM 679 CB PRO A 89 -12.835 -12.798 -5.841 1.00 0.00 0.034 C ATOM 680 CG PRO A 89 -13.581 -13.678 -4.903 1.00 0.00 0.027 C ATOM 681 CD PRO A 89 -13.154 -13.133 -3.556 1.00 0.00 0.105 C ATOM 682 N GLU A 90 -11.030 -10.367 -4.991 1.00 0.00 -0.229 NA ATOM 683 CA GLU A 90 -10.314 -9.133 -5.244 1.00 0.00 0.187 C ATOM 684 C GLU A 90 -9.851 -8.588 -3.895 1.00 0.00 0.274 C ATOM 685 O GLU A 90 -10.646 -8.095 -3.098 1.00 0.00 -0.268 OA ATOM 686 CB GLU A 90 -11.158 -8.111 -6.018 1.00 0.00 0.045 C ATOM 687 CG GLU A 90 -10.470 -6.737 -6.112 1.00 0.00 0.100 C ATOM 688 CD GLU A 90 -10.793 -5.940 -7.369 1.00 0.00 0.185 C ATOM 689 OE1 GLU A 90 -10.209 -4.841 -7.532 1.00 0.00 -0.647 OA ATOM 690 OE2 GLU A 90 -11.613 -6.404 -8.191 1.00 0.00 -0.647 OA ATOM 691 N THR A 91 -8.562 -8.749 -3.620 1.00 0.00 -0.226 NA ATOM 692 CA THR A 91 -7.987 -8.290 -2.363 1.00 0.00 0.216 C ATOM 693 C THR A 91 -6.901 -7.250 -2.603 1.00 0.00 0.277 C ATOM 694 O THR A 91 -6.103 -7.375 -3.525 1.00 0.00 -0.268 OA ATOM 695 CB THR A 91 -7.353 -9.470 -1.583 1.00 0.00 0.184 C ATOM 696 OG1 THR A 91 -8.350 -10.453 -1.285 1.00 0.00 -0.221 OA ATOM 697 CG2 THR A 91 -6.709 -8.984 -0.290 1.00 0.00 0.038 C ATOM 698 N TRP A 92 -6.887 -6.203 -1.798 1.00 0.00 -0.228 NA ATOM 699 CA TRP A 92 -5.841 -5.209 -1.935 1.00 0.00 0.191 C ATOM 700 C TRP A 92 -4.993 -5.189 -0.688 1.00 0.00 0.275 C ATOM 701 O TRP A 92 -5.511 -5.080 0.428 1.00 0.00 -0.268 OA ATOM 702 CB TRP A 92 -6.406 -3.819 -2.239 1.00 0.00 0.062 C ATOM 703 CG TRP A 92 -6.840 -3.700 -3.688 1.00 0.00 0.001 A ATOM 704 CD1 TRP A 92 -8.097 -3.925 -4.200 1.00 0.00 0.095 A ATOM 705 CD2 TRP A 92 -5.997 -3.415 -4.813 1.00 0.00 0.015 A ATOM 706 NE1 TRP A 92 -8.075 -3.807 -5.572 1.00 0.00 -0.244 NA ATOM 707 CE2 TRP A 92 -6.801 -3.494 -5.971 1.00 0.00 0.081 A ATOM 708 CE3 TRP A 92 -4.640 -3.109 -4.952 1.00 0.00 0.001 A ATOM 709 CZ2 TRP A 92 -6.288 -3.275 -7.249 1.00 0.00 0.019 A ATOM 710 CZ3 TRP A 92 -4.131 -2.895 -6.222 1.00 0.00 0.000 A ATOM 711 CH2 TRP A 92 -4.953 -2.980 -7.353 1.00 0.00 0.002 A ATOM 712 N VAL A 93 -3.696 -5.403 -0.880 1.00 0.00 -0.229 NA ATOM 713 CA VAL A 93 -2.737 -5.390 0.215 1.00 0.00 0.186 C ATOM 714 C VAL A 93 -2.320 -3.918 0.328 1.00 0.00 0.274 C ATOM 715 O VAL A 93 -1.733 -3.341 -0.589 1.00 0.00 -0.268 OA ATOM 716 CB VAL A 93 -1.543 -6.356 -0.088 1.00 0.00 0.032 C ATOM 717 CG1 VAL A 93 -0.453 -6.231 0.981 1.00 0.00 0.003 C ATOM 718 CG2 VAL A 93 -2.067 -7.819 -0.149 1.00 0.00 0.003 C ATOM 719 N ILE A 94 -2.705 -3.297 1.434 1.00 0.00 -0.229 NA ATOM 720 CA ILE A 94 -2.450 -1.881 1.632 1.00 0.00 0.186 C ATOM 721 C ILE A 94 -1.280 -1.565 2.511 1.00 0.00 0.278 C ATOM 722 O ILE A 94 -1.079 -0.421 2.920 1.00 0.00 -0.268 OA ATOM 723 CB ILE A 94 -3.680 -1.159 2.190 1.00 0.00 0.032 C ATOM 724 CG1 ILE A 94 -3.939 -1.571 3.636 1.00 0.00 0.002 C ATOM 725 CG2 ILE A 94 -4.881 -1.488 1.344 1.00 0.00 0.003 C ATOM 726 CD1 ILE A 94 -4.702 -0.520 4.417 1.00 0.00 0.000 C ATOM 727 N GLY A 95 -0.506 -2.567 2.848 1.00 0.00 -0.204 NA ATOM 728 CA GLY A 95 0.590 -2.201 3.664 1.00 0.00 0.164 C ATOM 729 C GLY A 95 1.327 -3.110 4.559 1.00 0.00 0.295 C ATOM 730 O GLY A 95 0.788 -3.999 5.215 1.00 0.00 -0.264 OA ATOM 731 N GLY A 96 2.465 -2.477 4.818 1.00 0.00 -0.223 NA ATOM 732 CA GLY A 96 3.544 -2.934 5.611 1.00 0.00 0.218 C ATOM 733 C GLY A 96 4.637 -3.260 4.622 1.00 0.00 0.277 C ATOM 734 O GLY A 96 4.343 -3.849 3.585 1.00 0.00 -0.268 OA ATOM 735 N GLY A 97 5.862 -2.815 4.875 1.00 0.00 -0.226 NA ATOM 736 CA GLY A 97 6.939 -3.206 3.996 1.00 0.00 0.218 C ATOM 737 C GLY A 97 7.032 -4.728 4.096 1.00 0.00 0.277 C ATOM 738 O GLY A 97 7.251 -5.417 3.097 1.00 0.00 -0.268 OA ATOM 739 N GLN A 98 6.803 -5.276 5.286 1.00 0.00 -0.229 NA ATOM 740 CA GLN A 98 6.843 -6.731 5.475 1.00 0.00 0.187 C ATOM 741 C GLN A 98 5.736 -7.460 4.721 1.00 0.00 0.274 C ATOM 742 O GLN A 98 5.980 -8.455 4.028 1.00 0.00 -0.268 OA ATOM 743 CB GLN A 98 6.720 -7.107 6.947 1.00 0.00 0.044 C ATOM 744 CG GLN A 98 7.919 -6.744 7.793 1.00 0.00 0.094 C ATOM 745 CD GLN A 98 7.688 -7.009 9.261 1.00 0.00 0.274 C ATOM 746 OE1 GLN A 98 7.983 -6.160 10.118 1.00 0.00 -0.269 OA ATOM 747 NE2 GLN A 98 7.154 -8.189 9.569 1.00 0.00 -0.107 N ATOM 748 N VAL A 99 4.514 -6.979 4.871 1.00 0.00 -0.229 NA ATOM 749 CA VAL A 99 3.395 -7.616 4.214 1.00 0.00 0.186 C ATOM 750 C VAL A 99 3.432 -7.530 2.696 1.00 0.00 0.274 C ATOM 751 O VAL A 99 2.984 -8.459 2.027 1.00 0.00 -0.268 OA ATOM 752 CB VAL A 99 2.065 -7.123 4.799 1.00 0.00 0.032 C ATOM 753 CG1 VAL A 99 0.892 -7.760 4.092 1.00 0.00 0.003 C ATOM 754 CG2 VAL A 99 2.009 -7.497 6.266 1.00 0.00 0.003 C ATOM 755 N TYR A 100 3.999 -6.461 2.141 1.00 0.00 -0.228 NA ATOM 756 CA TYR A 100 4.101 -6.343 0.682 1.00 0.00 0.191 C ATOM 757 C TYR A 100 5.042 -7.428 0.165 1.00 0.00 0.275 C ATOM 758 O TYR A 100 4.808 -8.021 -0.890 1.00 0.00 -0.268 OA ATOM 759 CB TYR A 100 4.669 -4.981 0.248 1.00 0.00 0.060 C ATOM 760 CG TYR A 100 3.735 -3.785 0.367 1.00 0.00 -0.020 A ATOM 761 CD1 TYR A 100 4.187 -2.597 0.943 1.00 0.00 -0.002 A ATOM 762 CD2 TYR A 100 2.416 -3.836 -0.096 1.00 0.00 -0.002 A ATOM 763 CE1 TYR A 100 3.355 -1.488 1.058 1.00 0.00 0.027 A ATOM 764 CE2 TYR A 100 1.576 -2.731 0.015 1.00 0.00 0.027 A ATOM 765 CZ TYR A 100 2.060 -1.555 0.596 1.00 0.00 0.131 A ATOM 766 OH TYR A 100 1.275 -0.423 0.714 1.00 0.00 -0.190 OA ATOM 767 N ALA A 101 6.131 -7.657 0.895 1.00 0.00 -0.229 NA ATOM 768 CA ALA A 101 7.120 -8.670 0.520 1.00 0.00 0.186 C ATOM 769 C ALA A 101 6.498 -10.049 0.572 1.00 0.00 0.274 C ATOM 770 O ALA A 101 6.722 -10.887 -0.299 1.00 0.00 -0.268 OA ATOM 771 CB ALA A 101 8.287 -8.616 1.471 1.00 0.00 0.037 C ATOM 772 N LEU A 102 5.715 -10.268 1.617 1.00 0.00 -0.229 NA ATOM 773 CA LEU A 102 5.028 -11.521 1.854 1.00 0.00 0.186 C ATOM 774 C LEU A 102 3.987 -11.820 0.768 1.00 0.00 0.274 C ATOM 775 O LEU A 102 3.904 -12.945 0.259 1.00 0.00 -0.268 OA ATOM 776 CB LEU A 102 4.338 -11.419 3.215 1.00 0.00 0.034 C ATOM 777 CG LEU A 102 3.989 -12.625 4.091 1.00 0.00 0.002 C ATOM 778 CD1 LEU A 102 5.269 -13.374 4.514 1.00 0.00 0.000 C ATOM 779 CD2 LEU A 102 3.237 -12.115 5.335 1.00 0.00 0.000 C ATOM 780 N ALA A 103 3.219 -10.800 0.390 1.00 0.00 -0.229 NA ATOM 781 CA ALA A 103 2.151 -10.947 -0.595 1.00 0.00 0.186 C ATOM 782 C ALA A 103 2.513 -10.774 -2.066 1.00 0.00 0.274 C ATOM 783 O ALA A 103 1.741 -11.163 -2.933 1.00 0.00 -0.268 OA ATOM 784 CB ALA A 103 1.011 -10.008 -0.236 1.00 0.00 0.037 C ATOM 785 N LEU A 104 3.670 -10.189 -2.357 1.00 0.00 -0.229 NA ATOM 786 CA LEU A 104 4.079 -9.957 -3.740 1.00 0.00 0.184 C ATOM 787 C LEU A 104 3.924 -11.172 -4.652 1.00 0.00 0.256 C ATOM 788 O LEU A 104 3.342 -11.054 -5.736 1.00 0.00 -0.270 OA ATOM 789 CB LEU A 104 5.526 -9.475 -3.793 1.00 0.00 0.034 C ATOM 790 CG LEU A 104 6.030 -8.441 -4.803 1.00 0.00 0.002 C ATOM 791 CD1 LEU A 104 7.479 -8.762 -5.100 1.00 0.00 0.000 C ATOM 792 CD2 LEU A 104 5.251 -8.430 -6.068 1.00 0.00 0.000 C ATOM 793 N PRO A 105 4.418 -12.364 -4.229 1.00 0.00 -0.312 N ATOM 794 CA PRO A 105 4.253 -13.497 -5.148 1.00 0.00 0.165 C ATOM 795 C PRO A 105 2.818 -13.896 -5.522 1.00 0.00 0.272 C ATOM 796 O PRO A 105 2.592 -14.447 -6.584 1.00 0.00 -0.269 OA ATOM 797 CB PRO A 105 5.071 -14.619 -4.491 1.00 0.00 0.034 C ATOM 798 CG PRO A 105 5.286 -14.202 -3.104 1.00 0.00 0.027 C ATOM 799 CD PRO A 105 5.311 -12.709 -3.106 1.00 0.00 0.105 C ATOM 800 N TYR A 106 1.846 -13.533 -4.692 1.00 0.00 -0.228 NA ATOM 801 CA TYR A 106 0.444 -13.847 -4.938 1.00 0.00 0.191 C ATOM 802 C TYR A 106 -0.211 -12.772 -5.786 1.00 0.00 0.275 C ATOM 803 O TYR A 106 -1.327 -12.951 -6.260 1.00 0.00 -0.268 OA ATOM 804 CB TYR A 106 -0.313 -13.921 -3.609 1.00 0.00 0.060 C ATOM 805 CG TYR A 106 0.192 -14.985 -2.686 1.00 0.00 -0.020 A ATOM 806 CD1 TYR A 106 1.329 -14.779 -1.894 1.00 0.00 -0.002 A ATOM 807 CD2 TYR A 106 -0.403 -16.245 -2.674 1.00 0.00 -0.002 A ATOM 808 CE1 TYR A 106 1.870 -15.828 -1.121 1.00 0.00 0.027 A ATOM 809 CE2 TYR A 106 0.128 -17.292 -1.912 1.00 0.00 0.027 A ATOM 810 CZ TYR A 106 1.263 -17.084 -1.149 1.00 0.00 0.131 A ATOM 811 OH TYR A 106 1.816 -18.160 -0.486 1.00 0.00 -0.190 OA ATOM 812 N ALA A 107 0.501 -11.667 -5.984 1.00 0.00 -0.229 NA ATOM 813 CA ALA A 107 -0.020 -10.522 -6.724 1.00 0.00 0.186 C ATOM 814 C ALA A 107 0.081 -10.514 -8.251 1.00 0.00 0.274 C ATOM 815 O ALA A 107 1.050 -10.992 -8.828 1.00 0.00 -0.268 OA ATOM 816 CB ALA A 107 0.604 -9.242 -6.167 1.00 0.00 0.037 C ATOM 817 N THR A 108 -0.934 -9.936 -8.886 1.00 0.00 -0.226 NA ATOM 818 CA THR A 108 -0.972 -9.789 -10.332 1.00 0.00 0.216 C ATOM 819 C THR A 108 -1.245 -8.342 -10.703 1.00 0.00 0.277 C ATOM 820 O THR A 108 -1.366 -8.020 -11.876 1.00 0.00 -0.268 OA ATOM 821 CB THR A 108 -2.020 -10.685 -10.989 1.00 0.00 0.184 C ATOM 822 OG1 THR A 108 -3.235 -10.632 -10.243 1.00 0.00 -0.221 OA ATOM 823 CG2 THR A 108 -1.516 -12.129 -11.047 1.00 0.00 0.038 C ATOM 824 N ARG A 109 -1.342 -7.471 -9.701 1.00 0.00 -0.229 NA ATOM 825 CA ARG A 109 -1.564 -6.034 -9.912 1.00 0.00 0.186 C ATOM 826 C ARG A 109 -0.864 -5.196 -8.845 1.00 0.00 0.274 C ATOM 827 O ARG A 109 -0.805 -5.584 -7.677 1.00 0.00 -0.268 OA ATOM 828 CB ARG A 109 -3.063 -5.674 -9.881 1.00 0.00 0.036 C ATOM 829 CG ARG A 109 -3.816 -5.918 -11.163 1.00 0.00 0.029 C ATOM 830 CD ARG A 109 -5.182 -5.266 -11.109 1.00 0.00 0.145 C ATOM 831 NE ARG A 109 -5.137 -3.799 -11.111 1.00 0.00 -0.083 NA ATOM 832 CZ ARG A 109 -6.198 -3.011 -10.913 1.00 0.00 0.782 C ATOM 833 NH1 ARG A 109 -7.406 -3.532 -10.703 1.00 0.00 0.063 N ATOM 834 NH2 ARG A 109 -6.042 -1.698 -10.848 1.00 0.00 0.063 N ATOM 835 N CYS A 110 -0.318 -4.054 -9.260 1.00 0.00 -0.228 NA ATOM 836 CA CYS A 110 0.324 -3.116 -8.344 1.00 0.00 0.198 C ATOM 837 C CYS A 110 -0.106 -1.728 -8.763 1.00 0.00 0.275 C ATOM 838 O CYS A 110 -0.067 -1.409 -9.940 1.00 0.00 -0.268 OA ATOM 839 CB CYS A 110 1.845 -3.188 -8.421 1.00 0.00 0.103 C ATOM 840 SG CYS A 110 2.590 -4.558 -7.552 1.00 0.00 -0.080 SA ATOM 841 N GLU A 111 -0.565 -0.926 -7.810 1.00 0.00 -0.229 NA ATOM 842 CA GLU A 111 -0.968 0.459 -8.070 1.00 0.00 0.187 C ATOM 843 C GLU A 111 -0.006 1.265 -7.226 1.00 0.00 0.274 C ATOM 844 O GLU A 111 -0.045 1.236 -5.995 1.00 0.00 -0.268 OA ATOM 845 CB GLU A 111 -2.420 0.707 -7.663 1.00 0.00 0.045 C ATOM 846 CG GLU A 111 -3.431 0.052 -8.596 1.00 0.00 0.100 C ATOM 847 CD GLU A 111 -3.371 0.585 -10.039 1.00 0.00 0.185 C ATOM 848 OE1 GLU A 111 -2.892 1.719 -10.252 1.00 0.00 -0.647 OA ATOM 849 OE2 GLU A 111 -3.815 -0.132 -10.960 1.00 0.00 -0.647 OA ATOM 850 N VAL A 112 0.886 1.964 -7.910 1.00 0.00 -0.229 NA ATOM 851 CA VAL A 112 1.950 2.703 -7.257 1.00 0.00 0.186 C ATOM 852 C VAL A 112 1.936 4.199 -7.480 1.00 0.00 0.274 C ATOM 853 O VAL A 112 1.686 4.675 -8.588 1.00 0.00 -0.268 OA ATOM 854 CB VAL A 112 3.320 2.173 -7.757 1.00 0.00 0.032 C ATOM 855 CG1 VAL A 112 4.485 2.886 -7.050 1.00 0.00 0.003 C ATOM 856 CG2 VAL A 112 3.397 0.645 -7.589 1.00 0.00 0.003 C ATOM 857 N THR A 113 2.250 4.933 -6.421 1.00 0.00 -0.226 NA ATOM 858 CA THR A 113 2.326 6.382 -6.494 1.00 0.00 0.216 C ATOM 859 C THR A 113 3.775 6.733 -6.215 1.00 0.00 0.277 C ATOM 860 O THR A 113 4.294 6.386 -5.157 1.00 0.00 -0.268 OA ATOM 861 CB THR A 113 1.450 7.040 -5.415 1.00 0.00 0.184 C ATOM 862 OG1 THR A 113 0.076 6.739 -5.670 1.00 0.00 -0.221 OA ATOM 863 CG2 THR A 113 1.653 8.558 -5.396 1.00 0.00 0.038 C ATOM 864 N GLU A 114 4.460 7.349 -7.178 1.00 0.00 -0.229 NA ATOM 865 CA GLU A 114 5.842 7.752 -6.930 1.00 0.00 0.187 C ATOM 866 C GLU A 114 5.846 9.221 -6.507 1.00 0.00 0.274 C ATOM 867 O GLU A 114 5.254 10.064 -7.189 1.00 0.00 -0.268 OA ATOM 868 CB GLU A 114 6.712 7.585 -8.166 1.00 0.00 0.045 C ATOM 869 CG GLU A 114 8.168 7.951 -7.888 1.00 0.00 0.100 C ATOM 870 CD GLU A 114 9.042 8.012 -9.134 1.00 0.00 0.185 C ATOM 871 OE1 GLU A 114 8.547 7.750 -10.250 1.00 0.00 -0.647 OA ATOM 872 OE2 GLU A 114 10.242 8.332 -8.995 1.00 0.00 -0.647 OA ATOM 873 N VAL A 115 6.474 9.505 -5.365 1.00 0.00 -0.229 NA ATOM 874 CA VAL A 115 6.584 10.855 -4.828 1.00 0.00 0.186 C ATOM 875 C VAL A 115 8.000 11.383 -5.091 1.00 0.00 0.274 C ATOM 876 O VAL A 115 8.995 10.803 -4.650 1.00 0.00 -0.268 OA ATOM 877 CB VAL A 115 6.260 10.879 -3.330 1.00 0.00 0.032 C ATOM 878 CG1 VAL A 115 6.280 12.310 -2.791 1.00 0.00 0.003 C ATOM 879 CG2 VAL A 115 4.902 10.273 -3.105 1.00 0.00 0.003 C ATOM 880 N ASP A 116 8.076 12.467 -5.858 1.00 0.00 -0.228 NA ATOM 881 CA ASP A 116 9.348 13.079 -6.221 1.00 0.00 0.197 C ATOM 882 C ASP A 116 9.914 13.906 -5.065 1.00 0.00 0.275 C ATOM 883 O ASP A 116 9.948 15.137 -5.109 1.00 0.00 -0.268 OA ATOM 884 CB ASP A 116 9.147 13.935 -7.472 1.00 0.00 0.132 C ATOM 885 CG ASP A 116 10.450 14.425 -8.082 1.00 0.00 0.188 C ATOM 886 OD1 ASP A 116 11.541 14.097 -7.581 1.00 0.00 -0.647 OA ATOM 887 OD2 ASP A 116 10.378 15.162 -9.082 1.00 0.00 -0.647 OA ATOM 888 N ILE A 117 10.376 13.207 -4.034 1.00 0.00 -0.229 NA ATOM 889 CA ILE A 117 10.947 13.838 -2.850 1.00 0.00 0.186 C ATOM 890 C ILE A 117 12.326 13.221 -2.584 1.00 0.00 0.274 C ATOM 891 O ILE A 117 12.537 12.035 -2.846 1.00 0.00 -0.268 OA ATOM 892 CB ILE A 117 10.022 13.615 -1.631 1.00 0.00 0.032 C ATOM 893 CG1 ILE A 117 10.591 14.288 -0.386 1.00 0.00 0.002 C ATOM 894 CG2 ILE A 117 9.804 12.105 -1.380 1.00 0.00 0.003 C ATOM 895 CD1 ILE A 117 9.731 14.076 0.851 1.00 0.00 0.000 C ATOM 896 N GLY A 118 13.274 14.044 -2.142 1.00 0.00 -0.226 NA ATOM 897 CA GLY A 118 14.614 13.557 -1.840 1.00 0.00 0.218 C ATOM 898 C GLY A 118 14.573 12.932 -0.468 1.00 0.00 0.277 C ATOM 899 O GLY A 118 14.466 13.631 0.533 1.00 0.00 -0.268 OA ATOM 900 N LEU A 119 14.680 11.611 -0.414 1.00 0.00 -0.229 NA ATOM 901 CA LEU A 119 14.581 10.903 0.856 1.00 0.00 0.184 C ATOM 902 C LEU A 119 15.355 9.590 0.793 1.00 0.00 0.256 C ATOM 903 O LEU A 119 14.763 8.521 0.684 1.00 0.00 -0.270 OA ATOM 904 CB LEU A 119 13.096 10.615 1.122 1.00 0.00 0.034 C ATOM 905 CG LEU A 119 12.531 10.508 2.535 1.00 0.00 0.002 C ATOM 906 CD1 LEU A 119 12.711 11.837 3.243 1.00 0.00 0.000 C ATOM 907 CD2 LEU A 119 11.053 10.139 2.455 1.00 0.00 0.000 C ATOM 908 N PRO A 120 16.693 9.657 0.840 1.00 0.00 -0.312 N ATOM 909 CA PRO A 120 17.548 8.461 0.788 1.00 0.00 0.165 C ATOM 910 C PRO A 120 17.163 7.443 1.864 1.00 0.00 0.272 C ATOM 911 O PRO A 120 16.686 7.823 2.940 1.00 0.00 -0.269 OA ATOM 912 CB PRO A 120 18.941 9.040 1.040 1.00 0.00 0.034 C ATOM 913 CG PRO A 120 18.851 10.414 0.431 1.00 0.00 0.027 C ATOM 914 CD PRO A 120 17.504 10.885 0.924 1.00 0.00 0.105 C ATOM 915 N ARG A 121 17.358 6.157 1.577 1.00 0.00 -0.229 NA ATOM 916 CA ARG A 121 17.019 5.108 2.537 1.00 0.00 0.186 C ATOM 917 C ARG A 121 17.898 5.226 3.759 1.00 0.00 0.274 C ATOM 918 O ARG A 121 19.066 5.586 3.661 1.00 0.00 -0.268 OA ATOM 919 CB ARG A 121 17.255 3.702 1.973 1.00 0.00 0.036 C ATOM 920 CG ARG A 121 16.642 3.391 0.625 1.00 0.00 0.029 C ATOM 921 CD ARG A 121 17.323 2.150 0.014 1.00 0.00 0.145 C ATOM 922 NE ARG A 121 17.316 2.135 -1.453 1.00 0.00 -0.083 NA ATOM 923 CZ ARG A 121 17.717 3.145 -2.236 1.00 0.00 0.782 C ATOM 924 NH1 ARG A 121 18.167 4.289 -1.717 1.00 0.00 0.063 N ATOM 925 NH2 ARG A 121 17.674 3.011 -3.558 1.00 0.00 0.063 N ATOM 926 N GLU A 122 17.322 4.896 4.904 1.00 0.00 -0.229 NA ATOM 927 CA GLU A 122 18.017 4.887 6.173 1.00 0.00 0.187 C ATOM 928 C GLU A 122 17.719 3.524 6.771 1.00 0.00 0.274 C ATOM 929 O GLU A 122 16.665 2.952 6.515 1.00 0.00 -0.268 OA ATOM 930 CB GLU A 122 17.499 5.996 7.080 1.00 0.00 0.045 C ATOM 931 CG GLU A 122 18.024 7.358 6.694 1.00 0.00 0.100 C ATOM 932 CD GLU A 122 17.303 8.496 7.380 1.00 0.00 0.185 C ATOM 933 OE1 GLU A 122 17.475 9.642 6.927 1.00 0.00 -0.647 OA ATOM 934 OE2 GLU A 122 16.552 8.264 8.350 1.00 0.00 -0.647 OA ATOM 935 N ALA A 123 18.659 2.988 7.539 1.00 0.00 -0.229 NA ATOM 936 CA ALA A 123 18.494 1.682 8.160 1.00 0.00 0.186 C ATOM 937 C ALA A 123 17.209 1.614 8.962 1.00 0.00 0.274 C ATOM 938 O ALA A 123 16.914 2.516 9.738 1.00 0.00 -0.268 OA ATOM 939 CB ALA A 123 19.660 1.393 9.060 1.00 0.00 0.037 C ATOM 940 N GLY A 124 16.431 0.561 8.756 1.00 0.00 -0.226 NA ATOM 941 CA GLY A 124 15.198 0.425 9.505 1.00 0.00 0.218 C ATOM 942 C GLY A 124 13.936 0.962 8.866 1.00 0.00 0.277 C ATOM 943 O GLY A 124 12.855 0.763 9.414 1.00 0.00 -0.268 OA ATOM 944 N ASP A 125 14.056 1.632 7.721 1.00 0.00 -0.228 NA ATOM 945 CA ASP A 125 12.905 2.200 7.006 1.00 0.00 0.197 C ATOM 946 C ASP A 125 12.052 1.107 6.406 1.00 0.00 0.275 C ATOM 947 O ASP A 125 12.560 0.040 6.085 1.00 0.00 -0.268 OA ATOM 948 CB ASP A 125 13.369 3.032 5.802 1.00 0.00 0.132 C ATOM 949 CG ASP A 125 13.855 4.413 6.174 1.00 0.00 0.188 C ATOM 950 OD1 ASP A 125 13.781 4.828 7.345 1.00 0.00 -0.647 OA ATOM 951 OD2 ASP A 125 14.319 5.093 5.250 1.00 0.00 -0.647 OA ATOM 952 N ALA A 126 10.768 1.386 6.212 1.00 0.00 -0.229 NA ATOM 953 CA ALA A 126 9.892 0.429 5.548 1.00 0.00 0.186 C ATOM 954 C ALA A 126 10.125 0.742 4.061 1.00 0.00 0.274 C ATOM 955 O ALA A 126 10.179 1.916 3.663 1.00 0.00 -0.268 OA ATOM 956 CB ALA A 126 8.433 0.666 5.936 1.00 0.00 0.037 C ATOM 957 N LEU A 127 10.343 -0.297 3.260 1.00 0.00 -0.229 NA ATOM 958 CA LEU A 127 10.599 -0.117 1.842 1.00 0.00 0.186 C ATOM 959 C LEU A 127 9.588 -0.810 0.976 1.00 0.00 0.274 C ATOM 960 O LEU A 127 9.004 -1.815 1.354 1.00 0.00 -0.268 OA ATOM 961 CB LEU A 127 11.983 -0.653 1.477 1.00 0.00 0.034 C ATOM 962 CG LEU A 127 13.172 -0.072 2.242 1.00 0.00 0.002 C ATOM 963 CD1 LEU A 127 14.415 -0.859 1.917 1.00 0.00 0.000 C ATOM 964 CD2 LEU A 127 13.344 1.382 1.878 1.00 0.00 0.000 C ATOM 965 N ALA A 128 9.429 -0.283 -0.226 1.00 0.00 -0.229 NA ATOM 966 CA ALA A 128 8.505 -0.830 -1.206 1.00 0.00 0.185 C ATOM 967 C ALA A 128 9.127 -2.073 -1.844 1.00 0.00 0.256 C ATOM 968 O ALA A 128 10.356 -2.229 -1.851 1.00 0.00 -0.270 OA ATOM 969 CB ALA A 128 8.241 0.212 -2.268 1.00 0.00 0.037 C ATOM 970 N PRO A 129 8.292 -3.006 -2.333 1.00 0.00 -0.312 N ATOM 971 CA PRO A 129 8.858 -4.202 -2.959 1.00 0.00 0.165 C ATOM 972 C PRO A 129 9.407 -3.832 -4.339 1.00 0.00 0.272 C ATOM 973 O PRO A 129 8.961 -2.857 -4.947 1.00 0.00 -0.269 OA ATOM 974 CB PRO A 129 7.649 -5.130 -3.055 1.00 0.00 0.034 C ATOM 975 CG PRO A 129 6.516 -4.183 -3.247 1.00 0.00 0.027 C ATOM 976 CD PRO A 129 6.823 -3.096 -2.252 1.00 0.00 0.105 C ATOM 977 N VAL A 130 10.433 -4.552 -4.795 1.00 0.00 -0.229 NA ATOM 978 CA VAL A 130 11.017 -4.279 -6.108 1.00 0.00 0.186 C ATOM 979 C VAL A 130 10.292 -5.126 -7.140 1.00 0.00 0.274 C ATOM 980 O VAL A 130 10.098 -6.319 -6.932 1.00 0.00 -0.268 OA ATOM 981 CB VAL A 130 12.525 -4.613 -6.169 1.00 0.00 0.032 C ATOM 982 CG1 VAL A 130 13.093 -4.182 -7.525 1.00 0.00 0.003 C ATOM 983 CG2 VAL A 130 13.273 -3.896 -5.048 1.00 0.00 0.003 C ATOM 984 N LEU A 131 9.849 -4.489 -8.219 1.00 0.00 -0.229 NA ATOM 985 CA LEU A 131 9.134 -5.182 -9.277 1.00 0.00 0.186 C ATOM 986 C LEU A 131 10.103 -5.605 -10.373 1.00 0.00 0.274 C ATOM 987 O LEU A 131 10.759 -4.772 -11.000 1.00 0.00 -0.268 OA ATOM 988 CB LEU A 131 8.019 -4.297 -9.842 1.00 0.00 0.034 C ATOM 989 CG LEU A 131 7.028 -3.761 -8.800 1.00 0.00 0.002 C ATOM 990 CD1 LEU A 131 5.901 -3.052 -9.496 1.00 0.00 0.000 C ATOM 991 CD2 LEU A 131 6.488 -4.882 -7.946 1.00 0.00 0.000 C ATOM 992 N ASP A 132 10.242 -6.914 -10.544 1.00 0.00 -0.228 NA ATOM 993 CA ASP A 132 11.139 -7.447 -11.556 1.00 0.00 0.197 C ATOM 994 C ASP A 132 10.514 -7.379 -12.950 1.00 0.00 0.275 C ATOM 995 O ASP A 132 9.450 -6.783 -13.132 1.00 0.00 -0.268 OA ATOM 996 CB ASP A 132 11.580 -8.867 -11.194 1.00 0.00 0.132 C ATOM 997 CG ASP A 132 10.433 -9.865 -11.181 1.00 0.00 0.188 C ATOM 998 OD1 ASP A 132 10.629 -10.970 -10.635 1.00 0.00 -0.647 OA ATOM 999 OD2 ASP A 132 9.343 -9.576 -11.717 1.00 0.00 -0.647 OA ATOM 1000 N GLU A 133 11.137 -8.042 -13.920 1.00 0.00 -0.229 NA ATOM 1001 CA GLU A 133 10.622 -7.982 -15.272 1.00 0.00 0.187 C ATOM 1002 C GLU A 133 9.421 -8.837 -15.618 1.00 0.00 0.274 C ATOM 1003 O GLU A 133 9.065 -8.926 -16.783 1.00 0.00 -0.268 OA ATOM 1004 CB GLU A 133 11.740 -8.134 -16.304 1.00 0.00 0.045 C ATOM 1005 CG GLU A 133 11.960 -6.869 -17.171 1.00 0.00 0.100 C ATOM 1006 CD GLU A 133 10.889 -6.672 -18.276 1.00 0.00 0.185 C ATOM 1007 OE1 GLU A 133 9.817 -6.067 -17.993 1.00 0.00 -0.647 OA ATOM 1008 OE2 GLU A 133 11.128 -7.114 -19.436 1.00 0.00 -0.647 OA ATOM 1009 N THR A 134 8.775 -9.446 -14.623 1.00 0.00 -0.226 NA ATOM 1010 CA THR A 134 7.565 -10.228 -14.898 1.00 0.00 0.216 C ATOM 1011 C THR A 134 6.405 -9.236 -15.006 1.00 0.00 0.277 C ATOM 1012 O THR A 134 5.350 -9.541 -15.569 1.00 0.00 -0.268 OA ATOM 1013 CB THR A 134 7.241 -11.272 -13.784 1.00 0.00 0.184 C ATOM 1014 OG1 THR A 134 7.174 -10.640 -12.496 1.00 0.00 -0.221 OA ATOM 1015 CG2 THR A 134 8.288 -12.354 -13.756 1.00 0.00 0.038 C ATOM 1016 N TRP A 135 6.651 -8.020 -14.516 1.00 0.00 -0.228 NA ATOM 1017 CA TRP A 135 5.669 -6.943 -14.495 1.00 0.00 0.191 C ATOM 1018 C TRP A 135 5.685 -6.022 -15.704 1.00 0.00 0.275 C ATOM 1019 O TRP A 135 6.748 -5.619 -16.170 1.00 0.00 -0.268 OA ATOM 1020 CB TRP A 135 5.891 -6.094 -13.247 1.00 0.00 0.062 C ATOM 1021 CG TRP A 135 5.656 -6.832 -11.967 1.00 0.00 0.001 A ATOM 1022 CD1 TRP A 135 6.596 -7.416 -11.167 1.00 0.00 0.095 A ATOM 1023 CD2 TRP A 135 4.400 -7.011 -11.307 1.00 0.00 0.015 A ATOM 1024 NE1 TRP A 135 6.003 -7.938 -10.044 1.00 0.00 -0.244 NA ATOM 1025 CE2 TRP A 135 4.654 -7.701 -10.105 1.00 0.00 0.081 A ATOM 1026 CE3 TRP A 135 3.080 -6.646 -11.611 1.00 0.00 0.001 A ATOM 1027 CZ2 TRP A 135 3.639 -8.033 -9.205 1.00 0.00 0.019 A ATOM 1028 CZ3 TRP A 135 2.074 -6.976 -10.716 1.00 0.00 0.000 A ATOM 1029 CH2 TRP A 135 2.359 -7.663 -9.528 1.00 0.00 0.002 A ATOM 1030 N ARG A 136 4.497 -5.675 -16.188 1.00 0.00 -0.229 NA ATOM 1031 CA ARG A 136 4.332 -4.750 -17.309 1.00 0.00 0.186 C ATOM 1032 C ARG A 136 3.676 -3.501 -16.722 1.00 0.00 0.274 C ATOM 1033 O ARG A 136 2.680 -3.609 -16.004 1.00 0.00 -0.268 OA ATOM 1034 CB ARG A 136 3.393 -5.332 -18.371 1.00 0.00 0.036 C ATOM 1035 CG ARG A 136 3.955 -6.493 -19.180 1.00 0.00 0.029 C ATOM 1036 CD ARG A 136 3.807 -7.829 -18.453 1.00 0.00 0.145 C ATOM 1037 NE ARG A 136 2.405 -8.195 -18.226 1.00 0.00 -0.083 NA ATOM 1038 CZ ARG A 136 1.722 -9.078 -18.959 1.00 0.00 0.782 C ATOM 1039 NH1 ARG A 136 2.310 -9.695 -19.982 1.00 0.00 0.063 N ATOM 1040 NH2 ARG A 136 0.455 -9.367 -18.652 1.00 0.00 0.063 N ATOM 1041 N GLY A 137 4.192 -2.318 -17.032 1.00 0.00 -0.226 NA ATOM 1042 CA GLY A 137 3.575 -1.127 -16.474 1.00 0.00 0.218 C ATOM 1043 C GLY A 137 3.272 0.049 -17.386 1.00 0.00 0.277 C ATOM 1044 O GLY A 137 3.739 0.110 -18.520 1.00 0.00 -0.268 OA ATOM 1045 N GLU A 138 2.428 0.954 -16.892 1.00 0.00 -0.229 NA ATOM 1046 CA GLU A 138 2.061 2.179 -17.603 1.00 0.00 0.187 C ATOM 1047 C GLU A 138 2.295 3.306 -16.628 1.00 0.00 0.274 C ATOM 1048 O GLU A 138 1.770 3.286 -15.521 1.00 0.00 -0.268 OA ATOM 1049 CB GLU A 138 0.591 2.204 -18.014 1.00 0.00 0.045 C ATOM 1050 CG GLU A 138 0.143 1.014 -18.794 1.00 0.00 0.100 C ATOM 1051 CD GLU A 138 -0.638 0.069 -17.923 1.00 0.00 0.185 C ATOM 1052 OE1 GLU A 138 -0.100 -1.010 -17.568 1.00 0.00 -0.647 OA ATOM 1053 OE2 GLU A 138 -1.787 0.433 -17.571 1.00 0.00 -0.647 OA ATOM 1054 N THR A 139 3.092 4.279 -17.051 1.00 0.00 -0.226 NA ATOM 1055 CA THR A 139 3.432 5.435 -16.238 1.00 0.00 0.216 C ATOM 1056 C THR A 139 2.562 6.631 -16.593 1.00 0.00 0.277 C ATOM 1057 O THR A 139 2.492 7.021 -17.758 1.00 0.00 -0.268 OA ATOM 1058 CB THR A 139 4.883 5.844 -16.474 1.00 0.00 0.184 C ATOM 1059 OG1 THR A 139 5.706 4.672 -16.522 1.00 0.00 -0.221 OA ATOM 1060 CG2 THR A 139 5.361 6.738 -15.355 1.00 0.00 0.038 C ATOM 1061 N GLY A 140 1.903 7.203 -15.588 1.00 0.00 -0.226 NA ATOM 1062 CA GLY A 140 1.067 8.368 -15.804 1.00 0.00 0.218 C ATOM 1063 C GLY A 140 1.920 9.620 -15.839 1.00 0.00 0.277 C ATOM 1064 O GLY A 140 3.127 9.553 -15.641 1.00 0.00 -0.268 OA ATOM 1065 N GLU A 141 1.293 10.766 -16.070 1.00 0.00 -0.229 NA ATOM 1066 CA GLU A 141 2.012 12.031 -16.141 1.00 0.00 0.187 C ATOM 1067 C GLU A 141 2.264 12.626 -14.778 1.00 0.00 0.274 C ATOM 1068 O GLU A 141 1.414 12.541 -13.901 1.00 0.00 -0.268 OA ATOM 1069 CB GLU A 141 1.232 13.042 -16.983 1.00 0.00 0.045 C ATOM 1070 CG GLU A 141 1.127 12.675 -18.468 1.00 0.00 0.100 C ATOM 1071 CD GLU A 141 2.486 12.537 -19.158 1.00 0.00 0.185 C ATOM 1072 OE1 GLU A 141 2.698 11.511 -19.846 1.00 0.00 -0.647 OA ATOM 1073 OE2 GLU A 141 3.340 13.446 -19.019 1.00 0.00 -0.647 OA ATOM 1074 N TRP A 142 3.437 13.226 -14.603 1.00 0.00 -0.228 NA ATOM 1075 CA TRP A 142 3.771 13.864 -13.341 1.00 0.00 0.191 C ATOM 1076 C TRP A 142 2.756 14.987 -13.098 1.00 0.00 0.275 C ATOM 1077 O TRP A 142 2.270 15.606 -14.042 1.00 0.00 -0.268 OA ATOM 1078 CB TRP A 142 5.178 14.463 -13.385 1.00 0.00 0.062 C ATOM 1079 CG TRP A 142 6.325 13.494 -13.254 1.00 0.00 0.001 A ATOM 1080 CD1 TRP A 142 7.202 13.135 -14.236 1.00 0.00 0.095 A ATOM 1081 CD2 TRP A 142 6.801 12.862 -12.050 1.00 0.00 0.015 A ATOM 1082 NE1 TRP A 142 8.201 12.332 -13.723 1.00 0.00 -0.244 NA ATOM 1083 CE2 TRP A 142 7.978 12.150 -12.386 1.00 0.00 0.081 A ATOM 1084 CE3 TRP A 142 6.354 12.839 -10.723 1.00 0.00 0.001 A ATOM 1085 CZ2 TRP A 142 8.710 11.422 -11.444 1.00 0.00 0.019 A ATOM 1086 CZ3 TRP A 142 7.082 12.116 -9.784 1.00 0.00 0.000 A ATOM 1087 CH2 TRP A 142 8.248 11.416 -10.152 1.00 0.00 0.002 A ATOM 1088 N ARG A 143 2.407 15.215 -11.839 1.00 0.00 -0.229 NA ATOM 1089 CA ARG A 143 1.460 16.260 -11.473 1.00 0.00 0.186 C ATOM 1090 C ARG A 143 2.019 16.926 -10.226 1.00 0.00 0.274 C ATOM 1091 O ARG A 143 2.871 16.359 -9.549 1.00 0.00 -0.268 OA ATOM 1092 CB ARG A 143 0.074 15.668 -11.142 1.00 0.00 0.036 C ATOM 1093 CG ARG A 143 -0.463 14.584 -12.102 1.00 0.00 0.029 C ATOM 1094 CD ARG A 143 -1.877 14.118 -11.684 1.00 0.00 0.145 C ATOM 1095 NE ARG A 143 -2.332 12.898 -12.377 1.00 0.00 -0.083 NA ATOM 1096 CZ ARG A 143 -3.182 11.997 -11.860 1.00 0.00 0.782 C ATOM 1097 NH1 ARG A 143 -3.686 12.166 -10.635 1.00 0.00 0.063 N ATOM 1098 NH2 ARG A 143 -3.542 10.923 -12.566 1.00 0.00 0.063 N ATOM 1099 N PHE A 144 1.579 18.145 -9.940 1.00 0.00 -0.228 NA ATOM 1100 CA PHE A 144 2.022 18.831 -8.733 1.00 0.00 0.191 C ATOM 1101 C PHE A 144 0.923 18.777 -7.673 1.00 0.00 0.275 C ATOM 1102 O PHE A 144 -0.218 19.157 -7.918 1.00 0.00 -0.268 OA ATOM 1103 CB PHE A 144 2.374 20.311 -9.009 1.00 0.00 0.060 C ATOM 1104 CG PHE A 144 3.851 20.572 -9.211 1.00 0.00 -0.020 A ATOM 1105 CD1 PHE A 144 4.348 20.885 -10.466 1.00 0.00 -0.004 A ATOM 1106 CD2 PHE A 144 4.735 20.516 -8.141 1.00 0.00 -0.004 A ATOM 1107 CE1 PHE A 144 5.696 21.137 -10.651 1.00 0.00 -0.000 A ATOM 1108 CE2 PHE A 144 6.087 20.767 -8.317 1.00 0.00 -0.000 A ATOM 1109 CZ PHE A 144 6.569 21.078 -9.575 1.00 0.00 -0.000 A ATOM 1110 N SER A 145 1.278 18.283 -6.498 1.00 0.00 -0.226 NA ATOM 1111 CA SER A 145 0.366 18.213 -5.366 1.00 0.00 0.219 C ATOM 1112 C SER A 145 0.286 19.615 -4.778 1.00 0.00 0.277 C ATOM 1113 O SER A 145 1.195 20.421 -4.986 1.00 0.00 -0.268 OA ATOM 1114 CB SER A 145 0.973 17.294 -4.317 1.00 0.00 0.216 C ATOM 1115 OG SER A 145 0.492 17.604 -3.029 1.00 0.00 -0.218 OA ATOM 1116 N ARG A 146 -0.762 19.921 -4.021 1.00 0.00 -0.229 NA ATOM 1117 CA ARG A 146 -0.799 21.248 -3.427 1.00 0.00 0.186 C ATOM 1118 C ARG A 146 0.220 21.336 -2.292 1.00 0.00 0.274 C ATOM 1119 O ARG A 146 0.482 22.417 -1.779 1.00 0.00 -0.268 OA ATOM 1120 CB ARG A 146 -2.193 21.651 -2.963 1.00 0.00 0.036 C ATOM 1121 CG ARG A 146 -2.663 21.015 -1.707 1.00 0.00 0.029 C ATOM 1122 CD ARG A 146 -4.070 20.505 -1.938 1.00 0.00 0.145 C ATOM 1123 NE ARG A 146 -4.755 20.213 -0.684 1.00 0.00 -0.083 NA ATOM 1124 CZ ARG A 146 -5.723 19.315 -0.550 1.00 0.00 0.782 C ATOM 1125 NH1 ARG A 146 -6.134 18.594 -1.599 1.00 0.00 0.063 N ATOM 1126 NH2 ARG A 146 -6.286 19.152 0.641 1.00 0.00 0.063 N ATOM 1127 N SER A 147 0.806 20.202 -1.907 1.00 0.00 -0.226 NA ATOM 1128 CA SER A 147 1.845 20.203 -0.873 1.00 0.00 0.219 C ATOM 1129 C SER A 147 3.164 20.650 -1.551 1.00 0.00 0.277 C ATOM 1130 O SER A 147 4.181 20.892 -0.889 1.00 0.00 -0.268 OA ATOM 1131 CB SER A 147 2.008 18.810 -0.246 1.00 0.00 0.216 C ATOM 1132 OG SER A 147 2.525 17.870 -1.180 1.00 0.00 -0.218 OA ATOM 1133 N GLY A 148 3.128 20.769 -2.877 1.00 0.00 -0.226 NA ATOM 1134 CA GLY A 148 4.297 21.190 -3.613 1.00 0.00 0.218 C ATOM 1135 C GLY A 148 5.119 20.048 -4.153 1.00 0.00 0.277 C ATOM 1136 O GLY A 148 6.060 20.269 -4.910 1.00 0.00 -0.268 OA ATOM 1137 N LEU A 149 4.784 18.824 -3.766 1.00 0.00 -0.229 NA ATOM 1138 CA LEU A 149 5.528 17.668 -4.241 1.00 0.00 0.186 C ATOM 1139 C LEU A 149 4.998 17.202 -5.569 1.00 0.00 0.274 C ATOM 1140 O LEU A 149 3.799 17.207 -5.810 1.00 0.00 -0.268 OA ATOM 1141 CB LEU A 149 5.445 16.526 -3.233 1.00 0.00 0.034 C ATOM 1142 CG LEU A 149 6.132 16.756 -1.895 1.00 0.00 0.002 C ATOM 1143 CD1 LEU A 149 5.898 15.562 -1.020 1.00 0.00 0.000 C ATOM 1144 CD2 LEU A 149 7.616 16.972 -2.084 1.00 0.00 0.000 C ATOM 1145 N ARG A 150 5.905 16.830 -6.453 1.00 0.00 -0.229 NA ATOM 1146 CA ARG A 150 5.514 16.318 -7.759 1.00 0.00 0.186 C ATOM 1147 C ARG A 150 5.277 14.815 -7.539 1.00 0.00 0.274 C ATOM 1148 O ARG A 150 5.957 14.198 -6.723 1.00 0.00 -0.268 OA ATOM 1149 CB ARG A 150 6.665 16.550 -8.733 1.00 0.00 0.036 C ATOM 1150 CG ARG A 150 6.272 16.927 -10.136 1.00 0.00 0.029 C ATOM 1151 CD ARG A 150 7.485 17.466 -10.890 1.00 0.00 0.145 C ATOM 1152 NE ARG A 150 8.546 16.467 -10.959 1.00 0.00 -0.083 NA ATOM 1153 CZ ARG A 150 8.910 15.824 -12.063 1.00 0.00 0.782 C ATOM 1154 NH1 ARG A 150 8.307 16.073 -13.218 1.00 0.00 0.063 N ATOM 1155 NH2 ARG A 150 9.851 14.899 -12.000 1.00 0.00 0.063 N ATOM 1156 N TYR A 151 4.285 14.236 -8.201 1.00 0.00 -0.228 NA ATOM 1157 CA TYR A 151 4.018 12.810 -8.047 1.00 0.00 0.191 C ATOM 1158 C TYR A 151 3.398 12.249 -9.316 1.00 0.00 0.275 C ATOM 1159 O TYR A 151 2.906 13.002 -10.158 1.00 0.00 -0.268 OA ATOM 1160 CB TYR A 151 3.069 12.552 -6.868 1.00 0.00 0.060 C ATOM 1161 CG TYR A 151 1.659 13.033 -7.111 1.00 0.00 -0.020 A ATOM 1162 CD1 TYR A 151 0.682 12.173 -7.608 1.00 0.00 -0.002 A ATOM 1163 CD2 TYR A 151 1.309 14.368 -6.890 1.00 0.00 -0.002 A ATOM 1164 CE1 TYR A 151 -0.609 12.633 -7.887 1.00 0.00 0.027 A ATOM 1165 CE2 TYR A 151 0.019 14.837 -7.165 1.00 0.00 0.027 A ATOM 1166 CZ TYR A 151 -0.931 13.965 -7.665 1.00 0.00 0.131 A ATOM 1167 OH TYR A 151 -2.195 14.430 -7.961 1.00 0.00 -0.190 OA ATOM 1168 N ARG A 152 3.474 10.931 -9.471 1.00 0.00 -0.229 NA ATOM 1169 CA ARG A 152 2.865 10.259 -10.606 1.00 0.00 0.186 C ATOM 1170 C ARG A 152 2.418 8.866 -10.230 1.00 0.00 0.274 C ATOM 1171 O ARG A 152 2.920 8.270 -9.286 1.00 0.00 -0.268 OA ATOM 1172 CB ARG A 152 3.769 10.228 -11.833 1.00 0.00 0.036 C ATOM 1173 CG ARG A 152 5.071 9.525 -11.670 1.00 0.00 0.029 C ATOM 1174 CD ARG A 152 5.712 9.376 -13.022 1.00 0.00 0.145 C ATOM 1175 NE ARG A 152 7.075 8.903 -12.881 1.00 0.00 -0.083 NA ATOM 1176 CZ ARG A 152 7.970 8.871 -13.863 1.00 0.00 0.782 C ATOM 1177 NH1 ARG A 152 7.640 9.280 -15.077 1.00 0.00 0.063 N ATOM 1178 NH2 ARG A 152 9.217 8.491 -13.606 1.00 0.00 0.063 N ATOM 1179 N LEU A 153 1.430 8.376 -10.964 1.00 0.00 -0.229 NA ATOM 1180 CA LEU A 153 0.860 7.069 -10.718 1.00 0.00 0.186 C ATOM 1181 C LEU A 153 1.334 6.056 -11.743 1.00 0.00 0.274 C ATOM 1182 O LEU A 153 1.555 6.387 -12.906 1.00 0.00 -0.268 OA ATOM 1183 CB LEU A 153 -0.668 7.153 -10.739 1.00 0.00 0.034 C ATOM 1184 CG LEU A 153 -1.325 8.282 -9.924 1.00 0.00 0.002 C ATOM 1185 CD1 LEU A 153 -2.852 8.179 -10.009 1.00 0.00 0.000 C ATOM 1186 CD2 LEU A 153 -0.877 8.258 -8.477 1.00 0.00 0.000 C ATOM 1187 N TYR A 154 1.539 4.829 -11.278 1.00 0.00 -0.228 NA ATOM 1188 CA TYR A 154 1.967 3.710 -12.111 1.00 0.00 0.191 C ATOM 1189 C TYR A 154 0.965 2.580 -11.938 1.00 0.00 0.275 C ATOM 1190 O TYR A 154 0.433 2.366 -10.851 1.00 0.00 -0.268 OA ATOM 1191 CB TYR A 154 3.305 3.163 -11.635 1.00 0.00 0.060 C ATOM 1192 CG TYR A 154 4.537 3.955 -11.965 1.00 0.00 -0.020 A ATOM 1193 CD1 TYR A 154 4.975 4.978 -11.128 1.00 0.00 -0.002 A ATOM 1194 CD2 TYR A 154 5.339 3.596 -13.054 1.00 0.00 -0.002 A ATOM 1195 CE1 TYR A 154 6.191 5.617 -11.359 1.00 0.00 0.027 A ATOM 1196 CE2 TYR A 154 6.545 4.224 -13.295 1.00 0.00 0.027 A ATOM 1197 CZ TYR A 154 6.975 5.229 -12.446 1.00 0.00 0.131 A ATOM 1198 OH TYR A 154 8.204 5.818 -12.655 1.00 0.00 -0.190 OA ATOM 1199 N SER A 155 0.734 1.829 -13.003 1.00 0.00 -0.226 NA ATOM 1200 CA SER A 155 -0.163 0.691 -12.954 1.00 0.00 0.219 C ATOM 1201 C SER A 155 0.575 -0.478 -13.564 1.00 0.00 0.277 C ATOM 1202 O SER A 155 1.016 -0.416 -14.711 1.00 0.00 -0.268 OA ATOM 1203 CB SER A 155 -1.441 0.973 -13.724 1.00 0.00 0.216 C ATOM 1204 OG SER A 155 -2.278 1.811 -12.958 1.00 0.00 -0.218 OA ATOM 1205 N TYR A 156 0.773 -1.512 -12.756 1.00 0.00 -0.228 NA ATOM 1206 CA TYR A 156 1.478 -2.701 -13.189 1.00 0.00 0.191 C ATOM 1207 C TYR A 156 0.574 -3.894 -13.118 1.00 0.00 0.275 C ATOM 1208 O TYR A 156 -0.313 -3.974 -12.265 1.00 0.00 -0.268 OA ATOM 1209 CB TYR A 156 2.655 -2.988 -12.279 1.00 0.00 0.060 C ATOM 1210 CG TYR A 156 3.749 -1.970 -12.293 1.00 0.00 -0.020 A ATOM 1211 CD1 TYR A 156 3.755 -0.923 -11.372 1.00 0.00 -0.002 A ATOM 1212 CD2 TYR A 156 4.827 -2.096 -13.166 1.00 0.00 -0.002 A ATOM 1213 CE1 TYR A 156 4.798 -0.038 -11.312 1.00 0.00 0.027 A ATOM 1214 CE2 TYR A 156 5.883 -1.214 -13.114 1.00 0.00 0.027 A ATOM 1215 CZ TYR A 156 5.863 -0.187 -12.182 1.00 0.00 0.131 A ATOM 1216 OH TYR A 156 6.925 0.679 -12.091 1.00 0.00 -0.190 OA ATOM 1217 N HIS A 157 0.865 -4.856 -13.984 1.00 0.00 -0.228 NA ATOM 1218 CA HIS A 157 0.126 -6.102 -14.050 1.00 0.00 0.192 C ATOM 1219 C HIS A 157 1.036 -7.207 -14.588 1.00 0.00 0.275 C ATOM 1220 O HIS A 157 2.131 -6.954 -15.106 1.00 0.00 -0.268 OA ATOM 1221 CB HIS A 157 -1.112 -5.951 -14.939 1.00 0.00 0.082 C ATOM 1222 CG HIS A 157 -0.796 -5.532 -16.341 1.00 0.00 0.082 A ATOM 1223 ND1 HIS A 157 -0.382 -4.254 -16.662 1.00 0.00 -0.227 NA ATOM 1224 CD2 HIS A 157 -0.803 -6.229 -17.505 1.00 0.00 0.116 A ATOM 1225 CE1 HIS A 157 -0.146 -4.184 -17.961 1.00 0.00 0.199 A ATOM 1226 NE2 HIS A 157 -0.394 -5.368 -18.497 1.00 0.00 -0.221 NA ATOM 1227 N ARG A 158 0.601 -8.438 -14.359 1.00 0.00 -0.229 NA ATOM 1228 CA ARG A 158 1.283 -9.631 -14.822 1.00 0.00 0.186 C ATOM 1229 C ARG A 158 0.252 -10.735 -14.697 1.00 0.00 0.274 C ATOM 1230 O ARG A 158 -0.747 -10.579 -13.993 1.00 0.00 -0.268 OA ATOM 1231 CB ARG A 158 2.541 -9.924 -14.001 1.00 0.00 0.036 C ATOM 1232 CG ARG A 158 2.325 -10.464 -12.617 1.00 0.00 0.029 C ATOM 1233 CD ARG A 158 3.664 -10.801 -11.994 1.00 0.00 0.145 C ATOM 1234 NE ARG A 158 3.505 -11.145 -10.584 1.00 0.00 -0.083 NA ATOM 1235 CZ ARG A 158 4.498 -11.450 -9.760 1.00 0.00 0.782 C ATOM 1236 NH1 ARG A 158 5.749 -11.479 -10.194 1.00 0.00 0.063 N ATOM 1237 NH2 ARG A 158 4.245 -11.665 -8.480 1.00 0.00 0.063 N ATOM 1238 N SER A 159 0.433 -11.814 -15.442 1.00 0.00 -0.225 NA ATOM 1239 CA SER A 159 -0.533 -12.901 -15.384 1.00 0.00 0.226 C ATOM 1240 C SER A 159 -0.099 -14.117 -14.575 1.00 0.00 0.211 C ATOM 1241 O SER A 159 -0.928 -15.051 -14.493 1.00 0.00 -0.646 OA ATOM 1242 CB SER A 159 -0.960 -13.298 -16.792 1.00 0.00 0.218 C ATOM 1243 OG SER A 159 -1.558 -12.189 -17.443 1.00 0.00 -0.218 OA ATOM 1244 OXT SER A 159 1.011 -14.089 -13.973 1.00 0.00 -0.646 OA TER 1245 SER A 159 laila/./complex-laila-3.pdb0000664000076600007660000024746612307606044015252 0ustar galaxygalaxyATOM 1 N MET A 1 -7.666 -12.503 -7.596 1.00 0.00 ATOM 2 CA MET A 1 -6.845 -11.294 -7.883 1.00 0.00 ATOM 3 C MET A 1 -6.358 -10.631 -6.595 1.00 0.00 ATOM 4 O MET A 1 -7.159 -10.238 -5.736 1.00 0.00 ATOM 5 CB MET A 1 -7.666 -10.277 -8.686 1.00 0.00 ATOM 6 CG MET A 1 -6.868 -9.138 -9.382 1.00 0.00 ATOM 7 SD MET A 1 -6.016 -7.851 -8.372 1.00 0.00 ATOM 8 CE MET A 1 -7.337 -7.058 -7.519 1.00 0.00 ATOM 9 N VAL A 2 -5.039 -10.569 -6.443 1.00 0.00 ATOM 10 CA VAL A 2 -4.432 -9.905 -5.306 1.00 0.00 ATOM 11 C VAL A 2 -3.626 -8.757 -5.882 1.00 0.00 ATOM 12 O VAL A 2 -2.848 -8.935 -6.820 1.00 0.00 ATOM 13 CB VAL A 2 -3.518 -10.833 -4.505 1.00 0.00 ATOM 14 CG1 VAL A 2 -2.790 -10.057 -3.441 1.00 0.00 ATOM 15 CG2 VAL A 2 -4.333 -11.907 -3.852 1.00 0.00 ATOM 16 N GLY A 3 -3.883 -7.561 -5.370 1.00 0.00 ATOM 17 CA GLY A 3 -3.157 -6.395 -5.826 1.00 0.00 ATOM 18 C GLY A 3 -2.468 -5.721 -4.668 1.00 0.00 ATOM 19 O GLY A 3 -2.866 -5.888 -3.520 1.00 0.00 ATOM 20 N LEU A 4 -1.386 -5.019 -4.962 1.00 0.00 ATOM 21 CA LEU A 4 -0.663 -4.285 -3.945 1.00 0.00 ATOM 22 C LEU A 4 -0.829 -2.807 -4.262 1.00 0.00 ATOM 23 O LEU A 4 -0.918 -2.440 -5.420 1.00 0.00 ATOM 24 CB LEU A 4 0.828 -4.629 -3.989 1.00 0.00 ATOM 25 CG LEU A 4 1.392 -5.804 -3.185 1.00 0.00 ATOM 26 CD1 LEU A 4 0.551 -7.043 -3.328 1.00 0.00 ATOM 27 CD2 LEU A 4 2.836 -6.059 -3.615 1.00 0.00 ATOM 28 N ILE A 5 -0.940 -1.967 -3.239 1.00 0.00 ATOM 29 CA ILE A 5 -1.043 -0.531 -3.464 1.00 0.00 ATOM 30 C ILE A 5 -0.207 0.196 -2.419 1.00 0.00 ATOM 31 O ILE A 5 -0.243 -0.143 -1.235 1.00 0.00 ATOM 32 CB ILE A 5 -2.525 -0.020 -3.488 1.00 0.00 ATOM 33 CG1 ILE A 5 -2.556 1.504 -3.678 1.00 0.00 ATOM 34 CG2 ILE A 5 -3.269 -0.410 -2.227 1.00 0.00 ATOM 35 CD1 ILE A 5 -3.933 2.054 -4.027 1.00 0.00 ATOM 36 N TRP A 6 0.628 1.123 -2.878 1.00 0.00 ATOM 37 CA TRP A 6 1.479 1.898 -1.989 1.00 0.00 ATOM 38 C TRP A 6 1.942 3.188 -2.655 1.00 0.00 ATOM 39 O TRP A 6 1.821 3.357 -3.868 1.00 0.00 ATOM 40 CB TRP A 6 2.719 1.088 -1.567 1.00 0.00 ATOM 41 CG TRP A 6 3.782 0.892 -2.652 1.00 0.00 ATOM 42 CD1 TRP A 6 4.800 1.754 -2.976 1.00 0.00 ATOM 43 CD2 TRP A 6 3.934 -0.246 -3.514 1.00 0.00 ATOM 44 NE1 TRP A 6 5.574 1.221 -3.979 1.00 0.00 ATOM 45 CE2 TRP A 6 5.065 -0.003 -4.329 1.00 0.00 ATOM 46 CE3 TRP A 6 3.229 -1.450 -3.669 1.00 0.00 ATOM 47 CZ2 TRP A 6 5.507 -0.919 -5.289 1.00 0.00 ATOM 48 CZ3 TRP A 6 3.669 -2.359 -4.621 1.00 0.00 ATOM 49 CH2 TRP A 6 4.799 -2.085 -5.419 1.00 0.00 ATOM 50 N ALA A 7 2.491 4.078 -1.838 1.00 0.00 ATOM 51 CA ALA A 7 3.047 5.354 -2.271 1.00 0.00 ATOM 52 C ALA A 7 4.509 5.327 -1.791 1.00 0.00 ATOM 53 O ALA A 7 4.778 5.052 -0.622 1.00 0.00 ATOM 54 CB ALA A 7 2.288 6.522 -1.613 1.00 0.00 ATOM 55 N GLN A 8 5.450 5.583 -2.693 1.00 0.00 ATOM 56 CA GLN A 8 6.860 5.559 -2.331 1.00 0.00 ATOM 57 C GLN A 8 7.632 6.758 -2.847 1.00 0.00 ATOM 58 O GLN A 8 7.283 7.331 -3.880 1.00 0.00 ATOM 59 CB GLN A 8 7.539 4.324 -2.923 1.00 0.00 ATOM 60 CG GLN A 8 7.620 4.364 -4.434 1.00 0.00 ATOM 61 CD GLN A 8 8.529 3.308 -5.000 1.00 0.00 ATOM 62 OE1 GLN A 8 8.129 2.168 -5.184 1.00 0.00 ATOM 63 NE2 GLN A 8 9.765 3.686 -5.296 1.00 0.00 ATOM 64 N ALA A 9 8.690 7.104 -2.113 1.00 0.00 ATOM 65 CA ALA A 9 9.607 8.159 -2.516 1.00 0.00 ATOM 66 C ALA A 9 10.380 7.485 -3.638 1.00 0.00 ATOM 67 O ALA A 9 10.480 6.260 -3.675 1.00 0.00 ATOM 68 CB ALA A 9 10.570 8.523 -1.364 1.00 0.00 ATOM 69 N THR A 10 10.903 8.265 -4.567 1.00 0.00 ATOM 70 CA THR A 10 11.675 7.712 -5.673 1.00 0.00 ATOM 71 C THR A 10 12.703 6.688 -5.168 1.00 0.00 ATOM 72 O THR A 10 12.987 5.686 -5.827 1.00 0.00 ATOM 73 CB THR A 10 12.396 8.862 -6.391 1.00 0.00 ATOM 74 OG1 THR A 10 11.411 9.718 -6.985 1.00 0.00 ATOM 75 CG2 THR A 10 13.361 8.343 -7.452 1.00 0.00 ATOM 76 N SER A 11 13.194 6.925 -3.959 1.00 0.00 ATOM 77 CA SER A 11 14.191 6.086 -3.312 1.00 0.00 ATOM 78 C SER A 11 13.677 4.725 -2.888 1.00 0.00 ATOM 79 O SER A 11 14.466 3.825 -2.601 1.00 0.00 ATOM 80 CB SER A 11 14.721 6.799 -2.079 1.00 0.00 ATOM 81 OG SER A 11 13.709 6.913 -1.093 1.00 0.00 ATOM 82 N GLY A 12 12.356 4.597 -2.784 1.00 0.00 ATOM 83 CA GLY A 12 11.761 3.333 -2.379 1.00 0.00 ATOM 84 C GLY A 12 11.257 3.333 -0.950 1.00 0.00 ATOM 85 O GLY A 12 10.607 2.380 -0.523 1.00 0.00 ATOM 86 N VAL A 13 11.535 4.408 -0.212 1.00 0.00 ATOM 87 CA VAL A 13 11.091 4.521 1.173 1.00 0.00 ATOM 88 C VAL A 13 9.592 4.738 1.196 1.00 0.00 ATOM 89 O VAL A 13 9.078 5.560 0.445 1.00 0.00 ATOM 90 CB VAL A 13 11.782 5.711 1.900 1.00 0.00 ATOM 91 CG1 VAL A 13 11.249 5.869 3.333 1.00 0.00 ATOM 92 CG2 VAL A 13 13.287 5.502 1.916 1.00 0.00 ATOM 93 N ILE A 14 8.888 3.952 2.005 1.00 0.00 ATOM 94 CA ILE A 14 7.449 4.104 2.127 1.00 0.00 ATOM 95 C ILE A 14 7.083 4.445 3.562 1.00 0.00 ATOM 96 O ILE A 14 6.001 4.960 3.822 1.00 0.00 ATOM 97 CB ILE A 14 6.648 2.833 1.700 1.00 0.00 ATOM 98 CG1 ILE A 14 6.988 1.644 2.596 1.00 0.00 ATOM 99 CG2 ILE A 14 6.872 2.524 0.242 1.00 0.00 ATOM 100 CD1 ILE A 14 6.010 0.468 2.490 1.00 0.00 ATOM 101 N GLY A 15 7.994 4.191 4.498 1.00 0.00 ATOM 102 CA GLY A 15 7.699 4.471 5.895 1.00 0.00 ATOM 103 C GLY A 15 8.940 4.712 6.725 1.00 0.00 ATOM 104 O GLY A 15 10.000 4.147 6.452 1.00 0.00 ATOM 105 N ARG A 16 8.804 5.566 7.734 1.00 0.00 ATOM 106 CA ARG A 16 9.905 5.906 8.632 1.00 0.00 ATOM 107 C ARG A 16 9.331 6.375 9.963 1.00 0.00 ATOM 108 O ARG A 16 8.442 7.217 9.985 1.00 0.00 ATOM 109 CB ARG A 16 10.781 7.004 8.026 1.00 0.00 ATOM 110 CG ARG A 16 11.960 7.387 8.905 1.00 0.00 ATOM 111 CD ARG A 16 12.892 8.330 8.189 1.00 0.00 ATOM 112 NE ARG A 16 13.458 7.722 6.993 1.00 0.00 ATOM 113 CZ ARG A 16 14.131 8.394 6.067 1.00 0.00 ATOM 114 NH1 ARG A 16 14.310 9.691 6.204 1.00 0.00 ATOM 115 NH2 ARG A 16 14.642 7.775 5.009 1.00 0.00 ATOM 116 N GLY A 17 9.825 5.814 11.068 1.00 0.00 ATOM 117 CA GLY A 17 9.339 6.191 12.390 1.00 0.00 ATOM 118 C GLY A 17 7.873 5.849 12.592 1.00 0.00 ATOM 119 O GLY A 17 7.176 6.454 13.409 1.00 0.00 ATOM 120 N GLY A 18 7.400 4.869 11.835 1.00 0.00 ATOM 121 CA GLY A 18 6.015 4.474 11.934 1.00 0.00 ATOM 122 C GLY A 18 5.066 5.376 11.166 1.00 0.00 ATOM 123 O GLY A 18 3.859 5.183 11.252 1.00 0.00 ATOM 124 N ASP A 19 5.588 6.326 10.392 1.00 0.00 ATOM 125 CA ASP A 19 4.741 7.244 9.620 1.00 0.00 ATOM 126 C ASP A 19 5.092 7.223 8.138 1.00 0.00 ATOM 127 O ASP A 19 6.038 6.562 7.726 1.00 0.00 ATOM 128 CB ASP A 19 4.943 8.700 10.087 1.00 0.00 ATOM 129 CG ASP A 19 4.688 8.901 11.574 1.00 0.00 ATOM 130 OD1 ASP A 19 5.505 9.604 12.222 1.00 0.00 ATOM 131 OD2 ASP A 19 3.676 8.375 12.088 1.00 0.00 ATOM 132 N ILE A 20 4.278 7.904 7.338 1.00 0.00 ATOM 133 CA ILE A 20 4.557 8.060 5.921 1.00 0.00 ATOM 134 C ILE A 20 5.328 9.381 5.998 1.00 0.00 ATOM 135 O ILE A 20 4.806 10.369 6.504 1.00 0.00 ATOM 136 CB ILE A 20 3.279 8.207 5.094 1.00 0.00 ATOM 137 CG1 ILE A 20 2.551 6.858 5.032 1.00 0.00 ATOM 138 CG2 ILE A 20 3.613 8.681 3.705 1.00 0.00 ATOM 139 CD1 ILE A 20 1.351 6.819 4.092 1.00 0.00 ATOM 140 N PRO A 21 6.577 9.414 5.506 1.00 0.00 ATOM 141 CA PRO A 21 7.424 10.608 5.542 1.00 0.00 ATOM 142 C PRO A 21 7.161 11.744 4.554 1.00 0.00 ATOM 143 O PRO A 21 8.101 12.386 4.085 1.00 0.00 ATOM 144 CB PRO A 21 8.841 10.039 5.361 1.00 0.00 ATOM 145 CG PRO A 21 8.653 8.531 5.121 1.00 0.00 ATOM 146 CD PRO A 21 7.228 8.354 4.725 1.00 0.00 ATOM 147 N TRP A 22 5.899 11.999 4.242 1.00 0.00 ATOM 148 CA TRP A 22 5.542 13.081 3.325 1.00 0.00 ATOM 149 C TRP A 22 4.056 13.356 3.383 1.00 0.00 ATOM 150 O TRP A 22 3.289 12.556 3.909 1.00 0.00 ATOM 151 CB TRP A 22 5.946 12.765 1.874 1.00 0.00 ATOM 152 CG TRP A 22 5.300 11.539 1.284 1.00 0.00 ATOM 153 CD1 TRP A 22 4.031 11.431 0.797 1.00 0.00 ATOM 154 CD2 TRP A 22 5.895 10.246 1.137 1.00 0.00 ATOM 155 NE1 TRP A 22 3.796 10.146 0.361 1.00 0.00 ATOM 156 CE2 TRP A 22 4.923 9.399 0.560 1.00 0.00 ATOM 157 CE3 TRP A 22 7.158 9.716 1.445 1.00 0.00 ATOM 158 CZ2 TRP A 22 5.171 8.056 0.285 1.00 0.00 ATOM 159 CZ3 TRP A 22 7.400 8.369 1.168 1.00 0.00 ATOM 160 CH2 TRP A 22 6.409 7.561 0.597 1.00 0.00 ATOM 161 N ARG A 23 3.665 14.501 2.840 1.00 0.00 ATOM 162 CA ARG A 23 2.262 14.893 2.793 1.00 0.00 ATOM 163 C ARG A 23 1.862 14.994 1.332 1.00 0.00 ATOM 164 O ARG A 23 2.514 15.679 0.538 1.00 0.00 ATOM 165 CB ARG A 23 1.993 16.228 3.514 1.00 0.00 ATOM 166 CG ARG A 23 3.174 16.877 4.228 1.00 0.00 ATOM 167 CD ARG A 23 4.185 17.444 3.223 1.00 0.00 ATOM 168 NE ARG A 23 5.295 16.523 2.965 1.00 0.00 ATOM 169 CZ ARG A 23 6.397 16.843 2.292 1.00 0.00 ATOM 170 NH1 ARG A 23 6.545 18.062 1.783 1.00 0.00 ATOM 171 NH2 ARG A 23 7.392 15.970 2.192 1.00 0.00 ATOM 172 N LEU A 24 0.805 14.271 0.985 1.00 0.00 ATOM 173 CA LEU A 24 0.281 14.219 -0.371 1.00 0.00 ATOM 174 C LEU A 24 -1.200 13.995 -0.195 1.00 0.00 ATOM 175 O LEU A 24 -1.671 12.863 -0.223 1.00 0.00 ATOM 176 CB LEU A 24 0.902 13.035 -1.135 1.00 0.00 ATOM 177 CG LEU A 24 0.633 12.905 -2.635 1.00 0.00 ATOM 178 CD1 LEU A 24 1.054 14.154 -3.341 1.00 0.00 ATOM 179 CD2 LEU A 24 1.411 11.758 -3.197 1.00 0.00 ATOM 180 N PRO A 25 -1.959 15.078 0.009 1.00 0.00 ATOM 181 CA PRO A 25 -3.407 15.018 0.204 1.00 0.00 ATOM 182 C PRO A 25 -4.194 14.334 -0.910 1.00 0.00 ATOM 183 O PRO A 25 -5.222 13.722 -0.635 1.00 0.00 ATOM 184 CB PRO A 25 -3.788 16.486 0.385 1.00 0.00 ATOM 185 CG PRO A 25 -2.724 17.222 -0.371 1.00 0.00 ATOM 186 CD PRO A 25 -1.488 16.473 0.021 1.00 0.00 ATOM 187 N GLU A 26 -3.696 14.383 -2.144 1.00 0.00 ATOM 188 CA GLU A 26 -4.383 13.750 -3.274 1.00 0.00 ATOM 189 C GLU A 26 -4.278 12.226 -3.254 1.00 0.00 ATOM 190 O GLU A 26 -4.952 11.535 -4.023 1.00 0.00 ATOM 191 CB GLU A 26 -3.813 14.248 -4.603 1.00 0.00 ATOM 192 CG GLU A 26 -3.989 15.732 -4.844 1.00 0.00 ATOM 193 CD GLU A 26 -2.898 16.573 -4.223 1.00 0.00 ATOM 194 OE1 GLU A 26 -2.070 16.028 -3.462 1.00 0.00 ATOM 195 OE2 GLU A 26 -2.867 17.793 -4.509 1.00 0.00 ATOM 196 N ASP A 27 -3.400 11.714 -2.400 1.00 0.00 ATOM 197 CA ASP A 27 -3.174 10.279 -2.296 1.00 0.00 ATOM 198 C ASP A 27 -4.391 9.570 -1.732 1.00 0.00 ATOM 199 O ASP A 27 -4.848 8.566 -2.276 1.00 0.00 ATOM 200 CB ASP A 27 -1.938 10.018 -1.423 1.00 0.00 ATOM 201 CG ASP A 27 -1.631 8.537 -1.236 1.00 0.00 ATOM 202 OD1 ASP A 27 -1.279 7.852 -2.212 1.00 0.00 ATOM 203 OD2 ASP A 27 -1.709 8.063 -0.089 1.00 0.00 ATOM 204 N GLN A 28 -4.946 10.149 -0.678 1.00 0.00 ATOM 205 CA GLN A 28 -6.104 9.590 0.013 1.00 0.00 ATOM 206 C GLN A 28 -7.252 9.211 -0.914 1.00 0.00 ATOM 207 O GLN A 28 -7.851 8.144 -0.766 1.00 0.00 ATOM 208 CB GLN A 28 -6.584 10.582 1.074 1.00 0.00 ATOM 209 CG GLN A 28 -5.429 11.160 1.904 1.00 0.00 ATOM 210 CD GLN A 28 -5.753 12.517 2.536 1.00 0.00 ATOM 211 OE1 GLN A 28 -6.578 13.292 2.020 1.00 0.00 ATOM 212 NE2 GLN A 28 -5.081 12.822 3.649 1.00 0.00 ATOM 213 N ALA A 29 -7.536 10.082 -1.879 1.00 0.00 ATOM 214 CA ALA A 29 -8.618 9.872 -2.829 1.00 0.00 ATOM 215 C ALA A 29 -8.303 8.806 -3.862 1.00 0.00 ATOM 216 O ALA A 29 -9.203 8.103 -4.319 1.00 0.00 ATOM 217 CB ALA A 29 -8.972 11.177 -3.507 1.00 0.00 ATOM 218 N HIS A 30 -7.044 8.718 -4.285 1.00 0.00 ATOM 219 CA HIS A 30 -6.665 7.697 -5.257 1.00 0.00 ATOM 220 C HIS A 30 -6.693 6.320 -4.573 1.00 0.00 ATOM 221 O HIS A 30 -7.133 5.326 -5.146 1.00 0.00 ATOM 222 CB HIS A 30 -5.277 7.966 -5.839 1.00 0.00 ATOM 223 CG HIS A 30 -4.825 6.897 -6.785 1.00 0.00 ATOM 224 ND1 HIS A 30 -3.750 6.071 -6.519 1.00 0.00 ATOM 225 CD2 HIS A 30 -5.347 6.468 -7.957 1.00 0.00 ATOM 226 CE1 HIS A 30 -3.633 5.179 -7.487 1.00 0.00 ATOM 227 NE2 HIS A 30 -4.588 5.397 -8.372 1.00 0.00 ATOM 228 N PHE A 31 -6.206 6.277 -3.343 1.00 0.00 ATOM 229 CA PHE A 31 -6.192 5.053 -2.560 1.00 0.00 ATOM 230 C PHE A 31 -7.633 4.585 -2.367 1.00 0.00 ATOM 231 O PHE A 31 -7.949 3.413 -2.574 1.00 0.00 ATOM 232 CB PHE A 31 -5.520 5.331 -1.210 1.00 0.00 ATOM 233 CG PHE A 31 -5.630 4.207 -0.216 1.00 0.00 ATOM 234 CD1 PHE A 31 -4.886 3.042 -0.370 1.00 0.00 ATOM 235 CD2 PHE A 31 -6.469 4.325 0.885 1.00 0.00 ATOM 236 CE1 PHE A 31 -4.972 2.014 0.556 1.00 0.00 ATOM 237 CE2 PHE A 31 -6.560 3.303 1.821 1.00 0.00 ATOM 238 CZ PHE A 31 -5.805 2.139 1.653 1.00 0.00 ATOM 239 N ARG A 32 -8.509 5.519 -2.010 1.00 0.00 ATOM 240 CA ARG A 32 -9.917 5.229 -1.786 1.00 0.00 ATOM 241 C ARG A 32 -10.570 4.670 -3.044 1.00 0.00 ATOM 242 O ARG A 32 -11.207 3.620 -3.008 1.00 0.00 ATOM 243 CB ARG A 32 -10.645 6.504 -1.341 1.00 0.00 ATOM 244 CG ARG A 32 -12.093 6.299 -0.929 1.00 0.00 ATOM 245 CD ARG A 32 -12.817 7.625 -0.717 1.00 0.00 ATOM 246 NE ARG A 32 -14.239 7.447 -0.370 1.00 0.00 ATOM 247 CZ ARG A 32 -15.183 6.942 -1.175 1.00 0.00 ATOM 248 NH1 ARG A 32 -14.887 6.545 -2.408 1.00 0.00 ATOM 249 NH2 ARG A 32 -16.433 6.822 -0.737 1.00 0.00 ATOM 250 N GLU A 33 -10.348 5.350 -4.164 1.00 0.00 ATOM 251 CA GLU A 33 -10.913 4.971 -5.445 1.00 0.00 ATOM 252 C GLU A 33 -10.592 3.528 -5.824 1.00 0.00 ATOM 253 O GLU A 33 -11.457 2.794 -6.302 1.00 0.00 ATOM 254 CB GLU A 33 -10.398 5.930 -6.529 1.00 0.00 ATOM 255 CG GLU A 33 -11.332 6.143 -7.718 1.00 0.00 ATOM 256 CD GLU A 33 -11.653 4.853 -8.465 1.00 0.00 ATOM 257 OE1 GLU A 33 -10.734 4.296 -9.114 1.00 0.00 ATOM 258 OE2 GLU A 33 -12.818 4.384 -8.385 1.00 0.00 ATOM 259 N ILE A 34 -9.354 3.118 -5.582 1.00 0.00 ATOM 260 CA ILE A 34 -8.901 1.777 -5.929 1.00 0.00 ATOM 261 C ILE A 34 -9.386 0.692 -4.964 1.00 0.00 ATOM 262 O ILE A 34 -9.823 -0.386 -5.395 1.00 0.00 ATOM 263 CB ILE A 34 -7.343 1.748 -6.011 1.00 0.00 ATOM 264 CG1 ILE A 34 -6.848 2.478 -7.270 1.00 0.00 ATOM 265 CG2 ILE A 34 -6.813 0.328 -5.939 1.00 0.00 ATOM 266 CD1 ILE A 34 -7.175 1.780 -8.566 1.00 0.00 ATOM 267 N THR A 35 -9.341 0.996 -3.669 1.00 0.00 ATOM 268 CA THR A 35 -9.709 0.037 -2.634 1.00 0.00 ATOM 269 C THR A 35 -11.167 -0.058 -2.203 1.00 0.00 ATOM 270 O THR A 35 -11.588 -1.093 -1.691 1.00 0.00 ATOM 271 CB THR A 35 -8.831 0.239 -1.366 1.00 0.00 ATOM 272 OG1 THR A 35 -9.074 1.530 -0.780 1.00 0.00 ATOM 273 CG2 THR A 35 -7.357 0.114 -1.723 1.00 0.00 ATOM 274 N MET A 36 -11.944 0.997 -2.430 1.00 0.00 ATOM 275 CA MET A 36 -13.336 1.027 -1.993 1.00 0.00 ATOM 276 C MET A 36 -14.174 -0.193 -2.371 1.00 0.00 ATOM 277 O MET A 36 -14.125 -0.665 -3.497 1.00 0.00 ATOM 278 CB MET A 36 -14.010 2.316 -2.471 1.00 0.00 ATOM 279 CG MET A 36 -15.363 2.562 -1.818 1.00 0.00 ATOM 280 SD MET A 36 -15.317 2.566 -0.000 1.00 0.00 ATOM 281 CE MET A 36 -14.159 3.876 0.311 1.00 0.00 ATOM 282 N GLY A 37 -14.916 -0.721 -1.396 1.00 0.00 ATOM 283 CA GLY A 37 -15.761 -1.880 -1.632 1.00 0.00 ATOM 284 C GLY A 37 -15.056 -3.229 -1.665 1.00 0.00 ATOM 285 O GLY A 37 -15.703 -4.259 -1.875 1.00 0.00 ATOM 286 N HIS A 38 -13.744 -3.248 -1.455 1.00 0.00 ATOM 287 CA HIS A 38 -13.010 -4.505 -1.491 1.00 0.00 ATOM 288 C HIS A 38 -12.480 -4.894 -0.138 1.00 0.00 ATOM 289 O HIS A 38 -12.702 -4.211 0.850 1.00 0.00 ATOM 290 CB HIS A 38 -11.841 -4.432 -2.482 1.00 0.00 ATOM 291 CG HIS A 38 -12.260 -4.148 -3.890 1.00 0.00 ATOM 292 ND1 HIS A 38 -13.173 -4.932 -4.566 1.00 0.00 ATOM 293 CD2 HIS A 38 -11.940 -3.136 -4.728 1.00 0.00 ATOM 294 CE1 HIS A 38 -13.403 -4.409 -5.756 1.00 0.00 ATOM 295 NE2 HIS A 38 -12.668 -3.319 -5.879 1.00 0.00 ATOM 296 N THR A 39 -11.869 -6.067 -0.084 1.00 0.00 ATOM 297 CA THR A 39 -11.259 -6.529 1.142 1.00 0.00 ATOM 298 C THR A 39 -9.863 -5.925 1.094 1.00 0.00 ATOM 299 O THR A 39 -9.238 -5.868 0.027 1.00 0.00 ATOM 300 CB THR A 39 -11.154 -8.081 1.181 1.00 0.00 ATOM 301 OG1 THR A 39 -12.449 -8.637 1.411 1.00 0.00 ATOM 302 CG2 THR A 39 -10.218 -8.543 2.296 1.00 0.00 ATOM 303 N ILE A 40 -9.410 -5.393 2.225 1.00 0.00 ATOM 304 CA ILE A 40 -8.068 -4.826 2.301 1.00 0.00 ATOM 305 C ILE A 40 -7.246 -5.562 3.363 1.00 0.00 ATOM 306 O ILE A 40 -7.737 -5.844 4.452 1.00 0.00 ATOM 307 CB ILE A 40 -8.098 -3.308 2.591 1.00 0.00 ATOM 308 CG1 ILE A 40 -8.798 -3.031 3.911 1.00 0.00 ATOM 309 CG2 ILE A 40 -8.824 -2.573 1.463 1.00 0.00 ATOM 310 CD1 ILE A 40 -8.736 -1.604 4.296 1.00 0.00 ATOM 311 N VAL A 41 -6.025 -5.942 3.003 1.00 0.00 ATOM 312 CA VAL A 41 -5.128 -6.650 3.913 1.00 0.00 ATOM 313 C VAL A 41 -3.934 -5.778 4.331 1.00 0.00 ATOM 314 O VAL A 41 -3.319 -5.111 3.509 1.00 0.00 ATOM 315 CB VAL A 41 -4.654 -7.973 3.274 1.00 0.00 ATOM 316 CG1 VAL A 41 -3.593 -8.651 4.140 1.00 0.00 ATOM 317 CG2 VAL A 41 -5.835 -8.881 3.094 1.00 0.00 ATOM 318 N MET A 42 -3.626 -5.774 5.623 1.00 0.00 ATOM 319 CA MET A 42 -2.522 -4.979 6.127 1.00 0.00 ATOM 320 C MET A 42 -1.817 -5.675 7.293 1.00 0.00 ATOM 321 O MET A 42 -2.404 -6.524 7.968 1.00 0.00 ATOM 322 CB MET A 42 -3.051 -3.626 6.609 1.00 0.00 ATOM 323 CG MET A 42 -3.849 -3.719 7.916 1.00 0.00 ATOM 324 SD MET A 42 -4.709 -2.223 8.288 1.00 0.00 ATOM 325 CE MET A 42 -6.237 -2.544 7.404 1.00 0.00 ATOM 326 N GLY A 43 -0.551 -5.326 7.506 1.00 0.00 ATOM 327 CA GLY A 43 0.185 -5.871 8.631 1.00 0.00 ATOM 328 C GLY A 43 -0.224 -5.129 9.890 1.00 0.00 ATOM 329 O GLY A 43 -0.690 -3.997 9.826 1.00 0.00 ATOM 330 N ARG A 44 -0.031 -5.757 11.043 1.00 0.00 ATOM 331 CA ARG A 44 -0.402 -5.174 12.326 1.00 0.00 ATOM 332 C ARG A 44 0.132 -3.763 12.530 1.00 0.00 ATOM 333 O ARG A 44 -0.547 -2.894 13.077 1.00 0.00 ATOM 334 CB ARG A 44 0.074 -6.106 13.450 1.00 0.00 ATOM 335 CG ARG A 44 -0.524 -5.833 14.825 1.00 0.00 ATOM 336 CD ARG A 44 0.373 -4.957 15.655 1.00 0.00 ATOM 337 NE ARG A 44 1.670 -5.592 15.869 1.00 0.00 ATOM 338 CZ ARG A 44 2.760 -4.945 16.274 1.00 0.00 ATOM 339 NH1 ARG A 44 2.717 -3.642 16.513 1.00 0.00 ATOM 340 NH2 ARG A 44 3.899 -5.600 16.426 1.00 0.00 ATOM 341 N ARG A 45 1.361 -3.531 12.105 1.00 0.00 ATOM 342 CA ARG A 45 1.953 -2.214 12.262 1.00 0.00 ATOM 343 C ARG A 45 1.273 -1.156 11.412 1.00 0.00 ATOM 344 O ARG A 45 1.250 0.018 11.788 1.00 0.00 ATOM 345 CB ARG A 45 3.433 -2.250 11.946 1.00 0.00 ATOM 346 CG ARG A 45 4.264 -2.998 12.936 1.00 0.00 ATOM 347 CD ARG A 45 5.688 -2.749 12.567 1.00 0.00 ATOM 348 NE ARG A 45 6.623 -3.333 13.499 1.00 0.00 ATOM 349 CZ ARG A 45 7.877 -3.628 13.178 1.00 0.00 ATOM 350 NH1 ARG A 45 8.320 -3.384 11.948 1.00 0.00 ATOM 351 NH2 ARG A 45 8.685 -4.177 14.080 1.00 0.00 ATOM 352 N THR A 46 0.782 -1.540 10.236 1.00 0.00 ATOM 353 CA THR A 46 0.077 -0.582 9.390 1.00 0.00 ATOM 354 C THR A 46 -1.250 -0.245 10.080 1.00 0.00 ATOM 355 O THR A 46 -1.678 0.907 10.107 1.00 0.00 ATOM 356 CB THR A 46 -0.154 -1.140 7.971 1.00 0.00 ATOM 357 OG1 THR A 46 1.106 -1.230 7.298 1.00 0.00 ATOM 358 CG2 THR A 46 -1.048 -0.223 7.166 1.00 0.00 ATOM 359 N TRP A 47 -1.872 -1.256 10.679 1.00 0.00 ATOM 360 CA TRP A 47 -3.115 -1.055 11.402 1.00 0.00 ATOM 361 C TRP A 47 -2.878 -0.041 12.524 1.00 0.00 ATOM 362 O TRP A 47 -3.661 0.889 12.690 1.00 0.00 ATOM 363 CB TRP A 47 -3.612 -2.376 11.994 1.00 0.00 ATOM 364 CG TRP A 47 -4.765 -2.169 12.941 1.00 0.00 ATOM 365 CD1 TRP A 47 -4.698 -2.091 14.300 1.00 0.00 ATOM 366 CD2 TRP A 47 -6.158 -2.025 12.597 1.00 0.00 ATOM 367 NE1 TRP A 47 -5.957 -1.911 14.825 1.00 0.00 ATOM 368 CE2 TRP A 47 -6.871 -1.876 13.803 1.00 0.00 ATOM 369 CE3 TRP A 47 -6.873 -2.024 11.387 1.00 0.00 ATOM 370 CZ2 TRP A 47 -8.269 -1.728 13.839 1.00 0.00 ATOM 371 CZ3 TRP A 47 -8.268 -1.876 11.421 1.00 0.00 ATOM 372 CH2 TRP A 47 -8.944 -1.731 12.640 1.00 0.00 ATOM 373 N ASP A 48 -1.801 -0.233 13.294 1.00 0.00 ATOM 374 CA ASP A 48 -1.444 0.680 14.389 1.00 0.00 ATOM 375 C ASP A 48 -1.166 2.086 13.871 1.00 0.00 ATOM 376 O ASP A 48 -1.431 3.070 14.551 1.00 0.00 ATOM 377 CB ASP A 48 -0.210 0.176 15.141 1.00 0.00 ATOM 378 CG ASP A 48 -0.474 -1.104 15.924 1.00 0.00 ATOM 379 OD1 ASP A 48 0.508 -1.822 16.198 1.00 0.00 ATOM 380 OD2 ASP A 48 -1.640 -1.395 16.276 1.00 0.00 ATOM 381 N SER A 49 -0.650 2.164 12.649 1.00 0.00 ATOM 382 CA SER A 49 -0.326 3.424 11.995 1.00 0.00 ATOM 383 C SER A 49 -1.577 4.215 11.592 1.00 0.00 ATOM 384 O SER A 49 -1.538 5.435 11.460 1.00 0.00 ATOM 385 CB SER A 49 0.535 3.136 10.761 1.00 0.00 ATOM 386 OG SER A 49 1.005 4.326 10.156 1.00 0.00 ATOM 387 N LEU A 50 -2.687 3.524 11.373 1.00 0.00 ATOM 388 CA LEU A 50 -3.911 4.210 10.987 1.00 0.00 ATOM 389 C LEU A 50 -4.449 5.055 12.142 1.00 0.00 ATOM 390 O LEU A 50 -4.480 4.600 13.294 1.00 0.00 ATOM 391 CB LEU A 50 -4.985 3.201 10.565 1.00 0.00 ATOM 392 CG LEU A 50 -4.779 2.349 9.315 1.00 0.00 ATOM 393 CD1 LEU A 50 -5.925 1.369 9.172 1.00 0.00 ATOM 394 CD2 LEU A 50 -4.684 3.244 8.100 1.00 0.00 ATOM 395 N PRO A 51 -4.837 6.317 11.863 1.00 0.00 ATOM 396 CA PRO A 51 -5.379 7.165 12.932 1.00 0.00 ATOM 397 C PRO A 51 -6.633 6.473 13.484 1.00 0.00 ATOM 398 O PRO A 51 -7.413 5.888 12.723 1.00 0.00 ATOM 399 CB PRO A 51 -5.748 8.447 12.189 1.00 0.00 ATOM 400 CG PRO A 51 -4.734 8.504 11.088 1.00 0.00 ATOM 401 CD PRO A 51 -4.709 7.073 10.601 1.00 0.00 ATOM 402 N ALA A 52 -6.809 6.515 14.801 1.00 0.00 ATOM 403 CA ALA A 52 -7.959 5.886 15.450 1.00 0.00 ATOM 404 C ALA A 52 -9.321 6.300 14.895 1.00 0.00 ATOM 405 O ALA A 52 -10.250 5.496 14.841 1.00 0.00 ATOM 406 CB ALA A 52 -7.916 6.148 16.934 1.00 0.00 ATOM 407 N LYS A 53 -9.445 7.549 14.469 1.00 0.00 ATOM 408 CA LYS A 53 -10.711 8.026 13.938 1.00 0.00 ATOM 409 C LYS A 53 -11.013 7.506 12.543 1.00 0.00 ATOM 410 O LYS A 53 -12.160 7.531 12.119 1.00 0.00 ATOM 411 CB LYS A 53 -10.767 9.555 13.960 1.00 0.00 ATOM 412 CG LYS A 53 -9.831 10.241 12.993 1.00 0.00 ATOM 413 CD LYS A 53 -9.901 11.752 13.143 1.00 0.00 ATOM 414 CE LYS A 53 -9.174 12.463 11.995 1.00 0.00 ATOM 415 NZ LYS A 53 -7.769 11.964 11.782 1.00 0.00 ATOM 416 N VAL A 54 -9.999 7.024 11.830 1.00 0.00 ATOM 417 CA VAL A 54 -10.225 6.516 10.472 1.00 0.00 ATOM 418 C VAL A 54 -10.237 4.989 10.334 1.00 0.00 ATOM 419 O VAL A 54 -10.530 4.483 9.260 1.00 0.00 ATOM 420 CB VAL A 54 -9.221 7.125 9.416 1.00 0.00 ATOM 421 CG1 VAL A 54 -8.982 8.609 9.679 1.00 0.00 ATOM 422 CG2 VAL A 54 -7.902 6.364 9.385 1.00 0.00 ATOM 423 N ARG A 55 -9.949 4.256 11.409 1.00 0.00 ATOM 424 CA ARG A 55 -9.922 2.798 11.350 1.00 0.00 ATOM 425 C ARG A 55 -11.078 2.142 12.099 1.00 0.00 ATOM 426 O ARG A 55 -11.422 2.557 13.202 1.00 0.00 ATOM 427 CB ARG A 55 -8.614 2.275 11.917 1.00 0.00 ATOM 428 CG ARG A 55 -8.538 2.416 13.398 1.00 0.00 ATOM 429 CD ARG A 55 -7.536 1.488 13.973 1.00 0.00 ATOM 430 NE ARG A 55 -6.330 2.195 14.352 1.00 0.00 ATOM 431 CZ ARG A 55 -5.609 1.915 15.430 1.00 0.00 ATOM 432 NH1 ARG A 55 -5.975 0.939 16.245 1.00 0.00 ATOM 433 NH2 ARG A 55 -4.509 2.606 15.688 1.00 0.00 ATOM 434 N PRO A 56 -11.656 1.065 11.538 1.00 0.00 ATOM 435 CA PRO A 56 -11.284 0.452 10.263 1.00 0.00 ATOM 436 C PRO A 56 -11.656 1.357 9.102 1.00 0.00 ATOM 437 O PRO A 56 -12.540 2.198 9.230 1.00 0.00 ATOM 438 CB PRO A 56 -12.124 -0.819 10.250 1.00 0.00 ATOM 439 CG PRO A 56 -13.365 -0.389 10.950 1.00 0.00 ATOM 440 CD PRO A 56 -12.799 0.347 12.136 1.00 0.00 ATOM 441 N LEU A 57 -10.941 1.226 7.990 1.00 0.00 ATOM 442 CA LEU A 57 -11.234 2.025 6.813 1.00 0.00 ATOM 443 C LEU A 57 -12.651 1.688 6.367 1.00 0.00 ATOM 444 O LEU A 57 -12.974 0.516 6.137 1.00 0.00 ATOM 445 CB LEU A 57 -10.241 1.709 5.706 1.00 0.00 ATOM 446 CG LEU A 57 -8.825 2.091 6.091 1.00 0.00 ATOM 447 CD1 LEU A 57 -7.869 1.764 4.955 1.00 0.00 ATOM 448 CD2 LEU A 57 -8.806 3.584 6.403 1.00 0.00 ATOM 449 N PRO A 58 -13.518 2.714 6.246 1.00 0.00 ATOM 450 CA PRO A 58 -14.922 2.568 5.838 1.00 0.00 ATOM 451 C PRO A 58 -15.152 2.033 4.430 1.00 0.00 ATOM 452 O PRO A 58 -14.392 2.352 3.512 1.00 0.00 ATOM 453 CB PRO A 58 -15.466 3.998 5.978 1.00 0.00 ATOM 454 CG PRO A 58 -14.569 4.612 7.018 1.00 0.00 ATOM 455 CD PRO A 58 -13.221 4.116 6.581 1.00 0.00 ATOM 456 N GLY A 59 -16.188 1.207 4.273 1.00 0.00 ATOM 457 CA GLY A 59 -16.538 0.674 2.968 1.00 0.00 ATOM 458 C GLY A 59 -15.651 -0.430 2.449 1.00 0.00 ATOM 459 O GLY A 59 -15.702 -0.770 1.268 1.00 0.00 ATOM 460 N ARG A 60 -14.860 -1.013 3.339 1.00 0.00 ATOM 461 CA ARG A 60 -13.938 -2.072 2.967 1.00 0.00 ATOM 462 C ARG A 60 -13.843 -3.049 4.100 1.00 0.00 ATOM 463 O ARG A 60 -14.011 -2.674 5.247 1.00 0.00 ATOM 464 CB ARG A 60 -12.551 -1.477 2.704 1.00 0.00 ATOM 465 CG ARG A 60 -12.440 -0.769 1.375 1.00 0.00 ATOM 466 CD ARG A 60 -11.445 0.351 1.413 1.00 0.00 ATOM 467 NE ARG A 60 -11.917 1.462 2.234 1.00 0.00 ATOM 468 CZ ARG A 60 -11.303 2.637 2.340 1.00 0.00 ATOM 469 NH1 ARG A 60 -10.178 2.870 1.671 1.00 0.00 ATOM 470 NH2 ARG A 60 -11.817 3.574 3.122 1.00 0.00 ATOM 471 N ARG A 61 -13.609 -4.313 3.786 1.00 0.00 ATOM 472 CA ARG A 61 -13.460 -5.315 4.828 1.00 0.00 ATOM 473 C ARG A 61 -11.980 -5.276 5.234 1.00 0.00 ATOM 474 O ARG A 61 -11.101 -5.585 4.434 1.00 0.00 ATOM 475 CB ARG A 61 -13.856 -6.696 4.297 1.00 0.00 ATOM 476 CG ARG A 61 -13.758 -7.814 5.329 1.00 0.00 ATOM 477 CD ARG A 61 -14.137 -9.141 4.721 1.00 0.00 ATOM 478 NE ARG A 61 -14.057 -10.216 5.706 1.00 0.00 ATOM 479 CZ ARG A 61 -14.095 -11.514 5.414 1.00 0.00 ATOM 480 NH1 ARG A 61 -14.213 -11.916 4.156 1.00 0.00 ATOM 481 NH2 ARG A 61 -14.000 -12.418 6.383 1.00 0.00 ATOM 482 N ASN A 62 -11.709 -4.825 6.456 1.00 0.00 ATOM 483 CA ASN A 62 -10.345 -4.695 6.947 1.00 0.00 ATOM 484 C ASN A 62 -9.805 -5.974 7.522 1.00 0.00 ATOM 485 O ASN A 62 -10.383 -6.528 8.461 1.00 0.00 ATOM 486 CB ASN A 62 -10.275 -3.632 8.023 1.00 0.00 ATOM 487 CG ASN A 62 -10.497 -2.253 7.486 1.00 0.00 ATOM 488 OD1 ASN A 62 -11.431 -2.008 6.709 1.00 0.00 ATOM 489 ND2 ASN A 62 -9.667 -1.322 7.919 1.00 0.00 ATOM 490 N VAL A 63 -8.697 -6.450 6.962 1.00 0.00 ATOM 491 CA VAL A 63 -8.078 -7.681 7.446 1.00 0.00 ATOM 492 C VAL A 63 -6.675 -7.343 7.939 1.00 0.00 ATOM 493 O VAL A 63 -5.899 -6.733 7.214 1.00 0.00 ATOM 494 CB VAL A 63 -8.008 -8.772 6.342 1.00 0.00 ATOM 495 CG1 VAL A 63 -7.379 -10.058 6.901 1.00 0.00 ATOM 496 CG2 VAL A 63 -9.408 -9.082 5.804 1.00 0.00 ATOM 497 N VAL A 64 -6.374 -7.720 9.183 1.00 0.00 ATOM 498 CA VAL A 64 -5.079 -7.453 9.792 1.00 0.00 ATOM 499 C VAL A 64 -4.314 -8.740 10.085 1.00 0.00 ATOM 500 O VAL A 64 -4.818 -9.642 10.764 1.00 0.00 ATOM 501 CB VAL A 64 -5.248 -6.680 11.095 1.00 0.00 ATOM 502 CG1 VAL A 64 -3.896 -6.267 11.643 1.00 0.00 ATOM 503 CG2 VAL A 64 -6.118 -5.471 10.865 1.00 0.00 ATOM 504 N LEU A 65 -3.088 -8.814 9.576 1.00 0.00 ATOM 505 CA LEU A 65 -2.235 -9.976 9.750 1.00 0.00 ATOM 506 C LEU A 65 -1.404 -9.800 11.020 1.00 0.00 ATOM 507 O LEU A 65 -0.736 -8.778 11.183 1.00 0.00 ATOM 508 CB LEU A 65 -1.297 -10.071 8.552 1.00 0.00 ATOM 509 CG LEU A 65 -1.171 -11.348 7.738 1.00 0.00 ATOM 510 CD1 LEU A 65 0.089 -11.237 6.907 1.00 0.00 ATOM 511 CD2 LEU A 65 -1.058 -12.551 8.640 1.00 0.00 ATOM 512 N SER A 66 -1.443 -10.783 11.918 1.00 0.00 ATOM 513 CA SER A 66 -0.666 -10.726 13.156 1.00 0.00 ATOM 514 C SER A 66 -0.295 -12.122 13.638 1.00 0.00 ATOM 515 O SER A 66 -1.009 -13.086 13.377 1.00 0.00 ATOM 516 CB SER A 66 -1.451 -10.002 14.254 1.00 0.00 ATOM 517 OG SER A 66 -0.722 -9.979 15.473 1.00 0.00 ATOM 518 N ARG A 67 0.848 -12.245 14.300 1.00 0.00 ATOM 519 CA ARG A 67 1.250 -13.547 14.827 1.00 0.00 ATOM 520 C ARG A 67 0.671 -13.787 16.218 1.00 0.00 ATOM 521 O ARG A 67 0.778 -14.883 16.756 1.00 0.00 ATOM 522 CB ARG A 67 2.762 -13.694 14.858 1.00 0.00 ATOM 523 CG ARG A 67 3.361 -13.965 13.499 1.00 0.00 ATOM 524 CD ARG A 67 4.769 -14.535 13.631 1.00 0.00 ATOM 525 NE ARG A 67 5.415 -14.674 12.338 1.00 0.00 ATOM 526 CZ ARG A 67 5.989 -13.670 11.698 1.00 0.00 ATOM 527 NH1 ARG A 67 5.997 -12.459 12.240 1.00 0.00 ATOM 528 NH2 ARG A 67 6.532 -13.871 10.509 1.00 0.00 ATOM 529 N GLN A 68 0.096 -12.746 16.812 1.00 0.00 ATOM 530 CA GLN A 68 -0.523 -12.850 18.128 1.00 0.00 ATOM 531 C GLN A 68 -1.953 -13.346 17.908 1.00 0.00 ATOM 532 O GLN A 68 -2.752 -12.677 17.235 1.00 0.00 ATOM 533 CB GLN A 68 -0.576 -11.477 18.787 1.00 0.00 ATOM 534 CG GLN A 68 0.740 -10.734 18.790 1.00 0.00 ATOM 535 CD GLN A 68 0.580 -9.314 19.283 1.00 0.00 ATOM 536 OE1 GLN A 68 -0.143 -9.058 20.254 1.00 0.00 ATOM 537 NE2 GLN A 68 1.231 -8.375 18.605 1.00 0.00 ATOM 538 N ALA A 69 -2.282 -14.518 18.444 1.00 0.00 ATOM 539 CA ALA A 69 -3.633 -15.048 18.272 1.00 0.00 ATOM 540 C ALA A 69 -4.650 -14.208 19.042 1.00 0.00 ATOM 541 O ALA A 69 -5.828 -14.185 18.703 1.00 0.00 ATOM 542 CB ALA A 69 -3.694 -16.493 18.722 1.00 0.00 ATOM 543 N ASP A 70 -4.156 -13.463 20.027 1.00 0.00 ATOM 544 CA ASP A 70 -4.957 -12.602 20.899 1.00 0.00 ATOM 545 C ASP A 70 -5.062 -11.130 20.464 1.00 0.00 ATOM 546 O ASP A 70 -5.618 -10.317 21.204 1.00 0.00 ATOM 547 CB ASP A 70 -4.301 -12.595 22.278 1.00 0.00 ATOM 548 CG ASP A 70 -2.886 -11.993 22.239 1.00 0.00 ATOM 549 OD1 ASP A 70 -1.996 -12.610 21.596 1.00 0.00 ATOM 550 OD2 ASP A 70 -2.672 -10.889 22.809 1.00 0.00 ATOM 551 N PHE A 71 -4.484 -10.763 19.320 1.00 0.00 ATOM 552 CA PHE A 71 -4.517 -9.361 18.907 1.00 0.00 ATOM 553 C PHE A 71 -5.921 -8.788 18.767 1.00 0.00 ATOM 554 O PHE A 71 -6.803 -9.416 18.185 1.00 0.00 ATOM 555 CB PHE A 71 -3.692 -9.113 17.634 1.00 0.00 ATOM 556 CG PHE A 71 -3.423 -7.650 17.380 1.00 0.00 ATOM 557 CD1 PHE A 71 -2.673 -6.902 18.285 1.00 0.00 ATOM 558 CD2 PHE A 71 -3.980 -6.999 16.280 1.00 0.00 ATOM 559 CE1 PHE A 71 -2.489 -5.526 18.103 1.00 0.00 ATOM 560 CE2 PHE A 71 -3.803 -5.622 16.087 1.00 0.00 ATOM 561 CZ PHE A 71 -3.060 -4.886 17.000 1.00 0.00 ATOM 562 N MET A 72 -6.115 -7.596 19.332 1.00 0.00 ATOM 563 CA MET A 72 -7.402 -6.905 19.308 1.00 0.00 ATOM 564 C MET A 72 -7.413 -5.818 18.242 1.00 0.00 ATOM 565 O MET A 72 -6.597 -4.901 18.284 1.00 0.00 ATOM 566 CB MET A 72 -7.679 -6.246 20.670 1.00 0.00 ATOM 567 CG MET A 72 -7.254 -7.065 21.896 1.00 0.00 ATOM 568 SD MET A 72 -8.528 -8.140 22.645 1.00 0.00 ATOM 569 CE MET A 72 -8.880 -7.197 24.182 1.00 0.00 ATOM 570 N ALA A 73 -8.357 -5.901 17.309 1.00 0.00 ATOM 571 CA ALA A 73 -8.476 -4.908 16.247 1.00 0.00 ATOM 572 C ALA A 73 -9.953 -4.659 15.964 1.00 0.00 ATOM 573 O ALA A 73 -10.546 -5.334 15.137 1.00 0.00 ATOM 574 CB ALA A 73 -7.764 -5.397 14.986 1.00 0.00 ATOM 575 N SER A 74 -10.536 -3.677 16.646 1.00 0.00 ATOM 576 CA SER A 74 -11.952 -3.350 16.489 1.00 0.00 ATOM 577 C SER A 74 -12.408 -3.034 15.074 1.00 0.00 ATOM 578 O SER A 74 -11.904 -2.110 14.437 1.00 0.00 ATOM 579 CB SER A 74 -12.338 -2.195 17.415 1.00 0.00 ATOM 580 OG SER A 74 -12.160 -2.575 18.766 1.00 0.00 ATOM 581 N GLY A 75 -13.401 -3.781 14.605 1.00 0.00 ATOM 582 CA GLY A 75 -13.928 -3.561 13.270 1.00 0.00 ATOM 583 C GLY A 75 -13.099 -4.203 12.187 1.00 0.00 ATOM 584 O GLY A 75 -13.351 -3.987 11.009 1.00 0.00 ATOM 585 N ALA A 76 -12.100 -4.985 12.574 1.00 0.00 ATOM 586 CA ALA A 76 -11.255 -5.659 11.602 1.00 0.00 ATOM 587 C ALA A 76 -11.156 -7.136 11.898 1.00 0.00 ATOM 588 O ALA A 76 -11.456 -7.584 13.002 1.00 0.00 ATOM 589 CB ALA A 76 -9.874 -5.053 11.601 1.00 0.00 ATOM 590 N GLU A 77 -10.754 -7.895 10.889 1.00 0.00 ATOM 591 CA GLU A 77 -10.576 -9.328 11.025 1.00 0.00 ATOM 592 C GLU A 77 -9.089 -9.644 11.227 1.00 0.00 ATOM 593 O GLU A 77 -8.284 -9.400 10.337 1.00 0.00 ATOM 594 CB GLU A 77 -11.075 -10.031 9.761 1.00 0.00 ATOM 595 CG GLU A 77 -10.910 -11.532 9.809 1.00 0.00 ATOM 596 CD GLU A 77 -11.173 -12.201 8.489 1.00 0.00 ATOM 597 OE1 GLU A 77 -11.864 -13.240 8.480 1.00 0.00 ATOM 598 OE2 GLU A 77 -10.679 -11.698 7.459 1.00 0.00 ATOM 599 N VAL A 78 -8.727 -10.169 12.398 1.00 0.00 ATOM 600 CA VAL A 78 -7.336 -10.545 12.683 1.00 0.00 ATOM 601 C VAL A 78 -7.102 -11.997 12.277 1.00 0.00 ATOM 602 O VAL A 78 -7.868 -12.879 12.664 1.00 0.00 ATOM 603 CB VAL A 78 -6.974 -10.363 14.179 1.00 0.00 ATOM 604 CG1 VAL A 78 -5.564 -10.881 14.461 1.00 0.00 ATOM 605 CG2 VAL A 78 -7.055 -8.900 14.556 1.00 0.00 ATOM 606 N VAL A 79 -6.100 -12.217 11.423 1.00 0.00 ATOM 607 CA VAL A 79 -5.741 -13.550 10.951 1.00 0.00 ATOM 608 C VAL A 79 -4.259 -13.812 11.275 1.00 0.00 ATOM 609 O VAL A 79 -3.508 -12.875 11.535 1.00 0.00 ATOM 610 CB VAL A 79 -6.031 -13.718 9.430 1.00 0.00 ATOM 611 CG1 VAL A 79 -7.517 -13.536 9.164 1.00 0.00 ATOM 612 CG2 VAL A 79 -5.257 -12.709 8.616 1.00 0.00 ATOM 613 N GLY A 80 -3.850 -15.077 11.321 1.00 0.00 ATOM 614 CA GLY A 80 -2.464 -15.386 11.646 1.00 0.00 ATOM 615 C GLY A 80 -1.590 -15.801 10.478 1.00 0.00 ATOM 616 O GLY A 80 -0.383 -15.971 10.629 1.00 0.00 ATOM 617 N SER A 81 -2.181 -15.922 9.298 1.00 0.00 ATOM 618 CA SER A 81 -1.440 -16.337 8.120 1.00 0.00 ATOM 619 C SER A 81 -1.937 -15.606 6.890 1.00 0.00 ATOM 620 O SER A 81 -3.080 -15.138 6.856 1.00 0.00 ATOM 621 CB SER A 81 -1.613 -17.839 7.911 1.00 0.00 ATOM 622 OG SER A 81 -2.939 -18.151 7.497 1.00 0.00 ATOM 623 N LEU A 82 -1.098 -15.571 5.857 1.00 0.00 ATOM 624 CA LEU A 82 -1.438 -14.907 4.609 1.00 0.00 ATOM 625 C LEU A 82 -2.550 -15.645 3.878 1.00 0.00 ATOM 626 O LEU A 82 -3.398 -15.016 3.243 1.00 0.00 ATOM 627 CB LEU A 82 -0.217 -14.813 3.700 1.00 0.00 ATOM 628 CG LEU A 82 0.143 -13.496 3.001 1.00 0.00 ATOM 629 CD1 LEU A 82 0.510 -13.805 1.558 1.00 0.00 ATOM 630 CD2 LEU A 82 -0.985 -12.488 3.054 1.00 0.00 ATOM 631 N GLU A 83 -2.546 -16.973 3.965 1.00 0.00 ATOM 632 CA GLU A 83 -3.569 -17.786 3.304 1.00 0.00 ATOM 633 C GLU A 83 -4.973 -17.475 3.824 1.00 0.00 ATOM 634 O GLU A 83 -5.942 -17.546 3.077 1.00 0.00 ATOM 635 CB GLU A 83 -3.271 -19.283 3.458 1.00 0.00 ATOM 636 CG GLU A 83 -2.856 -19.700 4.872 1.00 0.00 ATOM 637 CD GLU A 83 -3.276 -21.131 5.243 1.00 0.00 ATOM 638 OE1 GLU A 83 -4.134 -21.708 4.526 1.00 0.00 ATOM 639 OE2 GLU A 83 -2.758 -21.669 6.259 1.00 0.00 ATOM 640 N GLU A 84 -5.075 -17.156 5.112 1.00 0.00 ATOM 641 CA GLU A 84 -6.358 -16.816 5.729 1.00 0.00 ATOM 642 C GLU A 84 -6.797 -15.392 5.350 1.00 0.00 ATOM 643 O GLU A 84 -7.980 -15.068 5.396 1.00 0.00 ATOM 644 CB GLU A 84 -6.267 -16.913 7.254 1.00 0.00 ATOM 645 CG GLU A 84 -6.098 -18.310 7.830 1.00 0.00 ATOM 646 CD GLU A 84 -5.602 -18.269 9.265 1.00 0.00 ATOM 647 OE1 GLU A 84 -6.149 -17.503 10.092 1.00 0.00 ATOM 648 OE2 GLU A 84 -4.637 -18.991 9.576 1.00 0.00 ATOM 649 N ALA A 85 -5.839 -14.545 4.991 1.00 0.00 ATOM 650 CA ALA A 85 -6.139 -13.168 4.618 1.00 0.00 ATOM 651 C ALA A 85 -6.518 -12.969 3.149 1.00 0.00 ATOM 652 O ALA A 85 -7.303 -12.087 2.829 1.00 0.00 ATOM 653 CB ALA A 85 -4.956 -12.282 4.972 1.00 0.00 ATOM 654 N LEU A 86 -5.994 -13.817 2.266 1.00 0.00 ATOM 655 CA LEU A 86 -6.232 -13.702 0.823 1.00 0.00 ATOM 656 C LEU A 86 -7.409 -14.446 0.199 1.00 0.00 ATOM 657 O LEU A 86 -7.500 -14.528 -1.027 1.00 0.00 ATOM 658 CB LEU A 86 -4.958 -14.093 0.079 1.00 0.00 ATOM 659 CG LEU A 86 -3.711 -13.324 0.510 1.00 0.00 ATOM 660 CD1 LEU A 86 -2.489 -13.923 -0.155 1.00 0.00 ATOM 661 CD2 LEU A 86 -3.849 -11.841 0.181 1.00 0.00 ATOM 662 N THR A 87 -8.341 -14.924 1.013 1.00 0.00 ATOM 663 CA THR A 87 -9.482 -15.685 0.496 1.00 0.00 ATOM 664 C THR A 87 -10.458 -14.963 -0.455 1.00 0.00 ATOM 665 O THR A 87 -11.192 -15.621 -1.196 1.00 0.00 ATOM 666 CB THR A 87 -10.261 -16.379 1.643 1.00 0.00 ATOM 667 OG1 THR A 87 -10.833 -15.388 2.498 1.00 0.00 ATOM 668 CG2 THR A 87 -9.328 -17.250 2.473 1.00 0.00 ATOM 669 N SER A 88 -10.469 -13.629 -0.460 1.00 0.00 ATOM 670 CA SER A 88 -11.369 -12.890 -1.358 1.00 0.00 ATOM 671 C SER A 88 -10.829 -12.829 -2.780 1.00 0.00 ATOM 672 O SER A 88 -9.619 -12.770 -2.989 1.00 0.00 ATOM 673 CB SER A 88 -11.582 -11.449 -0.879 1.00 0.00 ATOM 674 OG SER A 88 -12.191 -11.393 0.399 1.00 0.00 ATOM 675 N PRO A 89 -11.727 -12.838 -3.776 1.00 0.00 ATOM 676 CA PRO A 89 -11.437 -12.774 -5.217 1.00 0.00 ATOM 677 C PRO A 89 -10.666 -11.491 -5.598 1.00 0.00 ATOM 678 O PRO A 89 -9.812 -11.506 -6.489 1.00 0.00 ATOM 679 CB PRO A 89 -12.835 -12.798 -5.841 1.00 0.00 ATOM 680 CG PRO A 89 -13.581 -13.678 -4.903 1.00 0.00 ATOM 681 CD PRO A 89 -13.154 -13.133 -3.556 1.00 0.00 ATOM 682 N GLU A 90 -11.030 -10.367 -4.991 1.00 0.00 ATOM 683 CA GLU A 90 -10.314 -9.133 -5.244 1.00 0.00 ATOM 684 C GLU A 90 -9.851 -8.588 -3.895 1.00 0.00 ATOM 685 O GLU A 90 -10.646 -8.095 -3.098 1.00 0.00 ATOM 686 CB GLU A 90 -11.158 -8.111 -6.018 1.00 0.00 ATOM 687 CG GLU A 90 -10.470 -6.737 -6.112 1.00 0.00 ATOM 688 CD GLU A 90 -10.793 -5.940 -7.369 1.00 0.00 ATOM 689 OE1 GLU A 90 -10.209 -4.841 -7.532 1.00 0.00 ATOM 690 OE2 GLU A 90 -11.613 -6.404 -8.191 1.00 0.00 ATOM 691 N THR A 91 -8.562 -8.749 -3.620 1.00 0.00 ATOM 692 CA THR A 91 -7.987 -8.290 -2.363 1.00 0.00 ATOM 693 C THR A 91 -6.901 -7.250 -2.603 1.00 0.00 ATOM 694 O THR A 91 -6.103 -7.375 -3.525 1.00 0.00 ATOM 695 CB THR A 91 -7.353 -9.470 -1.583 1.00 0.00 ATOM 696 OG1 THR A 91 -8.350 -10.453 -1.285 1.00 0.00 ATOM 697 CG2 THR A 91 -6.709 -8.984 -0.290 1.00 0.00 ATOM 698 N TRP A 92 -6.887 -6.203 -1.798 1.00 0.00 ATOM 699 CA TRP A 92 -5.841 -5.209 -1.935 1.00 0.00 ATOM 700 C TRP A 92 -4.993 -5.189 -0.688 1.00 0.00 ATOM 701 O TRP A 92 -5.511 -5.080 0.428 1.00 0.00 ATOM 702 CB TRP A 92 -6.406 -3.819 -2.239 1.00 0.00 ATOM 703 CG TRP A 92 -6.840 -3.700 -3.688 1.00 0.00 ATOM 704 CD1 TRP A 92 -8.097 -3.925 -4.200 1.00 0.00 ATOM 705 CD2 TRP A 92 -5.997 -3.415 -4.813 1.00 0.00 ATOM 706 NE1 TRP A 92 -8.075 -3.807 -5.572 1.00 0.00 ATOM 707 CE2 TRP A 92 -6.801 -3.494 -5.971 1.00 0.00 ATOM 708 CE3 TRP A 92 -4.640 -3.109 -4.952 1.00 0.00 ATOM 709 CZ2 TRP A 92 -6.288 -3.275 -7.249 1.00 0.00 ATOM 710 CZ3 TRP A 92 -4.131 -2.895 -6.222 1.00 0.00 ATOM 711 CH2 TRP A 92 -4.953 -2.980 -7.353 1.00 0.00 ATOM 712 N VAL A 93 -3.696 -5.403 -0.880 1.00 0.00 ATOM 713 CA VAL A 93 -2.737 -5.390 0.215 1.00 0.00 ATOM 714 C VAL A 93 -2.320 -3.918 0.328 1.00 0.00 ATOM 715 O VAL A 93 -1.733 -3.341 -0.589 1.00 0.00 ATOM 716 CB VAL A 93 -1.543 -6.356 -0.088 1.00 0.00 ATOM 717 CG1 VAL A 93 -0.453 -6.231 0.981 1.00 0.00 ATOM 718 CG2 VAL A 93 -2.067 -7.819 -0.149 1.00 0.00 ATOM 719 N ILE A 94 -2.705 -3.297 1.434 1.00 0.00 ATOM 720 CA ILE A 94 -2.450 -1.881 1.632 1.00 0.00 ATOM 721 C ILE A 94 -1.280 -1.565 2.511 1.00 0.00 ATOM 722 O ILE A 94 -1.079 -0.421 2.920 1.00 0.00 ATOM 723 CB ILE A 94 -3.680 -1.159 2.190 1.00 0.00 ATOM 724 CG1 ILE A 94 -3.939 -1.571 3.636 1.00 0.00 ATOM 725 CG2 ILE A 94 -4.881 -1.488 1.344 1.00 0.00 ATOM 726 CD1 ILE A 94 -4.702 -0.520 4.417 1.00 0.00 ATOM 727 N GLY A 95 -0.506 -2.567 2.848 1.00 0.00 ATOM 728 CA GLY A 95 0.590 -2.201 3.664 1.00 0.00 ATOM 729 C GLY A 95 1.327 -3.110 4.559 1.00 0.00 ATOM 730 O GLY A 95 0.788 -3.999 5.215 1.00 0.00 ATOM 731 N GLY A 96 2.465 -2.477 4.818 1.00 0.00 ATOM 732 CA GLY A 96 3.544 -2.934 5.611 1.00 0.00 ATOM 733 C GLY A 96 4.637 -3.260 4.622 1.00 0.00 ATOM 734 O GLY A 96 4.343 -3.849 3.585 1.00 0.00 ATOM 735 N GLY A 97 5.862 -2.815 4.875 1.00 0.00 ATOM 736 CA GLY A 97 6.939 -3.206 3.996 1.00 0.00 ATOM 737 C GLY A 97 7.032 -4.728 4.096 1.00 0.00 ATOM 738 O GLY A 97 7.251 -5.417 3.097 1.00 0.00 ATOM 739 N GLN A 98 6.803 -5.276 5.286 1.00 0.00 ATOM 740 CA GLN A 98 6.843 -6.731 5.475 1.00 0.00 ATOM 741 C GLN A 98 5.736 -7.460 4.721 1.00 0.00 ATOM 742 O GLN A 98 5.980 -8.455 4.028 1.00 0.00 ATOM 743 CB GLN A 98 6.720 -7.107 6.947 1.00 0.00 ATOM 744 CG GLN A 98 7.919 -6.744 7.793 1.00 0.00 ATOM 745 CD GLN A 98 7.688 -7.009 9.261 1.00 0.00 ATOM 746 OE1 GLN A 98 7.983 -6.160 10.118 1.00 0.00 ATOM 747 NE2 GLN A 98 7.154 -8.189 9.569 1.00 0.00 ATOM 748 N VAL A 99 4.514 -6.979 4.871 1.00 0.00 ATOM 749 CA VAL A 99 3.395 -7.616 4.214 1.00 0.00 ATOM 750 C VAL A 99 3.432 -7.530 2.696 1.00 0.00 ATOM 751 O VAL A 99 2.984 -8.459 2.027 1.00 0.00 ATOM 752 CB VAL A 99 2.065 -7.123 4.799 1.00 0.00 ATOM 753 CG1 VAL A 99 0.892 -7.760 4.092 1.00 0.00 ATOM 754 CG2 VAL A 99 2.009 -7.497 6.266 1.00 0.00 ATOM 755 N TYR A 100 3.999 -6.461 2.141 1.00 0.00 ATOM 756 CA TYR A 100 4.101 -6.343 0.682 1.00 0.00 ATOM 757 C TYR A 100 5.042 -7.428 0.165 1.00 0.00 ATOM 758 O TYR A 100 4.808 -8.021 -0.890 1.00 0.00 ATOM 759 CB TYR A 100 4.669 -4.981 0.248 1.00 0.00 ATOM 760 CG TYR A 100 3.735 -3.785 0.367 1.00 0.00 ATOM 761 CD1 TYR A 100 4.187 -2.597 0.943 1.00 0.00 ATOM 762 CD2 TYR A 100 2.416 -3.836 -0.096 1.00 0.00 ATOM 763 CE1 TYR A 100 3.355 -1.488 1.058 1.00 0.00 ATOM 764 CE2 TYR A 100 1.576 -2.731 0.015 1.00 0.00 ATOM 765 CZ TYR A 100 2.060 -1.555 0.596 1.00 0.00 ATOM 766 OH TYR A 100 1.275 -0.423 0.714 1.00 0.00 ATOM 767 N ALA A 101 6.131 -7.657 0.895 1.00 0.00 ATOM 768 CA ALA A 101 7.120 -8.670 0.520 1.00 0.00 ATOM 769 C ALA A 101 6.498 -10.049 0.572 1.00 0.00 ATOM 770 O ALA A 101 6.722 -10.887 -0.299 1.00 0.00 ATOM 771 CB ALA A 101 8.287 -8.616 1.471 1.00 0.00 ATOM 772 N LEU A 102 5.715 -10.268 1.617 1.00 0.00 ATOM 773 CA LEU A 102 5.028 -11.521 1.854 1.00 0.00 ATOM 774 C LEU A 102 3.987 -11.820 0.768 1.00 0.00 ATOM 775 O LEU A 102 3.904 -12.945 0.259 1.00 0.00 ATOM 776 CB LEU A 102 4.338 -11.419 3.215 1.00 0.00 ATOM 777 CG LEU A 102 3.989 -12.625 4.091 1.00 0.00 ATOM 778 CD1 LEU A 102 5.269 -13.374 4.514 1.00 0.00 ATOM 779 CD2 LEU A 102 3.237 -12.115 5.335 1.00 0.00 ATOM 780 N ALA A 103 3.219 -10.800 0.390 1.00 0.00 ATOM 781 CA ALA A 103 2.151 -10.947 -0.595 1.00 0.00 ATOM 782 C ALA A 103 2.513 -10.774 -2.066 1.00 0.00 ATOM 783 O ALA A 103 1.741 -11.163 -2.933 1.00 0.00 ATOM 784 CB ALA A 103 1.011 -10.008 -0.236 1.00 0.00 ATOM 785 N LEU A 104 3.670 -10.189 -2.357 1.00 0.00 ATOM 786 CA LEU A 104 4.079 -9.957 -3.740 1.00 0.00 ATOM 787 C LEU A 104 3.924 -11.172 -4.652 1.00 0.00 ATOM 788 O LEU A 104 3.342 -11.054 -5.736 1.00 0.00 ATOM 789 CB LEU A 104 5.526 -9.475 -3.793 1.00 0.00 ATOM 790 CG LEU A 104 6.030 -8.441 -4.803 1.00 0.00 ATOM 791 CD1 LEU A 104 7.479 -8.762 -5.100 1.00 0.00 ATOM 792 CD2 LEU A 104 5.251 -8.430 -6.068 1.00 0.00 ATOM 793 N PRO A 105 4.418 -12.364 -4.229 1.00 0.00 ATOM 794 CA PRO A 105 4.253 -13.497 -5.148 1.00 0.00 ATOM 795 C PRO A 105 2.818 -13.896 -5.522 1.00 0.00 ATOM 796 O PRO A 105 2.592 -14.447 -6.584 1.00 0.00 ATOM 797 CB PRO A 105 5.071 -14.619 -4.491 1.00 0.00 ATOM 798 CG PRO A 105 5.286 -14.202 -3.104 1.00 0.00 ATOM 799 CD PRO A 105 5.311 -12.709 -3.106 1.00 0.00 ATOM 800 N TYR A 106 1.846 -13.533 -4.692 1.00 0.00 ATOM 801 CA TYR A 106 0.444 -13.847 -4.938 1.00 0.00 ATOM 802 C TYR A 106 -0.211 -12.772 -5.786 1.00 0.00 ATOM 803 O TYR A 106 -1.327 -12.951 -6.260 1.00 0.00 ATOM 804 CB TYR A 106 -0.313 -13.921 -3.609 1.00 0.00 ATOM 805 CG TYR A 106 0.192 -14.985 -2.686 1.00 0.00 ATOM 806 CD1 TYR A 106 1.329 -14.779 -1.894 1.00 0.00 ATOM 807 CD2 TYR A 106 -0.403 -16.245 -2.674 1.00 0.00 ATOM 808 CE1 TYR A 106 1.870 -15.828 -1.121 1.00 0.00 ATOM 809 CE2 TYR A 106 0.128 -17.292 -1.912 1.00 0.00 ATOM 810 CZ TYR A 106 1.263 -17.084 -1.149 1.00 0.00 ATOM 811 OH TYR A 106 1.816 -18.160 -0.486 1.00 0.00 ATOM 812 N ALA A 107 0.501 -11.667 -5.984 1.00 0.00 ATOM 813 CA ALA A 107 -0.020 -10.522 -6.724 1.00 0.00 ATOM 814 C ALA A 107 0.081 -10.514 -8.251 1.00 0.00 ATOM 815 O ALA A 107 1.050 -10.992 -8.828 1.00 0.00 ATOM 816 CB ALA A 107 0.604 -9.242 -6.167 1.00 0.00 ATOM 817 N THR A 108 -0.934 -9.936 -8.886 1.00 0.00 ATOM 818 CA THR A 108 -0.972 -9.789 -10.332 1.00 0.00 ATOM 819 C THR A 108 -1.245 -8.342 -10.703 1.00 0.00 ATOM 820 O THR A 108 -1.366 -8.020 -11.876 1.00 0.00 ATOM 821 CB THR A 108 -2.020 -10.685 -10.989 1.00 0.00 ATOM 822 OG1 THR A 108 -3.235 -10.632 -10.243 1.00 0.00 ATOM 823 CG2 THR A 108 -1.516 -12.129 -11.047 1.00 0.00 ATOM 824 N ARG A 109 -1.342 -7.471 -9.701 1.00 0.00 ATOM 825 CA ARG A 109 -1.564 -6.034 -9.912 1.00 0.00 ATOM 826 C ARG A 109 -0.864 -5.196 -8.845 1.00 0.00 ATOM 827 O ARG A 109 -0.805 -5.584 -7.677 1.00 0.00 ATOM 828 CB ARG A 109 -3.063 -5.674 -9.881 1.00 0.00 ATOM 829 CG ARG A 109 -3.816 -5.918 -11.163 1.00 0.00 ATOM 830 CD ARG A 109 -5.182 -5.266 -11.109 1.00 0.00 ATOM 831 NE ARG A 109 -5.137 -3.799 -11.111 1.00 0.00 ATOM 832 CZ ARG A 109 -6.198 -3.011 -10.913 1.00 0.00 ATOM 833 NH1 ARG A 109 -7.406 -3.532 -10.703 1.00 0.00 ATOM 834 NH2 ARG A 109 -6.042 -1.698 -10.848 1.00 0.00 ATOM 835 N CYS A 110 -0.318 -4.054 -9.260 1.00 0.00 ATOM 836 CA CYS A 110 0.324 -3.116 -8.344 1.00 0.00 ATOM 837 C CYS A 110 -0.106 -1.728 -8.763 1.00 0.00 ATOM 838 O CYS A 110 -0.067 -1.409 -9.940 1.00 0.00 ATOM 839 CB CYS A 110 1.845 -3.188 -8.421 1.00 0.00 ATOM 840 SG CYS A 110 2.590 -4.558 -7.552 1.00 0.00 ATOM 841 N GLU A 111 -0.565 -0.926 -7.810 1.00 0.00 ATOM 842 CA GLU A 111 -0.968 0.459 -8.070 1.00 0.00 ATOM 843 C GLU A 111 -0.006 1.265 -7.226 1.00 0.00 ATOM 844 O GLU A 111 -0.045 1.236 -5.995 1.00 0.00 ATOM 845 CB GLU A 111 -2.420 0.707 -7.663 1.00 0.00 ATOM 846 CG GLU A 111 -3.431 0.052 -8.596 1.00 0.00 ATOM 847 CD GLU A 111 -3.371 0.585 -10.039 1.00 0.00 ATOM 848 OE1 GLU A 111 -2.892 1.719 -10.252 1.00 0.00 ATOM 849 OE2 GLU A 111 -3.815 -0.132 -10.960 1.00 0.00 ATOM 850 N VAL A 112 0.886 1.964 -7.910 1.00 0.00 ATOM 851 CA VAL A 112 1.950 2.703 -7.257 1.00 0.00 ATOM 852 C VAL A 112 1.936 4.199 -7.480 1.00 0.00 ATOM 853 O VAL A 112 1.686 4.675 -8.588 1.00 0.00 ATOM 854 CB VAL A 112 3.320 2.173 -7.757 1.00 0.00 ATOM 855 CG1 VAL A 112 4.485 2.886 -7.050 1.00 0.00 ATOM 856 CG2 VAL A 112 3.397 0.645 -7.589 1.00 0.00 ATOM 857 N THR A 113 2.250 4.933 -6.421 1.00 0.00 ATOM 858 CA THR A 113 2.326 6.382 -6.494 1.00 0.00 ATOM 859 C THR A 113 3.775 6.733 -6.215 1.00 0.00 ATOM 860 O THR A 113 4.294 6.386 -5.157 1.00 0.00 ATOM 861 CB THR A 113 1.450 7.040 -5.415 1.00 0.00 ATOM 862 OG1 THR A 113 0.076 6.739 -5.670 1.00 0.00 ATOM 863 CG2 THR A 113 1.653 8.558 -5.396 1.00 0.00 ATOM 864 N GLU A 114 4.460 7.349 -7.178 1.00 0.00 ATOM 865 CA GLU A 114 5.842 7.752 -6.930 1.00 0.00 ATOM 866 C GLU A 114 5.846 9.221 -6.507 1.00 0.00 ATOM 867 O GLU A 114 5.254 10.064 -7.189 1.00 0.00 ATOM 868 CB GLU A 114 6.712 7.585 -8.166 1.00 0.00 ATOM 869 CG GLU A 114 8.168 7.951 -7.888 1.00 0.00 ATOM 870 CD GLU A 114 9.042 8.012 -9.134 1.00 0.00 ATOM 871 OE1 GLU A 114 8.547 7.750 -10.250 1.00 0.00 ATOM 872 OE2 GLU A 114 10.242 8.332 -8.995 1.00 0.00 ATOM 873 N VAL A 115 6.474 9.505 -5.365 1.00 0.00 ATOM 874 CA VAL A 115 6.584 10.855 -4.828 1.00 0.00 ATOM 875 C VAL A 115 8.000 11.383 -5.091 1.00 0.00 ATOM 876 O VAL A 115 8.995 10.803 -4.650 1.00 0.00 ATOM 877 CB VAL A 115 6.260 10.879 -3.330 1.00 0.00 ATOM 878 CG1 VAL A 115 6.280 12.310 -2.791 1.00 0.00 ATOM 879 CG2 VAL A 115 4.902 10.273 -3.105 1.00 0.00 ATOM 880 N ASP A 116 8.076 12.467 -5.858 1.00 0.00 ATOM 881 CA ASP A 116 9.348 13.079 -6.221 1.00 0.00 ATOM 882 C ASP A 116 9.914 13.906 -5.065 1.00 0.00 ATOM 883 O ASP A 116 9.948 15.137 -5.109 1.00 0.00 ATOM 884 CB ASP A 116 9.147 13.935 -7.472 1.00 0.00 ATOM 885 CG ASP A 116 10.450 14.425 -8.082 1.00 0.00 ATOM 886 OD1 ASP A 116 11.541 14.097 -7.581 1.00 0.00 ATOM 887 OD2 ASP A 116 10.378 15.162 -9.082 1.00 0.00 ATOM 888 N ILE A 117 10.376 13.207 -4.034 1.00 0.00 ATOM 889 CA ILE A 117 10.947 13.838 -2.850 1.00 0.00 ATOM 890 C ILE A 117 12.326 13.221 -2.584 1.00 0.00 ATOM 891 O ILE A 117 12.537 12.035 -2.846 1.00 0.00 ATOM 892 CB ILE A 117 10.022 13.615 -1.631 1.00 0.00 ATOM 893 CG1 ILE A 117 10.591 14.288 -0.386 1.00 0.00 ATOM 894 CG2 ILE A 117 9.804 12.105 -1.380 1.00 0.00 ATOM 895 CD1 ILE A 117 9.731 14.076 0.851 1.00 0.00 ATOM 896 N GLY A 118 13.274 14.044 -2.142 1.00 0.00 ATOM 897 CA GLY A 118 14.614 13.557 -1.840 1.00 0.00 ATOM 898 C GLY A 118 14.573 12.932 -0.468 1.00 0.00 ATOM 899 O GLY A 118 14.466 13.631 0.533 1.00 0.00 ATOM 900 N LEU A 119 14.680 11.611 -0.414 1.00 0.00 ATOM 901 CA LEU A 119 14.581 10.903 0.856 1.00 0.00 ATOM 902 C LEU A 119 15.355 9.590 0.793 1.00 0.00 ATOM 903 O LEU A 119 14.763 8.521 0.684 1.00 0.00 ATOM 904 CB LEU A 119 13.096 10.615 1.122 1.00 0.00 ATOM 905 CG LEU A 119 12.531 10.508 2.535 1.00 0.00 ATOM 906 CD1 LEU A 119 12.711 11.837 3.243 1.00 0.00 ATOM 907 CD2 LEU A 119 11.053 10.139 2.455 1.00 0.00 ATOM 908 N PRO A 120 16.693 9.657 0.840 1.00 0.00 ATOM 909 CA PRO A 120 17.548 8.461 0.788 1.00 0.00 ATOM 910 C PRO A 120 17.163 7.443 1.864 1.00 0.00 ATOM 911 O PRO A 120 16.686 7.823 2.940 1.00 0.00 ATOM 912 CB PRO A 120 18.941 9.040 1.040 1.00 0.00 ATOM 913 CG PRO A 120 18.851 10.414 0.431 1.00 0.00 ATOM 914 CD PRO A 120 17.504 10.885 0.924 1.00 0.00 ATOM 915 N ARG A 121 17.358 6.157 1.577 1.00 0.00 ATOM 916 CA ARG A 121 17.019 5.108 2.537 1.00 0.00 ATOM 917 C ARG A 121 17.898 5.226 3.759 1.00 0.00 ATOM 918 O ARG A 121 19.066 5.586 3.661 1.00 0.00 ATOM 919 CB ARG A 121 17.255 3.702 1.973 1.00 0.00 ATOM 920 CG ARG A 121 16.642 3.391 0.625 1.00 0.00 ATOM 921 CD ARG A 121 17.323 2.150 0.014 1.00 0.00 ATOM 922 NE ARG A 121 17.316 2.135 -1.453 1.00 0.00 ATOM 923 CZ ARG A 121 17.717 3.145 -2.236 1.00 0.00 ATOM 924 NH1 ARG A 121 18.167 4.289 -1.717 1.00 0.00 ATOM 925 NH2 ARG A 121 17.674 3.011 -3.558 1.00 0.00 ATOM 926 N GLU A 122 17.322 4.896 4.904 1.00 0.00 ATOM 927 CA GLU A 122 18.017 4.887 6.173 1.00 0.00 ATOM 928 C GLU A 122 17.719 3.524 6.771 1.00 0.00 ATOM 929 O GLU A 122 16.665 2.952 6.515 1.00 0.00 ATOM 930 CB GLU A 122 17.499 5.996 7.080 1.00 0.00 ATOM 931 CG GLU A 122 18.024 7.358 6.694 1.00 0.00 ATOM 932 CD GLU A 122 17.303 8.496 7.380 1.00 0.00 ATOM 933 OE1 GLU A 122 17.475 9.642 6.927 1.00 0.00 ATOM 934 OE2 GLU A 122 16.552 8.264 8.350 1.00 0.00 ATOM 935 N ALA A 123 18.659 2.988 7.539 1.00 0.00 ATOM 936 CA ALA A 123 18.494 1.682 8.160 1.00 0.00 ATOM 937 C ALA A 123 17.209 1.614 8.962 1.00 0.00 ATOM 938 O ALA A 123 16.914 2.516 9.738 1.00 0.00 ATOM 939 CB ALA A 123 19.660 1.393 9.060 1.00 0.00 ATOM 940 N GLY A 124 16.431 0.561 8.756 1.00 0.00 ATOM 941 CA GLY A 124 15.198 0.425 9.505 1.00 0.00 ATOM 942 C GLY A 124 13.936 0.962 8.866 1.00 0.00 ATOM 943 O GLY A 124 12.855 0.763 9.414 1.00 0.00 ATOM 944 N ASP A 125 14.056 1.632 7.721 1.00 0.00 ATOM 945 CA ASP A 125 12.905 2.200 7.006 1.00 0.00 ATOM 946 C ASP A 125 12.052 1.107 6.406 1.00 0.00 ATOM 947 O ASP A 125 12.560 0.040 6.085 1.00 0.00 ATOM 948 CB ASP A 125 13.369 3.032 5.802 1.00 0.00 ATOM 949 CG ASP A 125 13.855 4.413 6.174 1.00 0.00 ATOM 950 OD1 ASP A 125 13.781 4.828 7.345 1.00 0.00 ATOM 951 OD2 ASP A 125 14.319 5.093 5.250 1.00 0.00 ATOM 952 N ALA A 126 10.768 1.386 6.212 1.00 0.00 ATOM 953 CA ALA A 126 9.892 0.429 5.548 1.00 0.00 ATOM 954 C ALA A 126 10.125 0.742 4.061 1.00 0.00 ATOM 955 O ALA A 126 10.179 1.916 3.663 1.00 0.00 ATOM 956 CB ALA A 126 8.433 0.666 5.936 1.00 0.00 ATOM 957 N LEU A 127 10.343 -0.297 3.260 1.00 0.00 ATOM 958 CA LEU A 127 10.599 -0.117 1.842 1.00 0.00 ATOM 959 C LEU A 127 9.588 -0.810 0.976 1.00 0.00 ATOM 960 O LEU A 127 9.004 -1.815 1.354 1.00 0.00 ATOM 961 CB LEU A 127 11.983 -0.653 1.477 1.00 0.00 ATOM 962 CG LEU A 127 13.172 -0.072 2.242 1.00 0.00 ATOM 963 CD1 LEU A 127 14.415 -0.859 1.917 1.00 0.00 ATOM 964 CD2 LEU A 127 13.344 1.382 1.878 1.00 0.00 ATOM 965 N ALA A 128 9.429 -0.283 -0.226 1.00 0.00 ATOM 966 CA ALA A 128 8.505 -0.830 -1.206 1.00 0.00 ATOM 967 C ALA A 128 9.127 -2.073 -1.844 1.00 0.00 ATOM 968 O ALA A 128 10.356 -2.229 -1.851 1.00 0.00 ATOM 969 CB ALA A 128 8.241 0.212 -2.268 1.00 0.00 ATOM 970 N PRO A 129 8.292 -3.006 -2.333 1.00 0.00 ATOM 971 CA PRO A 129 8.858 -4.202 -2.959 1.00 0.00 ATOM 972 C PRO A 129 9.407 -3.832 -4.339 1.00 0.00 ATOM 973 O PRO A 129 8.961 -2.857 -4.947 1.00 0.00 ATOM 974 CB PRO A 129 7.649 -5.130 -3.055 1.00 0.00 ATOM 975 CG PRO A 129 6.516 -4.183 -3.247 1.00 0.00 ATOM 976 CD PRO A 129 6.823 -3.096 -2.252 1.00 0.00 ATOM 977 N VAL A 130 10.433 -4.552 -4.795 1.00 0.00 ATOM 978 CA VAL A 130 11.017 -4.279 -6.108 1.00 0.00 ATOM 979 C VAL A 130 10.292 -5.126 -7.140 1.00 0.00 ATOM 980 O VAL A 130 10.098 -6.319 -6.932 1.00 0.00 ATOM 981 CB VAL A 130 12.525 -4.613 -6.169 1.00 0.00 ATOM 982 CG1 VAL A 130 13.093 -4.182 -7.525 1.00 0.00 ATOM 983 CG2 VAL A 130 13.273 -3.896 -5.048 1.00 0.00 ATOM 984 N LEU A 131 9.849 -4.489 -8.219 1.00 0.00 ATOM 985 CA LEU A 131 9.134 -5.182 -9.277 1.00 0.00 ATOM 986 C LEU A 131 10.103 -5.605 -10.373 1.00 0.00 ATOM 987 O LEU A 131 10.759 -4.772 -11.000 1.00 0.00 ATOM 988 CB LEU A 131 8.019 -4.297 -9.842 1.00 0.00 ATOM 989 CG LEU A 131 7.028 -3.761 -8.800 1.00 0.00 ATOM 990 CD1 LEU A 131 5.901 -3.052 -9.496 1.00 0.00 ATOM 991 CD2 LEU A 131 6.488 -4.882 -7.946 1.00 0.00 ATOM 992 N ASP A 132 10.242 -6.914 -10.544 1.00 0.00 ATOM 993 CA ASP A 132 11.139 -7.447 -11.556 1.00 0.00 ATOM 994 C ASP A 132 10.514 -7.379 -12.950 1.00 0.00 ATOM 995 O ASP A 132 9.450 -6.783 -13.132 1.00 0.00 ATOM 996 CB ASP A 132 11.580 -8.867 -11.194 1.00 0.00 ATOM 997 CG ASP A 132 10.433 -9.865 -11.181 1.00 0.00 ATOM 998 OD1 ASP A 132 10.629 -10.970 -10.635 1.00 0.00 ATOM 999 OD2 ASP A 132 9.343 -9.576 -11.717 1.00 0.00 ATOM 1000 N GLU A 133 11.137 -8.042 -13.920 1.00 0.00 ATOM 1001 CA GLU A 133 10.622 -7.982 -15.272 1.00 0.00 ATOM 1002 C GLU A 133 9.421 -8.837 -15.618 1.00 0.00 ATOM 1003 O GLU A 133 9.065 -8.926 -16.783 1.00 0.00 ATOM 1004 CB GLU A 133 11.740 -8.134 -16.304 1.00 0.00 ATOM 1005 CG GLU A 133 11.960 -6.869 -17.171 1.00 0.00 ATOM 1006 CD GLU A 133 10.889 -6.672 -18.276 1.00 0.00 ATOM 1007 OE1 GLU A 133 9.817 -6.067 -17.993 1.00 0.00 ATOM 1008 OE2 GLU A 133 11.128 -7.114 -19.436 1.00 0.00 ATOM 1009 N THR A 134 8.775 -9.446 -14.623 1.00 0.00 ATOM 1010 CA THR A 134 7.565 -10.228 -14.898 1.00 0.00 ATOM 1011 C THR A 134 6.405 -9.236 -15.006 1.00 0.00 ATOM 1012 O THR A 134 5.350 -9.541 -15.569 1.00 0.00 ATOM 1013 CB THR A 134 7.241 -11.272 -13.784 1.00 0.00 ATOM 1014 OG1 THR A 134 7.174 -10.640 -12.496 1.00 0.00 ATOM 1015 CG2 THR A 134 8.288 -12.354 -13.756 1.00 0.00 ATOM 1016 N TRP A 135 6.651 -8.020 -14.516 1.00 0.00 ATOM 1017 CA TRP A 135 5.669 -6.943 -14.495 1.00 0.00 ATOM 1018 C TRP A 135 5.685 -6.022 -15.704 1.00 0.00 ATOM 1019 O TRP A 135 6.748 -5.619 -16.170 1.00 0.00 ATOM 1020 CB TRP A 135 5.891 -6.094 -13.247 1.00 0.00 ATOM 1021 CG TRP A 135 5.656 -6.832 -11.967 1.00 0.00 ATOM 1022 CD1 TRP A 135 6.596 -7.416 -11.167 1.00 0.00 ATOM 1023 CD2 TRP A 135 4.400 -7.011 -11.307 1.00 0.00 ATOM 1024 NE1 TRP A 135 6.003 -7.938 -10.044 1.00 0.00 ATOM 1025 CE2 TRP A 135 4.654 -7.701 -10.105 1.00 0.00 ATOM 1026 CE3 TRP A 135 3.080 -6.646 -11.611 1.00 0.00 ATOM 1027 CZ2 TRP A 135 3.639 -8.033 -9.205 1.00 0.00 ATOM 1028 CZ3 TRP A 135 2.074 -6.976 -10.716 1.00 0.00 ATOM 1029 CH2 TRP A 135 2.359 -7.663 -9.528 1.00 0.00 ATOM 1030 N ARG A 136 4.497 -5.675 -16.188 1.00 0.00 ATOM 1031 CA ARG A 136 4.332 -4.750 -17.309 1.00 0.00 ATOM 1032 C ARG A 136 3.676 -3.501 -16.722 1.00 0.00 ATOM 1033 O ARG A 136 2.680 -3.609 -16.004 1.00 0.00 ATOM 1034 CB ARG A 136 3.393 -5.332 -18.371 1.00 0.00 ATOM 1035 CG ARG A 136 3.955 -6.493 -19.180 1.00 0.00 ATOM 1036 CD ARG A 136 3.807 -7.829 -18.453 1.00 0.00 ATOM 1037 NE ARG A 136 2.405 -8.195 -18.226 1.00 0.00 ATOM 1038 CZ ARG A 136 1.722 -9.078 -18.959 1.00 0.00 ATOM 1039 NH1 ARG A 136 2.310 -9.695 -19.982 1.00 0.00 ATOM 1040 NH2 ARG A 136 0.455 -9.367 -18.652 1.00 0.00 ATOM 1041 N GLY A 137 4.192 -2.318 -17.032 1.00 0.00 ATOM 1042 CA GLY A 137 3.575 -1.127 -16.474 1.00 0.00 ATOM 1043 C GLY A 137 3.272 0.049 -17.386 1.00 0.00 ATOM 1044 O GLY A 137 3.739 0.110 -18.520 1.00 0.00 ATOM 1045 N GLU A 138 2.428 0.954 -16.892 1.00 0.00 ATOM 1046 CA GLU A 138 2.061 2.179 -17.603 1.00 0.00 ATOM 1047 C GLU A 138 2.295 3.306 -16.628 1.00 0.00 ATOM 1048 O GLU A 138 1.770 3.286 -15.521 1.00 0.00 ATOM 1049 CB GLU A 138 0.591 2.204 -18.014 1.00 0.00 ATOM 1050 CG GLU A 138 0.143 1.014 -18.794 1.00 0.00 ATOM 1051 CD GLU A 138 -0.638 0.069 -17.923 1.00 0.00 ATOM 1052 OE1 GLU A 138 -0.100 -1.010 -17.568 1.00 0.00 ATOM 1053 OE2 GLU A 138 -1.787 0.433 -17.571 1.00 0.00 ATOM 1054 N THR A 139 3.092 4.279 -17.051 1.00 0.00 ATOM 1055 CA THR A 139 3.432 5.435 -16.238 1.00 0.00 ATOM 1056 C THR A 139 2.562 6.631 -16.593 1.00 0.00 ATOM 1057 O THR A 139 2.492 7.021 -17.758 1.00 0.00 ATOM 1058 CB THR A 139 4.883 5.844 -16.474 1.00 0.00 ATOM 1059 OG1 THR A 139 5.706 4.672 -16.522 1.00 0.00 ATOM 1060 CG2 THR A 139 5.361 6.738 -15.355 1.00 0.00 ATOM 1061 N GLY A 140 1.903 7.203 -15.588 1.00 0.00 ATOM 1062 CA GLY A 140 1.067 8.368 -15.804 1.00 0.00 ATOM 1063 C GLY A 140 1.920 9.620 -15.839 1.00 0.00 ATOM 1064 O GLY A 140 3.127 9.553 -15.641 1.00 0.00 ATOM 1065 N GLU A 141 1.293 10.766 -16.070 1.00 0.00 ATOM 1066 CA GLU A 141 2.012 12.031 -16.141 1.00 0.00 ATOM 1067 C GLU A 141 2.264 12.626 -14.778 1.00 0.00 ATOM 1068 O GLU A 141 1.414 12.541 -13.901 1.00 0.00 ATOM 1069 CB GLU A 141 1.232 13.042 -16.983 1.00 0.00 ATOM 1070 CG GLU A 141 1.127 12.675 -18.468 1.00 0.00 ATOM 1071 CD GLU A 141 2.486 12.537 -19.158 1.00 0.00 ATOM 1072 OE1 GLU A 141 2.698 11.511 -19.846 1.00 0.00 ATOM 1073 OE2 GLU A 141 3.340 13.446 -19.019 1.00 0.00 ATOM 1074 N TRP A 142 3.437 13.226 -14.603 1.00 0.00 ATOM 1075 CA TRP A 142 3.771 13.864 -13.341 1.00 0.00 ATOM 1076 C TRP A 142 2.756 14.987 -13.098 1.00 0.00 ATOM 1077 O TRP A 142 2.270 15.606 -14.042 1.00 0.00 ATOM 1078 CB TRP A 142 5.178 14.463 -13.385 1.00 0.00 ATOM 1079 CG TRP A 142 6.325 13.494 -13.254 1.00 0.00 ATOM 1080 CD1 TRP A 142 7.202 13.135 -14.236 1.00 0.00 ATOM 1081 CD2 TRP A 142 6.801 12.862 -12.050 1.00 0.00 ATOM 1082 NE1 TRP A 142 8.201 12.332 -13.723 1.00 0.00 ATOM 1083 CE2 TRP A 142 7.978 12.150 -12.386 1.00 0.00 ATOM 1084 CE3 TRP A 142 6.354 12.839 -10.723 1.00 0.00 ATOM 1085 CZ2 TRP A 142 8.710 11.422 -11.444 1.00 0.00 ATOM 1086 CZ3 TRP A 142 7.082 12.116 -9.784 1.00 0.00 ATOM 1087 CH2 TRP A 142 8.248 11.416 -10.152 1.00 0.00 ATOM 1088 N ARG A 143 2.407 15.215 -11.839 1.00 0.00 ATOM 1089 CA ARG A 143 1.460 16.260 -11.473 1.00 0.00 ATOM 1090 C ARG A 143 2.019 16.926 -10.226 1.00 0.00 ATOM 1091 O ARG A 143 2.871 16.359 -9.549 1.00 0.00 ATOM 1092 CB ARG A 143 0.074 15.668 -11.142 1.00 0.00 ATOM 1093 CG ARG A 143 -0.463 14.584 -12.102 1.00 0.00 ATOM 1094 CD ARG A 143 -1.877 14.118 -11.684 1.00 0.00 ATOM 1095 NE ARG A 143 -2.332 12.898 -12.377 1.00 0.00 ATOM 1096 CZ ARG A 143 -3.182 11.997 -11.860 1.00 0.00 ATOM 1097 NH1 ARG A 143 -3.686 12.166 -10.635 1.00 0.00 ATOM 1098 NH2 ARG A 143 -3.542 10.923 -12.566 1.00 0.00 ATOM 1099 N PHE A 144 1.579 18.145 -9.940 1.00 0.00 ATOM 1100 CA PHE A 144 2.022 18.831 -8.733 1.00 0.00 ATOM 1101 C PHE A 144 0.923 18.777 -7.673 1.00 0.00 ATOM 1102 O PHE A 144 -0.218 19.157 -7.918 1.00 0.00 ATOM 1103 CB PHE A 144 2.374 20.311 -9.009 1.00 0.00 ATOM 1104 CG PHE A 144 3.851 20.572 -9.211 1.00 0.00 ATOM 1105 CD1 PHE A 144 4.348 20.885 -10.466 1.00 0.00 ATOM 1106 CD2 PHE A 144 4.735 20.516 -8.141 1.00 0.00 ATOM 1107 CE1 PHE A 144 5.696 21.137 -10.651 1.00 0.00 ATOM 1108 CE2 PHE A 144 6.087 20.767 -8.317 1.00 0.00 ATOM 1109 CZ PHE A 144 6.569 21.078 -9.575 1.00 0.00 ATOM 1110 N SER A 145 1.278 18.283 -6.498 1.00 0.00 ATOM 1111 CA SER A 145 0.366 18.213 -5.366 1.00 0.00 ATOM 1112 C SER A 145 0.286 19.615 -4.778 1.00 0.00 ATOM 1113 O SER A 145 1.195 20.421 -4.986 1.00 0.00 ATOM 1114 CB SER A 145 0.973 17.294 -4.317 1.00 0.00 ATOM 1115 OG SER A 145 0.492 17.604 -3.029 1.00 0.00 ATOM 1116 N ARG A 146 -0.762 19.921 -4.021 1.00 0.00 ATOM 1117 CA ARG A 146 -0.799 21.248 -3.427 1.00 0.00 ATOM 1118 C ARG A 146 0.220 21.336 -2.292 1.00 0.00 ATOM 1119 O ARG A 146 0.482 22.417 -1.779 1.00 0.00 ATOM 1120 CB ARG A 146 -2.193 21.651 -2.963 1.00 0.00 ATOM 1121 CG ARG A 146 -2.663 21.015 -1.707 1.00 0.00 ATOM 1122 CD ARG A 146 -4.070 20.505 -1.938 1.00 0.00 ATOM 1123 NE ARG A 146 -4.755 20.213 -0.684 1.00 0.00 ATOM 1124 CZ ARG A 146 -5.723 19.315 -0.550 1.00 0.00 ATOM 1125 NH1 ARG A 146 -6.134 18.594 -1.599 1.00 0.00 ATOM 1126 NH2 ARG A 146 -6.286 19.152 0.641 1.00 0.00 ATOM 1127 N SER A 147 0.806 20.202 -1.907 1.00 0.00 ATOM 1128 CA SER A 147 1.845 20.203 -0.873 1.00 0.00 ATOM 1129 C SER A 147 3.164 20.650 -1.551 1.00 0.00 ATOM 1130 O SER A 147 4.181 20.892 -0.889 1.00 0.00 ATOM 1131 CB SER A 147 2.008 18.810 -0.246 1.00 0.00 ATOM 1132 OG SER A 147 2.525 17.870 -1.180 1.00 0.00 ATOM 1133 N GLY A 148 3.128 20.769 -2.877 1.00 0.00 ATOM 1134 CA GLY A 148 4.297 21.190 -3.613 1.00 0.00 ATOM 1135 C GLY A 148 5.119 20.048 -4.153 1.00 0.00 ATOM 1136 O GLY A 148 6.060 20.269 -4.910 1.00 0.00 ATOM 1137 N LEU A 149 4.784 18.824 -3.766 1.00 0.00 ATOM 1138 CA LEU A 149 5.528 17.668 -4.241 1.00 0.00 ATOM 1139 C LEU A 149 4.998 17.202 -5.569 1.00 0.00 ATOM 1140 O LEU A 149 3.799 17.207 -5.810 1.00 0.00 ATOM 1141 CB LEU A 149 5.445 16.526 -3.233 1.00 0.00 ATOM 1142 CG LEU A 149 6.132 16.756 -1.895 1.00 0.00 ATOM 1143 CD1 LEU A 149 5.898 15.562 -1.020 1.00 0.00 ATOM 1144 CD2 LEU A 149 7.616 16.972 -2.084 1.00 0.00 ATOM 1145 N ARG A 150 5.905 16.830 -6.453 1.00 0.00 ATOM 1146 CA ARG A 150 5.514 16.318 -7.759 1.00 0.00 ATOM 1147 C ARG A 150 5.277 14.815 -7.539 1.00 0.00 ATOM 1148 O ARG A 150 5.957 14.198 -6.723 1.00 0.00 ATOM 1149 CB ARG A 150 6.665 16.550 -8.733 1.00 0.00 ATOM 1150 CG ARG A 150 6.272 16.927 -10.136 1.00 0.00 ATOM 1151 CD ARG A 150 7.485 17.466 -10.890 1.00 0.00 ATOM 1152 NE ARG A 150 8.546 16.467 -10.959 1.00 0.00 ATOM 1153 CZ ARG A 150 8.910 15.824 -12.063 1.00 0.00 ATOM 1154 NH1 ARG A 150 8.307 16.073 -13.218 1.00 0.00 ATOM 1155 NH2 ARG A 150 9.851 14.899 -12.000 1.00 0.00 ATOM 1156 N TYR A 151 4.285 14.236 -8.201 1.00 0.00 ATOM 1157 CA TYR A 151 4.018 12.810 -8.047 1.00 0.00 ATOM 1158 C TYR A 151 3.398 12.249 -9.316 1.00 0.00 ATOM 1159 O TYR A 151 2.906 13.002 -10.158 1.00 0.00 ATOM 1160 CB TYR A 151 3.069 12.552 -6.868 1.00 0.00 ATOM 1161 CG TYR A 151 1.659 13.033 -7.111 1.00 0.00 ATOM 1162 CD1 TYR A 151 0.682 12.173 -7.608 1.00 0.00 ATOM 1163 CD2 TYR A 151 1.309 14.368 -6.890 1.00 0.00 ATOM 1164 CE1 TYR A 151 -0.609 12.633 -7.887 1.00 0.00 ATOM 1165 CE2 TYR A 151 0.019 14.837 -7.165 1.00 0.00 ATOM 1166 CZ TYR A 151 -0.931 13.965 -7.665 1.00 0.00 ATOM 1167 OH TYR A 151 -2.195 14.430 -7.961 1.00 0.00 ATOM 1168 N ARG A 152 3.474 10.931 -9.471 1.00 0.00 ATOM 1169 CA ARG A 152 2.865 10.259 -10.606 1.00 0.00 ATOM 1170 C ARG A 152 2.418 8.866 -10.230 1.00 0.00 ATOM 1171 O ARG A 152 2.920 8.270 -9.286 1.00 0.00 ATOM 1172 CB ARG A 152 3.769 10.228 -11.833 1.00 0.00 ATOM 1173 CG ARG A 152 5.071 9.525 -11.670 1.00 0.00 ATOM 1174 CD ARG A 152 5.712 9.376 -13.022 1.00 0.00 ATOM 1175 NE ARG A 152 7.075 8.903 -12.881 1.00 0.00 ATOM 1176 CZ ARG A 152 7.970 8.871 -13.863 1.00 0.00 ATOM 1177 NH1 ARG A 152 7.640 9.280 -15.077 1.00 0.00 ATOM 1178 NH2 ARG A 152 9.217 8.491 -13.606 1.00 0.00 ATOM 1179 N LEU A 153 1.430 8.376 -10.964 1.00 0.00 ATOM 1180 CA LEU A 153 0.860 7.069 -10.718 1.00 0.00 ATOM 1181 C LEU A 153 1.334 6.056 -11.743 1.00 0.00 ATOM 1182 O LEU A 153 1.555 6.387 -12.906 1.00 0.00 ATOM 1183 CB LEU A 153 -0.668 7.153 -10.739 1.00 0.00 ATOM 1184 CG LEU A 153 -1.325 8.282 -9.924 1.00 0.00 ATOM 1185 CD1 LEU A 153 -2.852 8.179 -10.009 1.00 0.00 ATOM 1186 CD2 LEU A 153 -0.877 8.258 -8.477 1.00 0.00 ATOM 1187 N TYR A 154 1.539 4.829 -11.278 1.00 0.00 ATOM 1188 CA TYR A 154 1.967 3.710 -12.111 1.00 0.00 ATOM 1189 C TYR A 154 0.965 2.580 -11.938 1.00 0.00 ATOM 1190 O TYR A 154 0.433 2.366 -10.851 1.00 0.00 ATOM 1191 CB TYR A 154 3.305 3.163 -11.635 1.00 0.00 ATOM 1192 CG TYR A 154 4.537 3.955 -11.965 1.00 0.00 ATOM 1193 CD1 TYR A 154 4.975 4.978 -11.128 1.00 0.00 ATOM 1194 CD2 TYR A 154 5.339 3.596 -13.054 1.00 0.00 ATOM 1195 CE1 TYR A 154 6.191 5.617 -11.359 1.00 0.00 ATOM 1196 CE2 TYR A 154 6.545 4.224 -13.295 1.00 0.00 ATOM 1197 CZ TYR A 154 6.975 5.229 -12.446 1.00 0.00 ATOM 1198 OH TYR A 154 8.204 5.818 -12.655 1.00 0.00 ATOM 1199 N SER A 155 0.734 1.829 -13.003 1.00 0.00 ATOM 1200 CA SER A 155 -0.163 0.691 -12.954 1.00 0.00 ATOM 1201 C SER A 155 0.575 -0.478 -13.564 1.00 0.00 ATOM 1202 O SER A 155 1.016 -0.416 -14.711 1.00 0.00 ATOM 1203 CB SER A 155 -1.441 0.973 -13.724 1.00 0.00 ATOM 1204 OG SER A 155 -2.278 1.811 -12.958 1.00 0.00 ATOM 1205 N TYR A 156 0.773 -1.512 -12.756 1.00 0.00 ATOM 1206 CA TYR A 156 1.478 -2.701 -13.189 1.00 0.00 ATOM 1207 C TYR A 156 0.574 -3.894 -13.118 1.00 0.00 ATOM 1208 O TYR A 156 -0.313 -3.974 -12.265 1.00 0.00 ATOM 1209 CB TYR A 156 2.655 -2.988 -12.279 1.00 0.00 ATOM 1210 CG TYR A 156 3.749 -1.970 -12.293 1.00 0.00 ATOM 1211 CD1 TYR A 156 3.755 -0.923 -11.372 1.00 0.00 ATOM 1212 CD2 TYR A 156 4.827 -2.096 -13.166 1.00 0.00 ATOM 1213 CE1 TYR A 156 4.798 -0.038 -11.312 1.00 0.00 ATOM 1214 CE2 TYR A 156 5.883 -1.214 -13.114 1.00 0.00 ATOM 1215 CZ TYR A 156 5.863 -0.187 -12.182 1.00 0.00 ATOM 1216 OH TYR A 156 6.925 0.679 -12.091 1.00 0.00 ATOM 1217 N HIS A 157 0.865 -4.856 -13.984 1.00 0.00 ATOM 1218 CA HIS A 157 0.126 -6.102 -14.050 1.00 0.00 ATOM 1219 C HIS A 157 1.036 -7.207 -14.588 1.00 0.00 ATOM 1220 O HIS A 157 2.131 -6.954 -15.106 1.00 0.00 ATOM 1221 CB HIS A 157 -1.112 -5.951 -14.939 1.00 0.00 ATOM 1222 CG HIS A 157 -0.796 -5.532 -16.341 1.00 0.00 ATOM 1223 ND1 HIS A 157 -0.382 -4.254 -16.662 1.00 0.00 ATOM 1224 CD2 HIS A 157 -0.803 -6.229 -17.505 1.00 0.00 ATOM 1225 CE1 HIS A 157 -0.146 -4.184 -17.961 1.00 0.00 ATOM 1226 NE2 HIS A 157 -0.394 -5.368 -18.497 1.00 0.00 ATOM 1227 N ARG A 158 0.601 -8.438 -14.359 1.00 0.00 ATOM 1228 CA ARG A 158 1.283 -9.631 -14.822 1.00 0.00 ATOM 1229 C ARG A 158 0.252 -10.735 -14.697 1.00 0.00 ATOM 1230 O ARG A 158 -0.747 -10.579 -13.993 1.00 0.00 ATOM 1231 CB ARG A 158 2.541 -9.924 -14.001 1.00 0.00 ATOM 1232 CG ARG A 158 2.325 -10.464 -12.617 1.00 0.00 ATOM 1233 CD ARG A 158 3.664 -10.801 -11.994 1.00 0.00 ATOM 1234 NE ARG A 158 3.505 -11.145 -10.584 1.00 0.00 ATOM 1235 CZ ARG A 158 4.498 -11.450 -9.760 1.00 0.00 ATOM 1236 NH1 ARG A 158 5.749 -11.479 -10.194 1.00 0.00 ATOM 1237 NH2 ARG A 158 4.245 -11.665 -8.480 1.00 0.00 ATOM 1238 N SER A 159 0.433 -11.814 -15.442 1.00 0.00 ATOM 1239 CA SER A 159 -0.533 -12.901 -15.384 1.00 0.00 ATOM 1240 C SER A 159 -0.099 -14.117 -14.575 1.00 0.00 ATOM 1241 O SER A 159 -0.928 -15.051 -14.493 1.00 0.00 ATOM 1242 CB SER A 159 -0.960 -13.298 -16.792 1.00 0.00 ATOM 1243 OG SER A 159 -1.558 -12.189 -17.443 1.00 0.00 ATOM 1244 OXT SER A 159 1.011 -14.089 -13.973 1.00 0.00 TER 1245 SER A 159 MODEL 4 REMARK VINA RESULT: -6.6 4.385 7.258 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 -2.132 2.915 3.444 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -1.928 3.457 2.020 1.00 20.00 HETATM 3 C1 TOP A 201 -2.367 4.741 1.688 1.00 20.00 HETATM 4 N2 TOP A 201 -2.364 5.335 0.477 1.00 20.00 HETATM 5 C3 TOP A 201 -1.796 4.613 -0.563 1.00 20.00 HETATM 6 N5 TOP A 201 -1.186 3.365 -0.367 1.00 20.00 HETATM 7 C6 TOP A 201 -1.278 2.796 0.911 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 -1.814 5.149 -1.840 1.00 20.00 HETATM 9 H41 TOP A 201 -2.164 4.703 -2.655 1.00 20.00 HETATM 10 H42 TOP A 201 -1.470 6.091 -2.033 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 -0.691 1.556 0.994 1.00 20.00 HETATM 12 H71 TOP A 201 -0.727 0.825 0.305 1.00 20.00 HETATM 13 H72 TOP A 201 -0.151 1.273 1.801 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 -0.969 3.064 4.481 1.00 20.00 HETATM 15 C11 TOP A 201 -1.071 3.886 5.623 1.00 20.00 HETATM 16 C12 TOP A 201 0.012 4.145 6.496 1.00 20.00 HETATM 17 C15 TOP A 201 1.219 3.400 6.338 1.00 20.00 HETATM 18 C18 TOP A 201 1.301 2.460 5.266 1.00 20.00 HETATM 19 C21 TOP A 201 0.223 2.328 4.361 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 -0.180 4.942 7.619 1.00 20.00 HETATM 21 C14 TOP A 201 -1.402 5.658 7.774 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 2.205 3.439 7.298 1.00 20.00 HETATM 23 C17 TOP A 201 3.390 4.168 7.007 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 2.394 1.614 5.166 1.00 20.00 HETATM 25 C20 TOP A 201 2.582 0.927 3.933 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL laila/./outfile-laila-3.pdb0000664000076600007660000000460612307606044015235 0ustar galaxygalaxyMODEL 4 REMARK VINA RESULT: -6.6 4.385 7.258 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 -2.132 2.915 3.444 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -1.928 3.457 2.020 1.00 20.00 HETATM 3 C1 TOP A 201 -2.367 4.741 1.688 1.00 20.00 HETATM 4 N2 TOP A 201 -2.364 5.335 0.477 1.00 20.00 HETATM 5 C3 TOP A 201 -1.796 4.613 -0.563 1.00 20.00 HETATM 6 N5 TOP A 201 -1.186 3.365 -0.367 1.00 20.00 HETATM 7 C6 TOP A 201 -1.278 2.796 0.911 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 -1.814 5.149 -1.840 1.00 20.00 HETATM 9 H41 TOP A 201 -2.164 4.703 -2.655 1.00 20.00 HETATM 10 H42 TOP A 201 -1.470 6.091 -2.033 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 -0.691 1.556 0.994 1.00 20.00 HETATM 12 H71 TOP A 201 -0.727 0.825 0.305 1.00 20.00 HETATM 13 H72 TOP A 201 -0.151 1.273 1.801 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 -0.969 3.064 4.481 1.00 20.00 HETATM 15 C11 TOP A 201 -1.071 3.886 5.623 1.00 20.00 HETATM 16 C12 TOP A 201 0.012 4.145 6.496 1.00 20.00 HETATM 17 C15 TOP A 201 1.219 3.400 6.338 1.00 20.00 HETATM 18 C18 TOP A 201 1.301 2.460 5.266 1.00 20.00 HETATM 19 C21 TOP A 201 0.223 2.328 4.361 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 -0.180 4.942 7.619 1.00 20.00 HETATM 21 C14 TOP A 201 -1.402 5.658 7.774 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 2.205 3.439 7.298 1.00 20.00 HETATM 23 C17 TOP A 201 3.390 4.168 7.007 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 2.394 1.614 5.166 1.00 20.00 HETATM 25 C20 TOP A 201 2.582 0.927 3.933 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL laila/./complex-laila-6.pdb0000664000076600007660000024746612307606044015255 0ustar galaxygalaxyATOM 1 N MET A 1 -7.666 -12.503 -7.596 1.00 0.00 ATOM 2 CA MET A 1 -6.845 -11.294 -7.883 1.00 0.00 ATOM 3 C MET A 1 -6.358 -10.631 -6.595 1.00 0.00 ATOM 4 O MET A 1 -7.159 -10.238 -5.736 1.00 0.00 ATOM 5 CB MET A 1 -7.666 -10.277 -8.686 1.00 0.00 ATOM 6 CG MET A 1 -6.868 -9.138 -9.382 1.00 0.00 ATOM 7 SD MET A 1 -6.016 -7.851 -8.372 1.00 0.00 ATOM 8 CE MET A 1 -7.337 -7.058 -7.519 1.00 0.00 ATOM 9 N VAL A 2 -5.039 -10.569 -6.443 1.00 0.00 ATOM 10 CA VAL A 2 -4.432 -9.905 -5.306 1.00 0.00 ATOM 11 C VAL A 2 -3.626 -8.757 -5.882 1.00 0.00 ATOM 12 O VAL A 2 -2.848 -8.935 -6.820 1.00 0.00 ATOM 13 CB VAL A 2 -3.518 -10.833 -4.505 1.00 0.00 ATOM 14 CG1 VAL A 2 -2.790 -10.057 -3.441 1.00 0.00 ATOM 15 CG2 VAL A 2 -4.333 -11.907 -3.852 1.00 0.00 ATOM 16 N GLY A 3 -3.883 -7.561 -5.370 1.00 0.00 ATOM 17 CA GLY A 3 -3.157 -6.395 -5.826 1.00 0.00 ATOM 18 C GLY A 3 -2.468 -5.721 -4.668 1.00 0.00 ATOM 19 O GLY A 3 -2.866 -5.888 -3.520 1.00 0.00 ATOM 20 N LEU A 4 -1.386 -5.019 -4.962 1.00 0.00 ATOM 21 CA LEU A 4 -0.663 -4.285 -3.945 1.00 0.00 ATOM 22 C LEU A 4 -0.829 -2.807 -4.262 1.00 0.00 ATOM 23 O LEU A 4 -0.918 -2.440 -5.420 1.00 0.00 ATOM 24 CB LEU A 4 0.828 -4.629 -3.989 1.00 0.00 ATOM 25 CG LEU A 4 1.392 -5.804 -3.185 1.00 0.00 ATOM 26 CD1 LEU A 4 0.551 -7.043 -3.328 1.00 0.00 ATOM 27 CD2 LEU A 4 2.836 -6.059 -3.615 1.00 0.00 ATOM 28 N ILE A 5 -0.940 -1.967 -3.239 1.00 0.00 ATOM 29 CA ILE A 5 -1.043 -0.531 -3.464 1.00 0.00 ATOM 30 C ILE A 5 -0.207 0.196 -2.419 1.00 0.00 ATOM 31 O ILE A 5 -0.243 -0.143 -1.235 1.00 0.00 ATOM 32 CB ILE A 5 -2.525 -0.020 -3.488 1.00 0.00 ATOM 33 CG1 ILE A 5 -2.556 1.504 -3.678 1.00 0.00 ATOM 34 CG2 ILE A 5 -3.269 -0.410 -2.227 1.00 0.00 ATOM 35 CD1 ILE A 5 -3.933 2.054 -4.027 1.00 0.00 ATOM 36 N TRP A 6 0.628 1.123 -2.878 1.00 0.00 ATOM 37 CA TRP A 6 1.479 1.898 -1.989 1.00 0.00 ATOM 38 C TRP A 6 1.942 3.188 -2.655 1.00 0.00 ATOM 39 O TRP A 6 1.821 3.357 -3.868 1.00 0.00 ATOM 40 CB TRP A 6 2.719 1.088 -1.567 1.00 0.00 ATOM 41 CG TRP A 6 3.782 0.892 -2.652 1.00 0.00 ATOM 42 CD1 TRP A 6 4.800 1.754 -2.976 1.00 0.00 ATOM 43 CD2 TRP A 6 3.934 -0.246 -3.514 1.00 0.00 ATOM 44 NE1 TRP A 6 5.574 1.221 -3.979 1.00 0.00 ATOM 45 CE2 TRP A 6 5.065 -0.003 -4.329 1.00 0.00 ATOM 46 CE3 TRP A 6 3.229 -1.450 -3.669 1.00 0.00 ATOM 47 CZ2 TRP A 6 5.507 -0.919 -5.289 1.00 0.00 ATOM 48 CZ3 TRP A 6 3.669 -2.359 -4.621 1.00 0.00 ATOM 49 CH2 TRP A 6 4.799 -2.085 -5.419 1.00 0.00 ATOM 50 N ALA A 7 2.491 4.078 -1.838 1.00 0.00 ATOM 51 CA ALA A 7 3.047 5.354 -2.271 1.00 0.00 ATOM 52 C ALA A 7 4.509 5.327 -1.791 1.00 0.00 ATOM 53 O ALA A 7 4.778 5.052 -0.622 1.00 0.00 ATOM 54 CB ALA A 7 2.288 6.522 -1.613 1.00 0.00 ATOM 55 N GLN A 8 5.450 5.583 -2.693 1.00 0.00 ATOM 56 CA GLN A 8 6.860 5.559 -2.331 1.00 0.00 ATOM 57 C GLN A 8 7.632 6.758 -2.847 1.00 0.00 ATOM 58 O GLN A 8 7.283 7.331 -3.880 1.00 0.00 ATOM 59 CB GLN A 8 7.539 4.324 -2.923 1.00 0.00 ATOM 60 CG GLN A 8 7.620 4.364 -4.434 1.00 0.00 ATOM 61 CD GLN A 8 8.529 3.308 -5.000 1.00 0.00 ATOM 62 OE1 GLN A 8 8.129 2.168 -5.184 1.00 0.00 ATOM 63 NE2 GLN A 8 9.765 3.686 -5.296 1.00 0.00 ATOM 64 N ALA A 9 8.690 7.104 -2.113 1.00 0.00 ATOM 65 CA ALA A 9 9.607 8.159 -2.516 1.00 0.00 ATOM 66 C ALA A 9 10.380 7.485 -3.638 1.00 0.00 ATOM 67 O ALA A 9 10.480 6.260 -3.675 1.00 0.00 ATOM 68 CB ALA A 9 10.570 8.523 -1.364 1.00 0.00 ATOM 69 N THR A 10 10.903 8.265 -4.567 1.00 0.00 ATOM 70 CA THR A 10 11.675 7.712 -5.673 1.00 0.00 ATOM 71 C THR A 10 12.703 6.688 -5.168 1.00 0.00 ATOM 72 O THR A 10 12.987 5.686 -5.827 1.00 0.00 ATOM 73 CB THR A 10 12.396 8.862 -6.391 1.00 0.00 ATOM 74 OG1 THR A 10 11.411 9.718 -6.985 1.00 0.00 ATOM 75 CG2 THR A 10 13.361 8.343 -7.452 1.00 0.00 ATOM 76 N SER A 11 13.194 6.925 -3.959 1.00 0.00 ATOM 77 CA SER A 11 14.191 6.086 -3.312 1.00 0.00 ATOM 78 C SER A 11 13.677 4.725 -2.888 1.00 0.00 ATOM 79 O SER A 11 14.466 3.825 -2.601 1.00 0.00 ATOM 80 CB SER A 11 14.721 6.799 -2.079 1.00 0.00 ATOM 81 OG SER A 11 13.709 6.913 -1.093 1.00 0.00 ATOM 82 N GLY A 12 12.356 4.597 -2.784 1.00 0.00 ATOM 83 CA GLY A 12 11.761 3.333 -2.379 1.00 0.00 ATOM 84 C GLY A 12 11.257 3.333 -0.950 1.00 0.00 ATOM 85 O GLY A 12 10.607 2.380 -0.523 1.00 0.00 ATOM 86 N VAL A 13 11.535 4.408 -0.212 1.00 0.00 ATOM 87 CA VAL A 13 11.091 4.521 1.173 1.00 0.00 ATOM 88 C VAL A 13 9.592 4.738 1.196 1.00 0.00 ATOM 89 O VAL A 13 9.078 5.560 0.445 1.00 0.00 ATOM 90 CB VAL A 13 11.782 5.711 1.900 1.00 0.00 ATOM 91 CG1 VAL A 13 11.249 5.869 3.333 1.00 0.00 ATOM 92 CG2 VAL A 13 13.287 5.502 1.916 1.00 0.00 ATOM 93 N ILE A 14 8.888 3.952 2.005 1.00 0.00 ATOM 94 CA ILE A 14 7.449 4.104 2.127 1.00 0.00 ATOM 95 C ILE A 14 7.083 4.445 3.562 1.00 0.00 ATOM 96 O ILE A 14 6.001 4.960 3.822 1.00 0.00 ATOM 97 CB ILE A 14 6.648 2.833 1.700 1.00 0.00 ATOM 98 CG1 ILE A 14 6.988 1.644 2.596 1.00 0.00 ATOM 99 CG2 ILE A 14 6.872 2.524 0.242 1.00 0.00 ATOM 100 CD1 ILE A 14 6.010 0.468 2.490 1.00 0.00 ATOM 101 N GLY A 15 7.994 4.191 4.498 1.00 0.00 ATOM 102 CA GLY A 15 7.699 4.471 5.895 1.00 0.00 ATOM 103 C GLY A 15 8.940 4.712 6.725 1.00 0.00 ATOM 104 O GLY A 15 10.000 4.147 6.452 1.00 0.00 ATOM 105 N ARG A 16 8.804 5.566 7.734 1.00 0.00 ATOM 106 CA ARG A 16 9.905 5.906 8.632 1.00 0.00 ATOM 107 C ARG A 16 9.331 6.375 9.963 1.00 0.00 ATOM 108 O ARG A 16 8.442 7.217 9.985 1.00 0.00 ATOM 109 CB ARG A 16 10.781 7.004 8.026 1.00 0.00 ATOM 110 CG ARG A 16 11.960 7.387 8.905 1.00 0.00 ATOM 111 CD ARG A 16 12.892 8.330 8.189 1.00 0.00 ATOM 112 NE ARG A 16 13.458 7.722 6.993 1.00 0.00 ATOM 113 CZ ARG A 16 14.131 8.394 6.067 1.00 0.00 ATOM 114 NH1 ARG A 16 14.310 9.691 6.204 1.00 0.00 ATOM 115 NH2 ARG A 16 14.642 7.775 5.009 1.00 0.00 ATOM 116 N GLY A 17 9.825 5.814 11.068 1.00 0.00 ATOM 117 CA GLY A 17 9.339 6.191 12.390 1.00 0.00 ATOM 118 C GLY A 17 7.873 5.849 12.592 1.00 0.00 ATOM 119 O GLY A 17 7.176 6.454 13.409 1.00 0.00 ATOM 120 N GLY A 18 7.400 4.869 11.835 1.00 0.00 ATOM 121 CA GLY A 18 6.015 4.474 11.934 1.00 0.00 ATOM 122 C GLY A 18 5.066 5.376 11.166 1.00 0.00 ATOM 123 O GLY A 18 3.859 5.183 11.252 1.00 0.00 ATOM 124 N ASP A 19 5.588 6.326 10.392 1.00 0.00 ATOM 125 CA ASP A 19 4.741 7.244 9.620 1.00 0.00 ATOM 126 C ASP A 19 5.092 7.223 8.138 1.00 0.00 ATOM 127 O ASP A 19 6.038 6.562 7.726 1.00 0.00 ATOM 128 CB ASP A 19 4.943 8.700 10.087 1.00 0.00 ATOM 129 CG ASP A 19 4.688 8.901 11.574 1.00 0.00 ATOM 130 OD1 ASP A 19 5.505 9.604 12.222 1.00 0.00 ATOM 131 OD2 ASP A 19 3.676 8.375 12.088 1.00 0.00 ATOM 132 N ILE A 20 4.278 7.904 7.338 1.00 0.00 ATOM 133 CA ILE A 20 4.557 8.060 5.921 1.00 0.00 ATOM 134 C ILE A 20 5.328 9.381 5.998 1.00 0.00 ATOM 135 O ILE A 20 4.806 10.369 6.504 1.00 0.00 ATOM 136 CB ILE A 20 3.279 8.207 5.094 1.00 0.00 ATOM 137 CG1 ILE A 20 2.551 6.858 5.032 1.00 0.00 ATOM 138 CG2 ILE A 20 3.613 8.681 3.705 1.00 0.00 ATOM 139 CD1 ILE A 20 1.351 6.819 4.092 1.00 0.00 ATOM 140 N PRO A 21 6.577 9.414 5.506 1.00 0.00 ATOM 141 CA PRO A 21 7.424 10.608 5.542 1.00 0.00 ATOM 142 C PRO A 21 7.161 11.744 4.554 1.00 0.00 ATOM 143 O PRO A 21 8.101 12.386 4.085 1.00 0.00 ATOM 144 CB PRO A 21 8.841 10.039 5.361 1.00 0.00 ATOM 145 CG PRO A 21 8.653 8.531 5.121 1.00 0.00 ATOM 146 CD PRO A 21 7.228 8.354 4.725 1.00 0.00 ATOM 147 N TRP A 22 5.899 11.999 4.242 1.00 0.00 ATOM 148 CA TRP A 22 5.542 13.081 3.325 1.00 0.00 ATOM 149 C TRP A 22 4.056 13.356 3.383 1.00 0.00 ATOM 150 O TRP A 22 3.289 12.556 3.909 1.00 0.00 ATOM 151 CB TRP A 22 5.946 12.765 1.874 1.00 0.00 ATOM 152 CG TRP A 22 5.300 11.539 1.284 1.00 0.00 ATOM 153 CD1 TRP A 22 4.031 11.431 0.797 1.00 0.00 ATOM 154 CD2 TRP A 22 5.895 10.246 1.137 1.00 0.00 ATOM 155 NE1 TRP A 22 3.796 10.146 0.361 1.00 0.00 ATOM 156 CE2 TRP A 22 4.923 9.399 0.560 1.00 0.00 ATOM 157 CE3 TRP A 22 7.158 9.716 1.445 1.00 0.00 ATOM 158 CZ2 TRP A 22 5.171 8.056 0.285 1.00 0.00 ATOM 159 CZ3 TRP A 22 7.400 8.369 1.168 1.00 0.00 ATOM 160 CH2 TRP A 22 6.409 7.561 0.597 1.00 0.00 ATOM 161 N ARG A 23 3.665 14.501 2.840 1.00 0.00 ATOM 162 CA ARG A 23 2.262 14.893 2.793 1.00 0.00 ATOM 163 C ARG A 23 1.862 14.994 1.332 1.00 0.00 ATOM 164 O ARG A 23 2.514 15.679 0.538 1.00 0.00 ATOM 165 CB ARG A 23 1.993 16.228 3.514 1.00 0.00 ATOM 166 CG ARG A 23 3.174 16.877 4.228 1.00 0.00 ATOM 167 CD ARG A 23 4.185 17.444 3.223 1.00 0.00 ATOM 168 NE ARG A 23 5.295 16.523 2.965 1.00 0.00 ATOM 169 CZ ARG A 23 6.397 16.843 2.292 1.00 0.00 ATOM 170 NH1 ARG A 23 6.545 18.062 1.783 1.00 0.00 ATOM 171 NH2 ARG A 23 7.392 15.970 2.192 1.00 0.00 ATOM 172 N LEU A 24 0.805 14.271 0.985 1.00 0.00 ATOM 173 CA LEU A 24 0.281 14.219 -0.371 1.00 0.00 ATOM 174 C LEU A 24 -1.200 13.995 -0.195 1.00 0.00 ATOM 175 O LEU A 24 -1.671 12.863 -0.223 1.00 0.00 ATOM 176 CB LEU A 24 0.902 13.035 -1.135 1.00 0.00 ATOM 177 CG LEU A 24 0.633 12.905 -2.635 1.00 0.00 ATOM 178 CD1 LEU A 24 1.054 14.154 -3.341 1.00 0.00 ATOM 179 CD2 LEU A 24 1.411 11.758 -3.197 1.00 0.00 ATOM 180 N PRO A 25 -1.959 15.078 0.009 1.00 0.00 ATOM 181 CA PRO A 25 -3.407 15.018 0.204 1.00 0.00 ATOM 182 C PRO A 25 -4.194 14.334 -0.910 1.00 0.00 ATOM 183 O PRO A 25 -5.222 13.722 -0.635 1.00 0.00 ATOM 184 CB PRO A 25 -3.788 16.486 0.385 1.00 0.00 ATOM 185 CG PRO A 25 -2.724 17.222 -0.371 1.00 0.00 ATOM 186 CD PRO A 25 -1.488 16.473 0.021 1.00 0.00 ATOM 187 N GLU A 26 -3.696 14.383 -2.144 1.00 0.00 ATOM 188 CA GLU A 26 -4.383 13.750 -3.274 1.00 0.00 ATOM 189 C GLU A 26 -4.278 12.226 -3.254 1.00 0.00 ATOM 190 O GLU A 26 -4.952 11.535 -4.023 1.00 0.00 ATOM 191 CB GLU A 26 -3.813 14.248 -4.603 1.00 0.00 ATOM 192 CG GLU A 26 -3.989 15.732 -4.844 1.00 0.00 ATOM 193 CD GLU A 26 -2.898 16.573 -4.223 1.00 0.00 ATOM 194 OE1 GLU A 26 -2.070 16.028 -3.462 1.00 0.00 ATOM 195 OE2 GLU A 26 -2.867 17.793 -4.509 1.00 0.00 ATOM 196 N ASP A 27 -3.400 11.714 -2.400 1.00 0.00 ATOM 197 CA ASP A 27 -3.174 10.279 -2.296 1.00 0.00 ATOM 198 C ASP A 27 -4.391 9.570 -1.732 1.00 0.00 ATOM 199 O ASP A 27 -4.848 8.566 -2.276 1.00 0.00 ATOM 200 CB ASP A 27 -1.938 10.018 -1.423 1.00 0.00 ATOM 201 CG ASP A 27 -1.631 8.537 -1.236 1.00 0.00 ATOM 202 OD1 ASP A 27 -1.279 7.852 -2.212 1.00 0.00 ATOM 203 OD2 ASP A 27 -1.709 8.063 -0.089 1.00 0.00 ATOM 204 N GLN A 28 -4.946 10.149 -0.678 1.00 0.00 ATOM 205 CA GLN A 28 -6.104 9.590 0.013 1.00 0.00 ATOM 206 C GLN A 28 -7.252 9.211 -0.914 1.00 0.00 ATOM 207 O GLN A 28 -7.851 8.144 -0.766 1.00 0.00 ATOM 208 CB GLN A 28 -6.584 10.582 1.074 1.00 0.00 ATOM 209 CG GLN A 28 -5.429 11.160 1.904 1.00 0.00 ATOM 210 CD GLN A 28 -5.753 12.517 2.536 1.00 0.00 ATOM 211 OE1 GLN A 28 -6.578 13.292 2.020 1.00 0.00 ATOM 212 NE2 GLN A 28 -5.081 12.822 3.649 1.00 0.00 ATOM 213 N ALA A 29 -7.536 10.082 -1.879 1.00 0.00 ATOM 214 CA ALA A 29 -8.618 9.872 -2.829 1.00 0.00 ATOM 215 C ALA A 29 -8.303 8.806 -3.862 1.00 0.00 ATOM 216 O ALA A 29 -9.203 8.103 -4.319 1.00 0.00 ATOM 217 CB ALA A 29 -8.972 11.177 -3.507 1.00 0.00 ATOM 218 N HIS A 30 -7.044 8.718 -4.285 1.00 0.00 ATOM 219 CA HIS A 30 -6.665 7.697 -5.257 1.00 0.00 ATOM 220 C HIS A 30 -6.693 6.320 -4.573 1.00 0.00 ATOM 221 O HIS A 30 -7.133 5.326 -5.146 1.00 0.00 ATOM 222 CB HIS A 30 -5.277 7.966 -5.839 1.00 0.00 ATOM 223 CG HIS A 30 -4.825 6.897 -6.785 1.00 0.00 ATOM 224 ND1 HIS A 30 -3.750 6.071 -6.519 1.00 0.00 ATOM 225 CD2 HIS A 30 -5.347 6.468 -7.957 1.00 0.00 ATOM 226 CE1 HIS A 30 -3.633 5.179 -7.487 1.00 0.00 ATOM 227 NE2 HIS A 30 -4.588 5.397 -8.372 1.00 0.00 ATOM 228 N PHE A 31 -6.206 6.277 -3.343 1.00 0.00 ATOM 229 CA PHE A 31 -6.192 5.053 -2.560 1.00 0.00 ATOM 230 C PHE A 31 -7.633 4.585 -2.367 1.00 0.00 ATOM 231 O PHE A 31 -7.949 3.413 -2.574 1.00 0.00 ATOM 232 CB PHE A 31 -5.520 5.331 -1.210 1.00 0.00 ATOM 233 CG PHE A 31 -5.630 4.207 -0.216 1.00 0.00 ATOM 234 CD1 PHE A 31 -4.886 3.042 -0.370 1.00 0.00 ATOM 235 CD2 PHE A 31 -6.469 4.325 0.885 1.00 0.00 ATOM 236 CE1 PHE A 31 -4.972 2.014 0.556 1.00 0.00 ATOM 237 CE2 PHE A 31 -6.560 3.303 1.821 1.00 0.00 ATOM 238 CZ PHE A 31 -5.805 2.139 1.653 1.00 0.00 ATOM 239 N ARG A 32 -8.509 5.519 -2.010 1.00 0.00 ATOM 240 CA ARG A 32 -9.917 5.229 -1.786 1.00 0.00 ATOM 241 C ARG A 32 -10.570 4.670 -3.044 1.00 0.00 ATOM 242 O ARG A 32 -11.207 3.620 -3.008 1.00 0.00 ATOM 243 CB ARG A 32 -10.645 6.504 -1.341 1.00 0.00 ATOM 244 CG ARG A 32 -12.093 6.299 -0.929 1.00 0.00 ATOM 245 CD ARG A 32 -12.817 7.625 -0.717 1.00 0.00 ATOM 246 NE ARG A 32 -14.239 7.447 -0.370 1.00 0.00 ATOM 247 CZ ARG A 32 -15.183 6.942 -1.175 1.00 0.00 ATOM 248 NH1 ARG A 32 -14.887 6.545 -2.408 1.00 0.00 ATOM 249 NH2 ARG A 32 -16.433 6.822 -0.737 1.00 0.00 ATOM 250 N GLU A 33 -10.348 5.350 -4.164 1.00 0.00 ATOM 251 CA GLU A 33 -10.913 4.971 -5.445 1.00 0.00 ATOM 252 C GLU A 33 -10.592 3.528 -5.824 1.00 0.00 ATOM 253 O GLU A 33 -11.457 2.794 -6.302 1.00 0.00 ATOM 254 CB GLU A 33 -10.398 5.930 -6.529 1.00 0.00 ATOM 255 CG GLU A 33 -11.332 6.143 -7.718 1.00 0.00 ATOM 256 CD GLU A 33 -11.653 4.853 -8.465 1.00 0.00 ATOM 257 OE1 GLU A 33 -10.734 4.296 -9.114 1.00 0.00 ATOM 258 OE2 GLU A 33 -12.818 4.384 -8.385 1.00 0.00 ATOM 259 N ILE A 34 -9.354 3.118 -5.582 1.00 0.00 ATOM 260 CA ILE A 34 -8.901 1.777 -5.929 1.00 0.00 ATOM 261 C ILE A 34 -9.386 0.692 -4.964 1.00 0.00 ATOM 262 O ILE A 34 -9.823 -0.386 -5.395 1.00 0.00 ATOM 263 CB ILE A 34 -7.343 1.748 -6.011 1.00 0.00 ATOM 264 CG1 ILE A 34 -6.848 2.478 -7.270 1.00 0.00 ATOM 265 CG2 ILE A 34 -6.813 0.328 -5.939 1.00 0.00 ATOM 266 CD1 ILE A 34 -7.175 1.780 -8.566 1.00 0.00 ATOM 267 N THR A 35 -9.341 0.996 -3.669 1.00 0.00 ATOM 268 CA THR A 35 -9.709 0.037 -2.634 1.00 0.00 ATOM 269 C THR A 35 -11.167 -0.058 -2.203 1.00 0.00 ATOM 270 O THR A 35 -11.588 -1.093 -1.691 1.00 0.00 ATOM 271 CB THR A 35 -8.831 0.239 -1.366 1.00 0.00 ATOM 272 OG1 THR A 35 -9.074 1.530 -0.780 1.00 0.00 ATOM 273 CG2 THR A 35 -7.357 0.114 -1.723 1.00 0.00 ATOM 274 N MET A 36 -11.944 0.997 -2.430 1.00 0.00 ATOM 275 CA MET A 36 -13.336 1.027 -1.993 1.00 0.00 ATOM 276 C MET A 36 -14.174 -0.193 -2.371 1.00 0.00 ATOM 277 O MET A 36 -14.125 -0.665 -3.497 1.00 0.00 ATOM 278 CB MET A 36 -14.010 2.316 -2.471 1.00 0.00 ATOM 279 CG MET A 36 -15.363 2.562 -1.818 1.00 0.00 ATOM 280 SD MET A 36 -15.317 2.566 -0.000 1.00 0.00 ATOM 281 CE MET A 36 -14.159 3.876 0.311 1.00 0.00 ATOM 282 N GLY A 37 -14.916 -0.721 -1.396 1.00 0.00 ATOM 283 CA GLY A 37 -15.761 -1.880 -1.632 1.00 0.00 ATOM 284 C GLY A 37 -15.056 -3.229 -1.665 1.00 0.00 ATOM 285 O GLY A 37 -15.703 -4.259 -1.875 1.00 0.00 ATOM 286 N HIS A 38 -13.744 -3.248 -1.455 1.00 0.00 ATOM 287 CA HIS A 38 -13.010 -4.505 -1.491 1.00 0.00 ATOM 288 C HIS A 38 -12.480 -4.894 -0.138 1.00 0.00 ATOM 289 O HIS A 38 -12.702 -4.211 0.850 1.00 0.00 ATOM 290 CB HIS A 38 -11.841 -4.432 -2.482 1.00 0.00 ATOM 291 CG HIS A 38 -12.260 -4.148 -3.890 1.00 0.00 ATOM 292 ND1 HIS A 38 -13.173 -4.932 -4.566 1.00 0.00 ATOM 293 CD2 HIS A 38 -11.940 -3.136 -4.728 1.00 0.00 ATOM 294 CE1 HIS A 38 -13.403 -4.409 -5.756 1.00 0.00 ATOM 295 NE2 HIS A 38 -12.668 -3.319 -5.879 1.00 0.00 ATOM 296 N THR A 39 -11.869 -6.067 -0.084 1.00 0.00 ATOM 297 CA THR A 39 -11.259 -6.529 1.142 1.00 0.00 ATOM 298 C THR A 39 -9.863 -5.925 1.094 1.00 0.00 ATOM 299 O THR A 39 -9.238 -5.868 0.027 1.00 0.00 ATOM 300 CB THR A 39 -11.154 -8.081 1.181 1.00 0.00 ATOM 301 OG1 THR A 39 -12.449 -8.637 1.411 1.00 0.00 ATOM 302 CG2 THR A 39 -10.218 -8.543 2.296 1.00 0.00 ATOM 303 N ILE A 40 -9.410 -5.393 2.225 1.00 0.00 ATOM 304 CA ILE A 40 -8.068 -4.826 2.301 1.00 0.00 ATOM 305 C ILE A 40 -7.246 -5.562 3.363 1.00 0.00 ATOM 306 O ILE A 40 -7.737 -5.844 4.452 1.00 0.00 ATOM 307 CB ILE A 40 -8.098 -3.308 2.591 1.00 0.00 ATOM 308 CG1 ILE A 40 -8.798 -3.031 3.911 1.00 0.00 ATOM 309 CG2 ILE A 40 -8.824 -2.573 1.463 1.00 0.00 ATOM 310 CD1 ILE A 40 -8.736 -1.604 4.296 1.00 0.00 ATOM 311 N VAL A 41 -6.025 -5.942 3.003 1.00 0.00 ATOM 312 CA VAL A 41 -5.128 -6.650 3.913 1.00 0.00 ATOM 313 C VAL A 41 -3.934 -5.778 4.331 1.00 0.00 ATOM 314 O VAL A 41 -3.319 -5.111 3.509 1.00 0.00 ATOM 315 CB VAL A 41 -4.654 -7.973 3.274 1.00 0.00 ATOM 316 CG1 VAL A 41 -3.593 -8.651 4.140 1.00 0.00 ATOM 317 CG2 VAL A 41 -5.835 -8.881 3.094 1.00 0.00 ATOM 318 N MET A 42 -3.626 -5.774 5.623 1.00 0.00 ATOM 319 CA MET A 42 -2.522 -4.979 6.127 1.00 0.00 ATOM 320 C MET A 42 -1.817 -5.675 7.293 1.00 0.00 ATOM 321 O MET A 42 -2.404 -6.524 7.968 1.00 0.00 ATOM 322 CB MET A 42 -3.051 -3.626 6.609 1.00 0.00 ATOM 323 CG MET A 42 -3.849 -3.719 7.916 1.00 0.00 ATOM 324 SD MET A 42 -4.709 -2.223 8.288 1.00 0.00 ATOM 325 CE MET A 42 -6.237 -2.544 7.404 1.00 0.00 ATOM 326 N GLY A 43 -0.551 -5.326 7.506 1.00 0.00 ATOM 327 CA GLY A 43 0.185 -5.871 8.631 1.00 0.00 ATOM 328 C GLY A 43 -0.224 -5.129 9.890 1.00 0.00 ATOM 329 O GLY A 43 -0.690 -3.997 9.826 1.00 0.00 ATOM 330 N ARG A 44 -0.031 -5.757 11.043 1.00 0.00 ATOM 331 CA ARG A 44 -0.402 -5.174 12.326 1.00 0.00 ATOM 332 C ARG A 44 0.132 -3.763 12.530 1.00 0.00 ATOM 333 O ARG A 44 -0.547 -2.894 13.077 1.00 0.00 ATOM 334 CB ARG A 44 0.074 -6.106 13.450 1.00 0.00 ATOM 335 CG ARG A 44 -0.524 -5.833 14.825 1.00 0.00 ATOM 336 CD ARG A 44 0.373 -4.957 15.655 1.00 0.00 ATOM 337 NE ARG A 44 1.670 -5.592 15.869 1.00 0.00 ATOM 338 CZ ARG A 44 2.760 -4.945 16.274 1.00 0.00 ATOM 339 NH1 ARG A 44 2.717 -3.642 16.513 1.00 0.00 ATOM 340 NH2 ARG A 44 3.899 -5.600 16.426 1.00 0.00 ATOM 341 N ARG A 45 1.361 -3.531 12.105 1.00 0.00 ATOM 342 CA ARG A 45 1.953 -2.214 12.262 1.00 0.00 ATOM 343 C ARG A 45 1.273 -1.156 11.412 1.00 0.00 ATOM 344 O ARG A 45 1.250 0.018 11.788 1.00 0.00 ATOM 345 CB ARG A 45 3.433 -2.250 11.946 1.00 0.00 ATOM 346 CG ARG A 45 4.264 -2.998 12.936 1.00 0.00 ATOM 347 CD ARG A 45 5.688 -2.749 12.567 1.00 0.00 ATOM 348 NE ARG A 45 6.623 -3.333 13.499 1.00 0.00 ATOM 349 CZ ARG A 45 7.877 -3.628 13.178 1.00 0.00 ATOM 350 NH1 ARG A 45 8.320 -3.384 11.948 1.00 0.00 ATOM 351 NH2 ARG A 45 8.685 -4.177 14.080 1.00 0.00 ATOM 352 N THR A 46 0.782 -1.540 10.236 1.00 0.00 ATOM 353 CA THR A 46 0.077 -0.582 9.390 1.00 0.00 ATOM 354 C THR A 46 -1.250 -0.245 10.080 1.00 0.00 ATOM 355 O THR A 46 -1.678 0.907 10.107 1.00 0.00 ATOM 356 CB THR A 46 -0.154 -1.140 7.971 1.00 0.00 ATOM 357 OG1 THR A 46 1.106 -1.230 7.298 1.00 0.00 ATOM 358 CG2 THR A 46 -1.048 -0.223 7.166 1.00 0.00 ATOM 359 N TRP A 47 -1.872 -1.256 10.679 1.00 0.00 ATOM 360 CA TRP A 47 -3.115 -1.055 11.402 1.00 0.00 ATOM 361 C TRP A 47 -2.878 -0.041 12.524 1.00 0.00 ATOM 362 O TRP A 47 -3.661 0.889 12.690 1.00 0.00 ATOM 363 CB TRP A 47 -3.612 -2.376 11.994 1.00 0.00 ATOM 364 CG TRP A 47 -4.765 -2.169 12.941 1.00 0.00 ATOM 365 CD1 TRP A 47 -4.698 -2.091 14.300 1.00 0.00 ATOM 366 CD2 TRP A 47 -6.158 -2.025 12.597 1.00 0.00 ATOM 367 NE1 TRP A 47 -5.957 -1.911 14.825 1.00 0.00 ATOM 368 CE2 TRP A 47 -6.871 -1.876 13.803 1.00 0.00 ATOM 369 CE3 TRP A 47 -6.873 -2.024 11.387 1.00 0.00 ATOM 370 CZ2 TRP A 47 -8.269 -1.728 13.839 1.00 0.00 ATOM 371 CZ3 TRP A 47 -8.268 -1.876 11.421 1.00 0.00 ATOM 372 CH2 TRP A 47 -8.944 -1.731 12.640 1.00 0.00 ATOM 373 N ASP A 48 -1.801 -0.233 13.294 1.00 0.00 ATOM 374 CA ASP A 48 -1.444 0.680 14.389 1.00 0.00 ATOM 375 C ASP A 48 -1.166 2.086 13.871 1.00 0.00 ATOM 376 O ASP A 48 -1.431 3.070 14.551 1.00 0.00 ATOM 377 CB ASP A 48 -0.210 0.176 15.141 1.00 0.00 ATOM 378 CG ASP A 48 -0.474 -1.104 15.924 1.00 0.00 ATOM 379 OD1 ASP A 48 0.508 -1.822 16.198 1.00 0.00 ATOM 380 OD2 ASP A 48 -1.640 -1.395 16.276 1.00 0.00 ATOM 381 N SER A 49 -0.650 2.164 12.649 1.00 0.00 ATOM 382 CA SER A 49 -0.326 3.424 11.995 1.00 0.00 ATOM 383 C SER A 49 -1.577 4.215 11.592 1.00 0.00 ATOM 384 O SER A 49 -1.538 5.435 11.460 1.00 0.00 ATOM 385 CB SER A 49 0.535 3.136 10.761 1.00 0.00 ATOM 386 OG SER A 49 1.005 4.326 10.156 1.00 0.00 ATOM 387 N LEU A 50 -2.687 3.524 11.373 1.00 0.00 ATOM 388 CA LEU A 50 -3.911 4.210 10.987 1.00 0.00 ATOM 389 C LEU A 50 -4.449 5.055 12.142 1.00 0.00 ATOM 390 O LEU A 50 -4.480 4.600 13.294 1.00 0.00 ATOM 391 CB LEU A 50 -4.985 3.201 10.565 1.00 0.00 ATOM 392 CG LEU A 50 -4.779 2.349 9.315 1.00 0.00 ATOM 393 CD1 LEU A 50 -5.925 1.369 9.172 1.00 0.00 ATOM 394 CD2 LEU A 50 -4.684 3.244 8.100 1.00 0.00 ATOM 395 N PRO A 51 -4.837 6.317 11.863 1.00 0.00 ATOM 396 CA PRO A 51 -5.379 7.165 12.932 1.00 0.00 ATOM 397 C PRO A 51 -6.633 6.473 13.484 1.00 0.00 ATOM 398 O PRO A 51 -7.413 5.888 12.723 1.00 0.00 ATOM 399 CB PRO A 51 -5.748 8.447 12.189 1.00 0.00 ATOM 400 CG PRO A 51 -4.734 8.504 11.088 1.00 0.00 ATOM 401 CD PRO A 51 -4.709 7.073 10.601 1.00 0.00 ATOM 402 N ALA A 52 -6.809 6.515 14.801 1.00 0.00 ATOM 403 CA ALA A 52 -7.959 5.886 15.450 1.00 0.00 ATOM 404 C ALA A 52 -9.321 6.300 14.895 1.00 0.00 ATOM 405 O ALA A 52 -10.250 5.496 14.841 1.00 0.00 ATOM 406 CB ALA A 52 -7.916 6.148 16.934 1.00 0.00 ATOM 407 N LYS A 53 -9.445 7.549 14.469 1.00 0.00 ATOM 408 CA LYS A 53 -10.711 8.026 13.938 1.00 0.00 ATOM 409 C LYS A 53 -11.013 7.506 12.543 1.00 0.00 ATOM 410 O LYS A 53 -12.160 7.531 12.119 1.00 0.00 ATOM 411 CB LYS A 53 -10.767 9.555 13.960 1.00 0.00 ATOM 412 CG LYS A 53 -9.831 10.241 12.993 1.00 0.00 ATOM 413 CD LYS A 53 -9.901 11.752 13.143 1.00 0.00 ATOM 414 CE LYS A 53 -9.174 12.463 11.995 1.00 0.00 ATOM 415 NZ LYS A 53 -7.769 11.964 11.782 1.00 0.00 ATOM 416 N VAL A 54 -9.999 7.024 11.830 1.00 0.00 ATOM 417 CA VAL A 54 -10.225 6.516 10.472 1.00 0.00 ATOM 418 C VAL A 54 -10.237 4.989 10.334 1.00 0.00 ATOM 419 O VAL A 54 -10.530 4.483 9.260 1.00 0.00 ATOM 420 CB VAL A 54 -9.221 7.125 9.416 1.00 0.00 ATOM 421 CG1 VAL A 54 -8.982 8.609 9.679 1.00 0.00 ATOM 422 CG2 VAL A 54 -7.902 6.364 9.385 1.00 0.00 ATOM 423 N ARG A 55 -9.949 4.256 11.409 1.00 0.00 ATOM 424 CA ARG A 55 -9.922 2.798 11.350 1.00 0.00 ATOM 425 C ARG A 55 -11.078 2.142 12.099 1.00 0.00 ATOM 426 O ARG A 55 -11.422 2.557 13.202 1.00 0.00 ATOM 427 CB ARG A 55 -8.614 2.275 11.917 1.00 0.00 ATOM 428 CG ARG A 55 -8.538 2.416 13.398 1.00 0.00 ATOM 429 CD ARG A 55 -7.536 1.488 13.973 1.00 0.00 ATOM 430 NE ARG A 55 -6.330 2.195 14.352 1.00 0.00 ATOM 431 CZ ARG A 55 -5.609 1.915 15.430 1.00 0.00 ATOM 432 NH1 ARG A 55 -5.975 0.939 16.245 1.00 0.00 ATOM 433 NH2 ARG A 55 -4.509 2.606 15.688 1.00 0.00 ATOM 434 N PRO A 56 -11.656 1.065 11.538 1.00 0.00 ATOM 435 CA PRO A 56 -11.284 0.452 10.263 1.00 0.00 ATOM 436 C PRO A 56 -11.656 1.357 9.102 1.00 0.00 ATOM 437 O PRO A 56 -12.540 2.198 9.230 1.00 0.00 ATOM 438 CB PRO A 56 -12.124 -0.819 10.250 1.00 0.00 ATOM 439 CG PRO A 56 -13.365 -0.389 10.950 1.00 0.00 ATOM 440 CD PRO A 56 -12.799 0.347 12.136 1.00 0.00 ATOM 441 N LEU A 57 -10.941 1.226 7.990 1.00 0.00 ATOM 442 CA LEU A 57 -11.234 2.025 6.813 1.00 0.00 ATOM 443 C LEU A 57 -12.651 1.688 6.367 1.00 0.00 ATOM 444 O LEU A 57 -12.974 0.516 6.137 1.00 0.00 ATOM 445 CB LEU A 57 -10.241 1.709 5.706 1.00 0.00 ATOM 446 CG LEU A 57 -8.825 2.091 6.091 1.00 0.00 ATOM 447 CD1 LEU A 57 -7.869 1.764 4.955 1.00 0.00 ATOM 448 CD2 LEU A 57 -8.806 3.584 6.403 1.00 0.00 ATOM 449 N PRO A 58 -13.518 2.714 6.246 1.00 0.00 ATOM 450 CA PRO A 58 -14.922 2.568 5.838 1.00 0.00 ATOM 451 C PRO A 58 -15.152 2.033 4.430 1.00 0.00 ATOM 452 O PRO A 58 -14.392 2.352 3.512 1.00 0.00 ATOM 453 CB PRO A 58 -15.466 3.998 5.978 1.00 0.00 ATOM 454 CG PRO A 58 -14.569 4.612 7.018 1.00 0.00 ATOM 455 CD PRO A 58 -13.221 4.116 6.581 1.00 0.00 ATOM 456 N GLY A 59 -16.188 1.207 4.273 1.00 0.00 ATOM 457 CA GLY A 59 -16.538 0.674 2.968 1.00 0.00 ATOM 458 C GLY A 59 -15.651 -0.430 2.449 1.00 0.00 ATOM 459 O GLY A 59 -15.702 -0.770 1.268 1.00 0.00 ATOM 460 N ARG A 60 -14.860 -1.013 3.339 1.00 0.00 ATOM 461 CA ARG A 60 -13.938 -2.072 2.967 1.00 0.00 ATOM 462 C ARG A 60 -13.843 -3.049 4.100 1.00 0.00 ATOM 463 O ARG A 60 -14.011 -2.674 5.247 1.00 0.00 ATOM 464 CB ARG A 60 -12.551 -1.477 2.704 1.00 0.00 ATOM 465 CG ARG A 60 -12.440 -0.769 1.375 1.00 0.00 ATOM 466 CD ARG A 60 -11.445 0.351 1.413 1.00 0.00 ATOM 467 NE ARG A 60 -11.917 1.462 2.234 1.00 0.00 ATOM 468 CZ ARG A 60 -11.303 2.637 2.340 1.00 0.00 ATOM 469 NH1 ARG A 60 -10.178 2.870 1.671 1.00 0.00 ATOM 470 NH2 ARG A 60 -11.817 3.574 3.122 1.00 0.00 ATOM 471 N ARG A 61 -13.609 -4.313 3.786 1.00 0.00 ATOM 472 CA ARG A 61 -13.460 -5.315 4.828 1.00 0.00 ATOM 473 C ARG A 61 -11.980 -5.276 5.234 1.00 0.00 ATOM 474 O ARG A 61 -11.101 -5.585 4.434 1.00 0.00 ATOM 475 CB ARG A 61 -13.856 -6.696 4.297 1.00 0.00 ATOM 476 CG ARG A 61 -13.758 -7.814 5.329 1.00 0.00 ATOM 477 CD ARG A 61 -14.137 -9.141 4.721 1.00 0.00 ATOM 478 NE ARG A 61 -14.057 -10.216 5.706 1.00 0.00 ATOM 479 CZ ARG A 61 -14.095 -11.514 5.414 1.00 0.00 ATOM 480 NH1 ARG A 61 -14.213 -11.916 4.156 1.00 0.00 ATOM 481 NH2 ARG A 61 -14.000 -12.418 6.383 1.00 0.00 ATOM 482 N ASN A 62 -11.709 -4.825 6.456 1.00 0.00 ATOM 483 CA ASN A 62 -10.345 -4.695 6.947 1.00 0.00 ATOM 484 C ASN A 62 -9.805 -5.974 7.522 1.00 0.00 ATOM 485 O ASN A 62 -10.383 -6.528 8.461 1.00 0.00 ATOM 486 CB ASN A 62 -10.275 -3.632 8.023 1.00 0.00 ATOM 487 CG ASN A 62 -10.497 -2.253 7.486 1.00 0.00 ATOM 488 OD1 ASN A 62 -11.431 -2.008 6.709 1.00 0.00 ATOM 489 ND2 ASN A 62 -9.667 -1.322 7.919 1.00 0.00 ATOM 490 N VAL A 63 -8.697 -6.450 6.962 1.00 0.00 ATOM 491 CA VAL A 63 -8.078 -7.681 7.446 1.00 0.00 ATOM 492 C VAL A 63 -6.675 -7.343 7.939 1.00 0.00 ATOM 493 O VAL A 63 -5.899 -6.733 7.214 1.00 0.00 ATOM 494 CB VAL A 63 -8.008 -8.772 6.342 1.00 0.00 ATOM 495 CG1 VAL A 63 -7.379 -10.058 6.901 1.00 0.00 ATOM 496 CG2 VAL A 63 -9.408 -9.082 5.804 1.00 0.00 ATOM 497 N VAL A 64 -6.374 -7.720 9.183 1.00 0.00 ATOM 498 CA VAL A 64 -5.079 -7.453 9.792 1.00 0.00 ATOM 499 C VAL A 64 -4.314 -8.740 10.085 1.00 0.00 ATOM 500 O VAL A 64 -4.818 -9.642 10.764 1.00 0.00 ATOM 501 CB VAL A 64 -5.248 -6.680 11.095 1.00 0.00 ATOM 502 CG1 VAL A 64 -3.896 -6.267 11.643 1.00 0.00 ATOM 503 CG2 VAL A 64 -6.118 -5.471 10.865 1.00 0.00 ATOM 504 N LEU A 65 -3.088 -8.814 9.576 1.00 0.00 ATOM 505 CA LEU A 65 -2.235 -9.976 9.750 1.00 0.00 ATOM 506 C LEU A 65 -1.404 -9.800 11.020 1.00 0.00 ATOM 507 O LEU A 65 -0.736 -8.778 11.183 1.00 0.00 ATOM 508 CB LEU A 65 -1.297 -10.071 8.552 1.00 0.00 ATOM 509 CG LEU A 65 -1.171 -11.348 7.738 1.00 0.00 ATOM 510 CD1 LEU A 65 0.089 -11.237 6.907 1.00 0.00 ATOM 511 CD2 LEU A 65 -1.058 -12.551 8.640 1.00 0.00 ATOM 512 N SER A 66 -1.443 -10.783 11.918 1.00 0.00 ATOM 513 CA SER A 66 -0.666 -10.726 13.156 1.00 0.00 ATOM 514 C SER A 66 -0.295 -12.122 13.638 1.00 0.00 ATOM 515 O SER A 66 -1.009 -13.086 13.377 1.00 0.00 ATOM 516 CB SER A 66 -1.451 -10.002 14.254 1.00 0.00 ATOM 517 OG SER A 66 -0.722 -9.979 15.473 1.00 0.00 ATOM 518 N ARG A 67 0.848 -12.245 14.300 1.00 0.00 ATOM 519 CA ARG A 67 1.250 -13.547 14.827 1.00 0.00 ATOM 520 C ARG A 67 0.671 -13.787 16.218 1.00 0.00 ATOM 521 O ARG A 67 0.778 -14.883 16.756 1.00 0.00 ATOM 522 CB ARG A 67 2.762 -13.694 14.858 1.00 0.00 ATOM 523 CG ARG A 67 3.361 -13.965 13.499 1.00 0.00 ATOM 524 CD ARG A 67 4.769 -14.535 13.631 1.00 0.00 ATOM 525 NE ARG A 67 5.415 -14.674 12.338 1.00 0.00 ATOM 526 CZ ARG A 67 5.989 -13.670 11.698 1.00 0.00 ATOM 527 NH1 ARG A 67 5.997 -12.459 12.240 1.00 0.00 ATOM 528 NH2 ARG A 67 6.532 -13.871 10.509 1.00 0.00 ATOM 529 N GLN A 68 0.096 -12.746 16.812 1.00 0.00 ATOM 530 CA GLN A 68 -0.523 -12.850 18.128 1.00 0.00 ATOM 531 C GLN A 68 -1.953 -13.346 17.908 1.00 0.00 ATOM 532 O GLN A 68 -2.752 -12.677 17.235 1.00 0.00 ATOM 533 CB GLN A 68 -0.576 -11.477 18.787 1.00 0.00 ATOM 534 CG GLN A 68 0.740 -10.734 18.790 1.00 0.00 ATOM 535 CD GLN A 68 0.580 -9.314 19.283 1.00 0.00 ATOM 536 OE1 GLN A 68 -0.143 -9.058 20.254 1.00 0.00 ATOM 537 NE2 GLN A 68 1.231 -8.375 18.605 1.00 0.00 ATOM 538 N ALA A 69 -2.282 -14.518 18.444 1.00 0.00 ATOM 539 CA ALA A 69 -3.633 -15.048 18.272 1.00 0.00 ATOM 540 C ALA A 69 -4.650 -14.208 19.042 1.00 0.00 ATOM 541 O ALA A 69 -5.828 -14.185 18.703 1.00 0.00 ATOM 542 CB ALA A 69 -3.694 -16.493 18.722 1.00 0.00 ATOM 543 N ASP A 70 -4.156 -13.463 20.027 1.00 0.00 ATOM 544 CA ASP A 70 -4.957 -12.602 20.899 1.00 0.00 ATOM 545 C ASP A 70 -5.062 -11.130 20.464 1.00 0.00 ATOM 546 O ASP A 70 -5.618 -10.317 21.204 1.00 0.00 ATOM 547 CB ASP A 70 -4.301 -12.595 22.278 1.00 0.00 ATOM 548 CG ASP A 70 -2.886 -11.993 22.239 1.00 0.00 ATOM 549 OD1 ASP A 70 -1.996 -12.610 21.596 1.00 0.00 ATOM 550 OD2 ASP A 70 -2.672 -10.889 22.809 1.00 0.00 ATOM 551 N PHE A 71 -4.484 -10.763 19.320 1.00 0.00 ATOM 552 CA PHE A 71 -4.517 -9.361 18.907 1.00 0.00 ATOM 553 C PHE A 71 -5.921 -8.788 18.767 1.00 0.00 ATOM 554 O PHE A 71 -6.803 -9.416 18.185 1.00 0.00 ATOM 555 CB PHE A 71 -3.692 -9.113 17.634 1.00 0.00 ATOM 556 CG PHE A 71 -3.423 -7.650 17.380 1.00 0.00 ATOM 557 CD1 PHE A 71 -2.673 -6.902 18.285 1.00 0.00 ATOM 558 CD2 PHE A 71 -3.980 -6.999 16.280 1.00 0.00 ATOM 559 CE1 PHE A 71 -2.489 -5.526 18.103 1.00 0.00 ATOM 560 CE2 PHE A 71 -3.803 -5.622 16.087 1.00 0.00 ATOM 561 CZ PHE A 71 -3.060 -4.886 17.000 1.00 0.00 ATOM 562 N MET A 72 -6.115 -7.596 19.332 1.00 0.00 ATOM 563 CA MET A 72 -7.402 -6.905 19.308 1.00 0.00 ATOM 564 C MET A 72 -7.413 -5.818 18.242 1.00 0.00 ATOM 565 O MET A 72 -6.597 -4.901 18.284 1.00 0.00 ATOM 566 CB MET A 72 -7.679 -6.246 20.670 1.00 0.00 ATOM 567 CG MET A 72 -7.254 -7.065 21.896 1.00 0.00 ATOM 568 SD MET A 72 -8.528 -8.140 22.645 1.00 0.00 ATOM 569 CE MET A 72 -8.880 -7.197 24.182 1.00 0.00 ATOM 570 N ALA A 73 -8.357 -5.901 17.309 1.00 0.00 ATOM 571 CA ALA A 73 -8.476 -4.908 16.247 1.00 0.00 ATOM 572 C ALA A 73 -9.953 -4.659 15.964 1.00 0.00 ATOM 573 O ALA A 73 -10.546 -5.334 15.137 1.00 0.00 ATOM 574 CB ALA A 73 -7.764 -5.397 14.986 1.00 0.00 ATOM 575 N SER A 74 -10.536 -3.677 16.646 1.00 0.00 ATOM 576 CA SER A 74 -11.952 -3.350 16.489 1.00 0.00 ATOM 577 C SER A 74 -12.408 -3.034 15.074 1.00 0.00 ATOM 578 O SER A 74 -11.904 -2.110 14.437 1.00 0.00 ATOM 579 CB SER A 74 -12.338 -2.195 17.415 1.00 0.00 ATOM 580 OG SER A 74 -12.160 -2.575 18.766 1.00 0.00 ATOM 581 N GLY A 75 -13.401 -3.781 14.605 1.00 0.00 ATOM 582 CA GLY A 75 -13.928 -3.561 13.270 1.00 0.00 ATOM 583 C GLY A 75 -13.099 -4.203 12.187 1.00 0.00 ATOM 584 O GLY A 75 -13.351 -3.987 11.009 1.00 0.00 ATOM 585 N ALA A 76 -12.100 -4.985 12.574 1.00 0.00 ATOM 586 CA ALA A 76 -11.255 -5.659 11.602 1.00 0.00 ATOM 587 C ALA A 76 -11.156 -7.136 11.898 1.00 0.00 ATOM 588 O ALA A 76 -11.456 -7.584 13.002 1.00 0.00 ATOM 589 CB ALA A 76 -9.874 -5.053 11.601 1.00 0.00 ATOM 590 N GLU A 77 -10.754 -7.895 10.889 1.00 0.00 ATOM 591 CA GLU A 77 -10.576 -9.328 11.025 1.00 0.00 ATOM 592 C GLU A 77 -9.089 -9.644 11.227 1.00 0.00 ATOM 593 O GLU A 77 -8.284 -9.400 10.337 1.00 0.00 ATOM 594 CB GLU A 77 -11.075 -10.031 9.761 1.00 0.00 ATOM 595 CG GLU A 77 -10.910 -11.532 9.809 1.00 0.00 ATOM 596 CD GLU A 77 -11.173 -12.201 8.489 1.00 0.00 ATOM 597 OE1 GLU A 77 -11.864 -13.240 8.480 1.00 0.00 ATOM 598 OE2 GLU A 77 -10.679 -11.698 7.459 1.00 0.00 ATOM 599 N VAL A 78 -8.727 -10.169 12.398 1.00 0.00 ATOM 600 CA VAL A 78 -7.336 -10.545 12.683 1.00 0.00 ATOM 601 C VAL A 78 -7.102 -11.997 12.277 1.00 0.00 ATOM 602 O VAL A 78 -7.868 -12.879 12.664 1.00 0.00 ATOM 603 CB VAL A 78 -6.974 -10.363 14.179 1.00 0.00 ATOM 604 CG1 VAL A 78 -5.564 -10.881 14.461 1.00 0.00 ATOM 605 CG2 VAL A 78 -7.055 -8.900 14.556 1.00 0.00 ATOM 606 N VAL A 79 -6.100 -12.217 11.423 1.00 0.00 ATOM 607 CA VAL A 79 -5.741 -13.550 10.951 1.00 0.00 ATOM 608 C VAL A 79 -4.259 -13.812 11.275 1.00 0.00 ATOM 609 O VAL A 79 -3.508 -12.875 11.535 1.00 0.00 ATOM 610 CB VAL A 79 -6.031 -13.718 9.430 1.00 0.00 ATOM 611 CG1 VAL A 79 -7.517 -13.536 9.164 1.00 0.00 ATOM 612 CG2 VAL A 79 -5.257 -12.709 8.616 1.00 0.00 ATOM 613 N GLY A 80 -3.850 -15.077 11.321 1.00 0.00 ATOM 614 CA GLY A 80 -2.464 -15.386 11.646 1.00 0.00 ATOM 615 C GLY A 80 -1.590 -15.801 10.478 1.00 0.00 ATOM 616 O GLY A 80 -0.383 -15.971 10.629 1.00 0.00 ATOM 617 N SER A 81 -2.181 -15.922 9.298 1.00 0.00 ATOM 618 CA SER A 81 -1.440 -16.337 8.120 1.00 0.00 ATOM 619 C SER A 81 -1.937 -15.606 6.890 1.00 0.00 ATOM 620 O SER A 81 -3.080 -15.138 6.856 1.00 0.00 ATOM 621 CB SER A 81 -1.613 -17.839 7.911 1.00 0.00 ATOM 622 OG SER A 81 -2.939 -18.151 7.497 1.00 0.00 ATOM 623 N LEU A 82 -1.098 -15.571 5.857 1.00 0.00 ATOM 624 CA LEU A 82 -1.438 -14.907 4.609 1.00 0.00 ATOM 625 C LEU A 82 -2.550 -15.645 3.878 1.00 0.00 ATOM 626 O LEU A 82 -3.398 -15.016 3.243 1.00 0.00 ATOM 627 CB LEU A 82 -0.217 -14.813 3.700 1.00 0.00 ATOM 628 CG LEU A 82 0.143 -13.496 3.001 1.00 0.00 ATOM 629 CD1 LEU A 82 0.510 -13.805 1.558 1.00 0.00 ATOM 630 CD2 LEU A 82 -0.985 -12.488 3.054 1.00 0.00 ATOM 631 N GLU A 83 -2.546 -16.973 3.965 1.00 0.00 ATOM 632 CA GLU A 83 -3.569 -17.786 3.304 1.00 0.00 ATOM 633 C GLU A 83 -4.973 -17.475 3.824 1.00 0.00 ATOM 634 O GLU A 83 -5.942 -17.546 3.077 1.00 0.00 ATOM 635 CB GLU A 83 -3.271 -19.283 3.458 1.00 0.00 ATOM 636 CG GLU A 83 -2.856 -19.700 4.872 1.00 0.00 ATOM 637 CD GLU A 83 -3.276 -21.131 5.243 1.00 0.00 ATOM 638 OE1 GLU A 83 -4.134 -21.708 4.526 1.00 0.00 ATOM 639 OE2 GLU A 83 -2.758 -21.669 6.259 1.00 0.00 ATOM 640 N GLU A 84 -5.075 -17.156 5.112 1.00 0.00 ATOM 641 CA GLU A 84 -6.358 -16.816 5.729 1.00 0.00 ATOM 642 C GLU A 84 -6.797 -15.392 5.350 1.00 0.00 ATOM 643 O GLU A 84 -7.980 -15.068 5.396 1.00 0.00 ATOM 644 CB GLU A 84 -6.267 -16.913 7.254 1.00 0.00 ATOM 645 CG GLU A 84 -6.098 -18.310 7.830 1.00 0.00 ATOM 646 CD GLU A 84 -5.602 -18.269 9.265 1.00 0.00 ATOM 647 OE1 GLU A 84 -6.149 -17.503 10.092 1.00 0.00 ATOM 648 OE2 GLU A 84 -4.637 -18.991 9.576 1.00 0.00 ATOM 649 N ALA A 85 -5.839 -14.545 4.991 1.00 0.00 ATOM 650 CA ALA A 85 -6.139 -13.168 4.618 1.00 0.00 ATOM 651 C ALA A 85 -6.518 -12.969 3.149 1.00 0.00 ATOM 652 O ALA A 85 -7.303 -12.087 2.829 1.00 0.00 ATOM 653 CB ALA A 85 -4.956 -12.282 4.972 1.00 0.00 ATOM 654 N LEU A 86 -5.994 -13.817 2.266 1.00 0.00 ATOM 655 CA LEU A 86 -6.232 -13.702 0.823 1.00 0.00 ATOM 656 C LEU A 86 -7.409 -14.446 0.199 1.00 0.00 ATOM 657 O LEU A 86 -7.500 -14.528 -1.027 1.00 0.00 ATOM 658 CB LEU A 86 -4.958 -14.093 0.079 1.00 0.00 ATOM 659 CG LEU A 86 -3.711 -13.324 0.510 1.00 0.00 ATOM 660 CD1 LEU A 86 -2.489 -13.923 -0.155 1.00 0.00 ATOM 661 CD2 LEU A 86 -3.849 -11.841 0.181 1.00 0.00 ATOM 662 N THR A 87 -8.341 -14.924 1.013 1.00 0.00 ATOM 663 CA THR A 87 -9.482 -15.685 0.496 1.00 0.00 ATOM 664 C THR A 87 -10.458 -14.963 -0.455 1.00 0.00 ATOM 665 O THR A 87 -11.192 -15.621 -1.196 1.00 0.00 ATOM 666 CB THR A 87 -10.261 -16.379 1.643 1.00 0.00 ATOM 667 OG1 THR A 87 -10.833 -15.388 2.498 1.00 0.00 ATOM 668 CG2 THR A 87 -9.328 -17.250 2.473 1.00 0.00 ATOM 669 N SER A 88 -10.469 -13.629 -0.460 1.00 0.00 ATOM 670 CA SER A 88 -11.369 -12.890 -1.358 1.00 0.00 ATOM 671 C SER A 88 -10.829 -12.829 -2.780 1.00 0.00 ATOM 672 O SER A 88 -9.619 -12.770 -2.989 1.00 0.00 ATOM 673 CB SER A 88 -11.582 -11.449 -0.879 1.00 0.00 ATOM 674 OG SER A 88 -12.191 -11.393 0.399 1.00 0.00 ATOM 675 N PRO A 89 -11.727 -12.838 -3.776 1.00 0.00 ATOM 676 CA PRO A 89 -11.437 -12.774 -5.217 1.00 0.00 ATOM 677 C PRO A 89 -10.666 -11.491 -5.598 1.00 0.00 ATOM 678 O PRO A 89 -9.812 -11.506 -6.489 1.00 0.00 ATOM 679 CB PRO A 89 -12.835 -12.798 -5.841 1.00 0.00 ATOM 680 CG PRO A 89 -13.581 -13.678 -4.903 1.00 0.00 ATOM 681 CD PRO A 89 -13.154 -13.133 -3.556 1.00 0.00 ATOM 682 N GLU A 90 -11.030 -10.367 -4.991 1.00 0.00 ATOM 683 CA GLU A 90 -10.314 -9.133 -5.244 1.00 0.00 ATOM 684 C GLU A 90 -9.851 -8.588 -3.895 1.00 0.00 ATOM 685 O GLU A 90 -10.646 -8.095 -3.098 1.00 0.00 ATOM 686 CB GLU A 90 -11.158 -8.111 -6.018 1.00 0.00 ATOM 687 CG GLU A 90 -10.470 -6.737 -6.112 1.00 0.00 ATOM 688 CD GLU A 90 -10.793 -5.940 -7.369 1.00 0.00 ATOM 689 OE1 GLU A 90 -10.209 -4.841 -7.532 1.00 0.00 ATOM 690 OE2 GLU A 90 -11.613 -6.404 -8.191 1.00 0.00 ATOM 691 N THR A 91 -8.562 -8.749 -3.620 1.00 0.00 ATOM 692 CA THR A 91 -7.987 -8.290 -2.363 1.00 0.00 ATOM 693 C THR A 91 -6.901 -7.250 -2.603 1.00 0.00 ATOM 694 O THR A 91 -6.103 -7.375 -3.525 1.00 0.00 ATOM 695 CB THR A 91 -7.353 -9.470 -1.583 1.00 0.00 ATOM 696 OG1 THR A 91 -8.350 -10.453 -1.285 1.00 0.00 ATOM 697 CG2 THR A 91 -6.709 -8.984 -0.290 1.00 0.00 ATOM 698 N TRP A 92 -6.887 -6.203 -1.798 1.00 0.00 ATOM 699 CA TRP A 92 -5.841 -5.209 -1.935 1.00 0.00 ATOM 700 C TRP A 92 -4.993 -5.189 -0.688 1.00 0.00 ATOM 701 O TRP A 92 -5.511 -5.080 0.428 1.00 0.00 ATOM 702 CB TRP A 92 -6.406 -3.819 -2.239 1.00 0.00 ATOM 703 CG TRP A 92 -6.840 -3.700 -3.688 1.00 0.00 ATOM 704 CD1 TRP A 92 -8.097 -3.925 -4.200 1.00 0.00 ATOM 705 CD2 TRP A 92 -5.997 -3.415 -4.813 1.00 0.00 ATOM 706 NE1 TRP A 92 -8.075 -3.807 -5.572 1.00 0.00 ATOM 707 CE2 TRP A 92 -6.801 -3.494 -5.971 1.00 0.00 ATOM 708 CE3 TRP A 92 -4.640 -3.109 -4.952 1.00 0.00 ATOM 709 CZ2 TRP A 92 -6.288 -3.275 -7.249 1.00 0.00 ATOM 710 CZ3 TRP A 92 -4.131 -2.895 -6.222 1.00 0.00 ATOM 711 CH2 TRP A 92 -4.953 -2.980 -7.353 1.00 0.00 ATOM 712 N VAL A 93 -3.696 -5.403 -0.880 1.00 0.00 ATOM 713 CA VAL A 93 -2.737 -5.390 0.215 1.00 0.00 ATOM 714 C VAL A 93 -2.320 -3.918 0.328 1.00 0.00 ATOM 715 O VAL A 93 -1.733 -3.341 -0.589 1.00 0.00 ATOM 716 CB VAL A 93 -1.543 -6.356 -0.088 1.00 0.00 ATOM 717 CG1 VAL A 93 -0.453 -6.231 0.981 1.00 0.00 ATOM 718 CG2 VAL A 93 -2.067 -7.819 -0.149 1.00 0.00 ATOM 719 N ILE A 94 -2.705 -3.297 1.434 1.00 0.00 ATOM 720 CA ILE A 94 -2.450 -1.881 1.632 1.00 0.00 ATOM 721 C ILE A 94 -1.280 -1.565 2.511 1.00 0.00 ATOM 722 O ILE A 94 -1.079 -0.421 2.920 1.00 0.00 ATOM 723 CB ILE A 94 -3.680 -1.159 2.190 1.00 0.00 ATOM 724 CG1 ILE A 94 -3.939 -1.571 3.636 1.00 0.00 ATOM 725 CG2 ILE A 94 -4.881 -1.488 1.344 1.00 0.00 ATOM 726 CD1 ILE A 94 -4.702 -0.520 4.417 1.00 0.00 ATOM 727 N GLY A 95 -0.506 -2.567 2.848 1.00 0.00 ATOM 728 CA GLY A 95 0.590 -2.201 3.664 1.00 0.00 ATOM 729 C GLY A 95 1.327 -3.110 4.559 1.00 0.00 ATOM 730 O GLY A 95 0.788 -3.999 5.215 1.00 0.00 ATOM 731 N GLY A 96 2.465 -2.477 4.818 1.00 0.00 ATOM 732 CA GLY A 96 3.544 -2.934 5.611 1.00 0.00 ATOM 733 C GLY A 96 4.637 -3.260 4.622 1.00 0.00 ATOM 734 O GLY A 96 4.343 -3.849 3.585 1.00 0.00 ATOM 735 N GLY A 97 5.862 -2.815 4.875 1.00 0.00 ATOM 736 CA GLY A 97 6.939 -3.206 3.996 1.00 0.00 ATOM 737 C GLY A 97 7.032 -4.728 4.096 1.00 0.00 ATOM 738 O GLY A 97 7.251 -5.417 3.097 1.00 0.00 ATOM 739 N GLN A 98 6.803 -5.276 5.286 1.00 0.00 ATOM 740 CA GLN A 98 6.843 -6.731 5.475 1.00 0.00 ATOM 741 C GLN A 98 5.736 -7.460 4.721 1.00 0.00 ATOM 742 O GLN A 98 5.980 -8.455 4.028 1.00 0.00 ATOM 743 CB GLN A 98 6.720 -7.107 6.947 1.00 0.00 ATOM 744 CG GLN A 98 7.919 -6.744 7.793 1.00 0.00 ATOM 745 CD GLN A 98 7.688 -7.009 9.261 1.00 0.00 ATOM 746 OE1 GLN A 98 7.983 -6.160 10.118 1.00 0.00 ATOM 747 NE2 GLN A 98 7.154 -8.189 9.569 1.00 0.00 ATOM 748 N VAL A 99 4.514 -6.979 4.871 1.00 0.00 ATOM 749 CA VAL A 99 3.395 -7.616 4.214 1.00 0.00 ATOM 750 C VAL A 99 3.432 -7.530 2.696 1.00 0.00 ATOM 751 O VAL A 99 2.984 -8.459 2.027 1.00 0.00 ATOM 752 CB VAL A 99 2.065 -7.123 4.799 1.00 0.00 ATOM 753 CG1 VAL A 99 0.892 -7.760 4.092 1.00 0.00 ATOM 754 CG2 VAL A 99 2.009 -7.497 6.266 1.00 0.00 ATOM 755 N TYR A 100 3.999 -6.461 2.141 1.00 0.00 ATOM 756 CA TYR A 100 4.101 -6.343 0.682 1.00 0.00 ATOM 757 C TYR A 100 5.042 -7.428 0.165 1.00 0.00 ATOM 758 O TYR A 100 4.808 -8.021 -0.890 1.00 0.00 ATOM 759 CB TYR A 100 4.669 -4.981 0.248 1.00 0.00 ATOM 760 CG TYR A 100 3.735 -3.785 0.367 1.00 0.00 ATOM 761 CD1 TYR A 100 4.187 -2.597 0.943 1.00 0.00 ATOM 762 CD2 TYR A 100 2.416 -3.836 -0.096 1.00 0.00 ATOM 763 CE1 TYR A 100 3.355 -1.488 1.058 1.00 0.00 ATOM 764 CE2 TYR A 100 1.576 -2.731 0.015 1.00 0.00 ATOM 765 CZ TYR A 100 2.060 -1.555 0.596 1.00 0.00 ATOM 766 OH TYR A 100 1.275 -0.423 0.714 1.00 0.00 ATOM 767 N ALA A 101 6.131 -7.657 0.895 1.00 0.00 ATOM 768 CA ALA A 101 7.120 -8.670 0.520 1.00 0.00 ATOM 769 C ALA A 101 6.498 -10.049 0.572 1.00 0.00 ATOM 770 O ALA A 101 6.722 -10.887 -0.299 1.00 0.00 ATOM 771 CB ALA A 101 8.287 -8.616 1.471 1.00 0.00 ATOM 772 N LEU A 102 5.715 -10.268 1.617 1.00 0.00 ATOM 773 CA LEU A 102 5.028 -11.521 1.854 1.00 0.00 ATOM 774 C LEU A 102 3.987 -11.820 0.768 1.00 0.00 ATOM 775 O LEU A 102 3.904 -12.945 0.259 1.00 0.00 ATOM 776 CB LEU A 102 4.338 -11.419 3.215 1.00 0.00 ATOM 777 CG LEU A 102 3.989 -12.625 4.091 1.00 0.00 ATOM 778 CD1 LEU A 102 5.269 -13.374 4.514 1.00 0.00 ATOM 779 CD2 LEU A 102 3.237 -12.115 5.335 1.00 0.00 ATOM 780 N ALA A 103 3.219 -10.800 0.390 1.00 0.00 ATOM 781 CA ALA A 103 2.151 -10.947 -0.595 1.00 0.00 ATOM 782 C ALA A 103 2.513 -10.774 -2.066 1.00 0.00 ATOM 783 O ALA A 103 1.741 -11.163 -2.933 1.00 0.00 ATOM 784 CB ALA A 103 1.011 -10.008 -0.236 1.00 0.00 ATOM 785 N LEU A 104 3.670 -10.189 -2.357 1.00 0.00 ATOM 786 CA LEU A 104 4.079 -9.957 -3.740 1.00 0.00 ATOM 787 C LEU A 104 3.924 -11.172 -4.652 1.00 0.00 ATOM 788 O LEU A 104 3.342 -11.054 -5.736 1.00 0.00 ATOM 789 CB LEU A 104 5.526 -9.475 -3.793 1.00 0.00 ATOM 790 CG LEU A 104 6.030 -8.441 -4.803 1.00 0.00 ATOM 791 CD1 LEU A 104 7.479 -8.762 -5.100 1.00 0.00 ATOM 792 CD2 LEU A 104 5.251 -8.430 -6.068 1.00 0.00 ATOM 793 N PRO A 105 4.418 -12.364 -4.229 1.00 0.00 ATOM 794 CA PRO A 105 4.253 -13.497 -5.148 1.00 0.00 ATOM 795 C PRO A 105 2.818 -13.896 -5.522 1.00 0.00 ATOM 796 O PRO A 105 2.592 -14.447 -6.584 1.00 0.00 ATOM 797 CB PRO A 105 5.071 -14.619 -4.491 1.00 0.00 ATOM 798 CG PRO A 105 5.286 -14.202 -3.104 1.00 0.00 ATOM 799 CD PRO A 105 5.311 -12.709 -3.106 1.00 0.00 ATOM 800 N TYR A 106 1.846 -13.533 -4.692 1.00 0.00 ATOM 801 CA TYR A 106 0.444 -13.847 -4.938 1.00 0.00 ATOM 802 C TYR A 106 -0.211 -12.772 -5.786 1.00 0.00 ATOM 803 O TYR A 106 -1.327 -12.951 -6.260 1.00 0.00 ATOM 804 CB TYR A 106 -0.313 -13.921 -3.609 1.00 0.00 ATOM 805 CG TYR A 106 0.192 -14.985 -2.686 1.00 0.00 ATOM 806 CD1 TYR A 106 1.329 -14.779 -1.894 1.00 0.00 ATOM 807 CD2 TYR A 106 -0.403 -16.245 -2.674 1.00 0.00 ATOM 808 CE1 TYR A 106 1.870 -15.828 -1.121 1.00 0.00 ATOM 809 CE2 TYR A 106 0.128 -17.292 -1.912 1.00 0.00 ATOM 810 CZ TYR A 106 1.263 -17.084 -1.149 1.00 0.00 ATOM 811 OH TYR A 106 1.816 -18.160 -0.486 1.00 0.00 ATOM 812 N ALA A 107 0.501 -11.667 -5.984 1.00 0.00 ATOM 813 CA ALA A 107 -0.020 -10.522 -6.724 1.00 0.00 ATOM 814 C ALA A 107 0.081 -10.514 -8.251 1.00 0.00 ATOM 815 O ALA A 107 1.050 -10.992 -8.828 1.00 0.00 ATOM 816 CB ALA A 107 0.604 -9.242 -6.167 1.00 0.00 ATOM 817 N THR A 108 -0.934 -9.936 -8.886 1.00 0.00 ATOM 818 CA THR A 108 -0.972 -9.789 -10.332 1.00 0.00 ATOM 819 C THR A 108 -1.245 -8.342 -10.703 1.00 0.00 ATOM 820 O THR A 108 -1.366 -8.020 -11.876 1.00 0.00 ATOM 821 CB THR A 108 -2.020 -10.685 -10.989 1.00 0.00 ATOM 822 OG1 THR A 108 -3.235 -10.632 -10.243 1.00 0.00 ATOM 823 CG2 THR A 108 -1.516 -12.129 -11.047 1.00 0.00 ATOM 824 N ARG A 109 -1.342 -7.471 -9.701 1.00 0.00 ATOM 825 CA ARG A 109 -1.564 -6.034 -9.912 1.00 0.00 ATOM 826 C ARG A 109 -0.864 -5.196 -8.845 1.00 0.00 ATOM 827 O ARG A 109 -0.805 -5.584 -7.677 1.00 0.00 ATOM 828 CB ARG A 109 -3.063 -5.674 -9.881 1.00 0.00 ATOM 829 CG ARG A 109 -3.816 -5.918 -11.163 1.00 0.00 ATOM 830 CD ARG A 109 -5.182 -5.266 -11.109 1.00 0.00 ATOM 831 NE ARG A 109 -5.137 -3.799 -11.111 1.00 0.00 ATOM 832 CZ ARG A 109 -6.198 -3.011 -10.913 1.00 0.00 ATOM 833 NH1 ARG A 109 -7.406 -3.532 -10.703 1.00 0.00 ATOM 834 NH2 ARG A 109 -6.042 -1.698 -10.848 1.00 0.00 ATOM 835 N CYS A 110 -0.318 -4.054 -9.260 1.00 0.00 ATOM 836 CA CYS A 110 0.324 -3.116 -8.344 1.00 0.00 ATOM 837 C CYS A 110 -0.106 -1.728 -8.763 1.00 0.00 ATOM 838 O CYS A 110 -0.067 -1.409 -9.940 1.00 0.00 ATOM 839 CB CYS A 110 1.845 -3.188 -8.421 1.00 0.00 ATOM 840 SG CYS A 110 2.590 -4.558 -7.552 1.00 0.00 ATOM 841 N GLU A 111 -0.565 -0.926 -7.810 1.00 0.00 ATOM 842 CA GLU A 111 -0.968 0.459 -8.070 1.00 0.00 ATOM 843 C GLU A 111 -0.006 1.265 -7.226 1.00 0.00 ATOM 844 O GLU A 111 -0.045 1.236 -5.995 1.00 0.00 ATOM 845 CB GLU A 111 -2.420 0.707 -7.663 1.00 0.00 ATOM 846 CG GLU A 111 -3.431 0.052 -8.596 1.00 0.00 ATOM 847 CD GLU A 111 -3.371 0.585 -10.039 1.00 0.00 ATOM 848 OE1 GLU A 111 -2.892 1.719 -10.252 1.00 0.00 ATOM 849 OE2 GLU A 111 -3.815 -0.132 -10.960 1.00 0.00 ATOM 850 N VAL A 112 0.886 1.964 -7.910 1.00 0.00 ATOM 851 CA VAL A 112 1.950 2.703 -7.257 1.00 0.00 ATOM 852 C VAL A 112 1.936 4.199 -7.480 1.00 0.00 ATOM 853 O VAL A 112 1.686 4.675 -8.588 1.00 0.00 ATOM 854 CB VAL A 112 3.320 2.173 -7.757 1.00 0.00 ATOM 855 CG1 VAL A 112 4.485 2.886 -7.050 1.00 0.00 ATOM 856 CG2 VAL A 112 3.397 0.645 -7.589 1.00 0.00 ATOM 857 N THR A 113 2.250 4.933 -6.421 1.00 0.00 ATOM 858 CA THR A 113 2.326 6.382 -6.494 1.00 0.00 ATOM 859 C THR A 113 3.775 6.733 -6.215 1.00 0.00 ATOM 860 O THR A 113 4.294 6.386 -5.157 1.00 0.00 ATOM 861 CB THR A 113 1.450 7.040 -5.415 1.00 0.00 ATOM 862 OG1 THR A 113 0.076 6.739 -5.670 1.00 0.00 ATOM 863 CG2 THR A 113 1.653 8.558 -5.396 1.00 0.00 ATOM 864 N GLU A 114 4.460 7.349 -7.178 1.00 0.00 ATOM 865 CA GLU A 114 5.842 7.752 -6.930 1.00 0.00 ATOM 866 C GLU A 114 5.846 9.221 -6.507 1.00 0.00 ATOM 867 O GLU A 114 5.254 10.064 -7.189 1.00 0.00 ATOM 868 CB GLU A 114 6.712 7.585 -8.166 1.00 0.00 ATOM 869 CG GLU A 114 8.168 7.951 -7.888 1.00 0.00 ATOM 870 CD GLU A 114 9.042 8.012 -9.134 1.00 0.00 ATOM 871 OE1 GLU A 114 8.547 7.750 -10.250 1.00 0.00 ATOM 872 OE2 GLU A 114 10.242 8.332 -8.995 1.00 0.00 ATOM 873 N VAL A 115 6.474 9.505 -5.365 1.00 0.00 ATOM 874 CA VAL A 115 6.584 10.855 -4.828 1.00 0.00 ATOM 875 C VAL A 115 8.000 11.383 -5.091 1.00 0.00 ATOM 876 O VAL A 115 8.995 10.803 -4.650 1.00 0.00 ATOM 877 CB VAL A 115 6.260 10.879 -3.330 1.00 0.00 ATOM 878 CG1 VAL A 115 6.280 12.310 -2.791 1.00 0.00 ATOM 879 CG2 VAL A 115 4.902 10.273 -3.105 1.00 0.00 ATOM 880 N ASP A 116 8.076 12.467 -5.858 1.00 0.00 ATOM 881 CA ASP A 116 9.348 13.079 -6.221 1.00 0.00 ATOM 882 C ASP A 116 9.914 13.906 -5.065 1.00 0.00 ATOM 883 O ASP A 116 9.948 15.137 -5.109 1.00 0.00 ATOM 884 CB ASP A 116 9.147 13.935 -7.472 1.00 0.00 ATOM 885 CG ASP A 116 10.450 14.425 -8.082 1.00 0.00 ATOM 886 OD1 ASP A 116 11.541 14.097 -7.581 1.00 0.00 ATOM 887 OD2 ASP A 116 10.378 15.162 -9.082 1.00 0.00 ATOM 888 N ILE A 117 10.376 13.207 -4.034 1.00 0.00 ATOM 889 CA ILE A 117 10.947 13.838 -2.850 1.00 0.00 ATOM 890 C ILE A 117 12.326 13.221 -2.584 1.00 0.00 ATOM 891 O ILE A 117 12.537 12.035 -2.846 1.00 0.00 ATOM 892 CB ILE A 117 10.022 13.615 -1.631 1.00 0.00 ATOM 893 CG1 ILE A 117 10.591 14.288 -0.386 1.00 0.00 ATOM 894 CG2 ILE A 117 9.804 12.105 -1.380 1.00 0.00 ATOM 895 CD1 ILE A 117 9.731 14.076 0.851 1.00 0.00 ATOM 896 N GLY A 118 13.274 14.044 -2.142 1.00 0.00 ATOM 897 CA GLY A 118 14.614 13.557 -1.840 1.00 0.00 ATOM 898 C GLY A 118 14.573 12.932 -0.468 1.00 0.00 ATOM 899 O GLY A 118 14.466 13.631 0.533 1.00 0.00 ATOM 900 N LEU A 119 14.680 11.611 -0.414 1.00 0.00 ATOM 901 CA LEU A 119 14.581 10.903 0.856 1.00 0.00 ATOM 902 C LEU A 119 15.355 9.590 0.793 1.00 0.00 ATOM 903 O LEU A 119 14.763 8.521 0.684 1.00 0.00 ATOM 904 CB LEU A 119 13.096 10.615 1.122 1.00 0.00 ATOM 905 CG LEU A 119 12.531 10.508 2.535 1.00 0.00 ATOM 906 CD1 LEU A 119 12.711 11.837 3.243 1.00 0.00 ATOM 907 CD2 LEU A 119 11.053 10.139 2.455 1.00 0.00 ATOM 908 N PRO A 120 16.693 9.657 0.840 1.00 0.00 ATOM 909 CA PRO A 120 17.548 8.461 0.788 1.00 0.00 ATOM 910 C PRO A 120 17.163 7.443 1.864 1.00 0.00 ATOM 911 O PRO A 120 16.686 7.823 2.940 1.00 0.00 ATOM 912 CB PRO A 120 18.941 9.040 1.040 1.00 0.00 ATOM 913 CG PRO A 120 18.851 10.414 0.431 1.00 0.00 ATOM 914 CD PRO A 120 17.504 10.885 0.924 1.00 0.00 ATOM 915 N ARG A 121 17.358 6.157 1.577 1.00 0.00 ATOM 916 CA ARG A 121 17.019 5.108 2.537 1.00 0.00 ATOM 917 C ARG A 121 17.898 5.226 3.759 1.00 0.00 ATOM 918 O ARG A 121 19.066 5.586 3.661 1.00 0.00 ATOM 919 CB ARG A 121 17.255 3.702 1.973 1.00 0.00 ATOM 920 CG ARG A 121 16.642 3.391 0.625 1.00 0.00 ATOM 921 CD ARG A 121 17.323 2.150 0.014 1.00 0.00 ATOM 922 NE ARG A 121 17.316 2.135 -1.453 1.00 0.00 ATOM 923 CZ ARG A 121 17.717 3.145 -2.236 1.00 0.00 ATOM 924 NH1 ARG A 121 18.167 4.289 -1.717 1.00 0.00 ATOM 925 NH2 ARG A 121 17.674 3.011 -3.558 1.00 0.00 ATOM 926 N GLU A 122 17.322 4.896 4.904 1.00 0.00 ATOM 927 CA GLU A 122 18.017 4.887 6.173 1.00 0.00 ATOM 928 C GLU A 122 17.719 3.524 6.771 1.00 0.00 ATOM 929 O GLU A 122 16.665 2.952 6.515 1.00 0.00 ATOM 930 CB GLU A 122 17.499 5.996 7.080 1.00 0.00 ATOM 931 CG GLU A 122 18.024 7.358 6.694 1.00 0.00 ATOM 932 CD GLU A 122 17.303 8.496 7.380 1.00 0.00 ATOM 933 OE1 GLU A 122 17.475 9.642 6.927 1.00 0.00 ATOM 934 OE2 GLU A 122 16.552 8.264 8.350 1.00 0.00 ATOM 935 N ALA A 123 18.659 2.988 7.539 1.00 0.00 ATOM 936 CA ALA A 123 18.494 1.682 8.160 1.00 0.00 ATOM 937 C ALA A 123 17.209 1.614 8.962 1.00 0.00 ATOM 938 O ALA A 123 16.914 2.516 9.738 1.00 0.00 ATOM 939 CB ALA A 123 19.660 1.393 9.060 1.00 0.00 ATOM 940 N GLY A 124 16.431 0.561 8.756 1.00 0.00 ATOM 941 CA GLY A 124 15.198 0.425 9.505 1.00 0.00 ATOM 942 C GLY A 124 13.936 0.962 8.866 1.00 0.00 ATOM 943 O GLY A 124 12.855 0.763 9.414 1.00 0.00 ATOM 944 N ASP A 125 14.056 1.632 7.721 1.00 0.00 ATOM 945 CA ASP A 125 12.905 2.200 7.006 1.00 0.00 ATOM 946 C ASP A 125 12.052 1.107 6.406 1.00 0.00 ATOM 947 O ASP A 125 12.560 0.040 6.085 1.00 0.00 ATOM 948 CB ASP A 125 13.369 3.032 5.802 1.00 0.00 ATOM 949 CG ASP A 125 13.855 4.413 6.174 1.00 0.00 ATOM 950 OD1 ASP A 125 13.781 4.828 7.345 1.00 0.00 ATOM 951 OD2 ASP A 125 14.319 5.093 5.250 1.00 0.00 ATOM 952 N ALA A 126 10.768 1.386 6.212 1.00 0.00 ATOM 953 CA ALA A 126 9.892 0.429 5.548 1.00 0.00 ATOM 954 C ALA A 126 10.125 0.742 4.061 1.00 0.00 ATOM 955 O ALA A 126 10.179 1.916 3.663 1.00 0.00 ATOM 956 CB ALA A 126 8.433 0.666 5.936 1.00 0.00 ATOM 957 N LEU A 127 10.343 -0.297 3.260 1.00 0.00 ATOM 958 CA LEU A 127 10.599 -0.117 1.842 1.00 0.00 ATOM 959 C LEU A 127 9.588 -0.810 0.976 1.00 0.00 ATOM 960 O LEU A 127 9.004 -1.815 1.354 1.00 0.00 ATOM 961 CB LEU A 127 11.983 -0.653 1.477 1.00 0.00 ATOM 962 CG LEU A 127 13.172 -0.072 2.242 1.00 0.00 ATOM 963 CD1 LEU A 127 14.415 -0.859 1.917 1.00 0.00 ATOM 964 CD2 LEU A 127 13.344 1.382 1.878 1.00 0.00 ATOM 965 N ALA A 128 9.429 -0.283 -0.226 1.00 0.00 ATOM 966 CA ALA A 128 8.505 -0.830 -1.206 1.00 0.00 ATOM 967 C ALA A 128 9.127 -2.073 -1.844 1.00 0.00 ATOM 968 O ALA A 128 10.356 -2.229 -1.851 1.00 0.00 ATOM 969 CB ALA A 128 8.241 0.212 -2.268 1.00 0.00 ATOM 970 N PRO A 129 8.292 -3.006 -2.333 1.00 0.00 ATOM 971 CA PRO A 129 8.858 -4.202 -2.959 1.00 0.00 ATOM 972 C PRO A 129 9.407 -3.832 -4.339 1.00 0.00 ATOM 973 O PRO A 129 8.961 -2.857 -4.947 1.00 0.00 ATOM 974 CB PRO A 129 7.649 -5.130 -3.055 1.00 0.00 ATOM 975 CG PRO A 129 6.516 -4.183 -3.247 1.00 0.00 ATOM 976 CD PRO A 129 6.823 -3.096 -2.252 1.00 0.00 ATOM 977 N VAL A 130 10.433 -4.552 -4.795 1.00 0.00 ATOM 978 CA VAL A 130 11.017 -4.279 -6.108 1.00 0.00 ATOM 979 C VAL A 130 10.292 -5.126 -7.140 1.00 0.00 ATOM 980 O VAL A 130 10.098 -6.319 -6.932 1.00 0.00 ATOM 981 CB VAL A 130 12.525 -4.613 -6.169 1.00 0.00 ATOM 982 CG1 VAL A 130 13.093 -4.182 -7.525 1.00 0.00 ATOM 983 CG2 VAL A 130 13.273 -3.896 -5.048 1.00 0.00 ATOM 984 N LEU A 131 9.849 -4.489 -8.219 1.00 0.00 ATOM 985 CA LEU A 131 9.134 -5.182 -9.277 1.00 0.00 ATOM 986 C LEU A 131 10.103 -5.605 -10.373 1.00 0.00 ATOM 987 O LEU A 131 10.759 -4.772 -11.000 1.00 0.00 ATOM 988 CB LEU A 131 8.019 -4.297 -9.842 1.00 0.00 ATOM 989 CG LEU A 131 7.028 -3.761 -8.800 1.00 0.00 ATOM 990 CD1 LEU A 131 5.901 -3.052 -9.496 1.00 0.00 ATOM 991 CD2 LEU A 131 6.488 -4.882 -7.946 1.00 0.00 ATOM 992 N ASP A 132 10.242 -6.914 -10.544 1.00 0.00 ATOM 993 CA ASP A 132 11.139 -7.447 -11.556 1.00 0.00 ATOM 994 C ASP A 132 10.514 -7.379 -12.950 1.00 0.00 ATOM 995 O ASP A 132 9.450 -6.783 -13.132 1.00 0.00 ATOM 996 CB ASP A 132 11.580 -8.867 -11.194 1.00 0.00 ATOM 997 CG ASP A 132 10.433 -9.865 -11.181 1.00 0.00 ATOM 998 OD1 ASP A 132 10.629 -10.970 -10.635 1.00 0.00 ATOM 999 OD2 ASP A 132 9.343 -9.576 -11.717 1.00 0.00 ATOM 1000 N GLU A 133 11.137 -8.042 -13.920 1.00 0.00 ATOM 1001 CA GLU A 133 10.622 -7.982 -15.272 1.00 0.00 ATOM 1002 C GLU A 133 9.421 -8.837 -15.618 1.00 0.00 ATOM 1003 O GLU A 133 9.065 -8.926 -16.783 1.00 0.00 ATOM 1004 CB GLU A 133 11.740 -8.134 -16.304 1.00 0.00 ATOM 1005 CG GLU A 133 11.960 -6.869 -17.171 1.00 0.00 ATOM 1006 CD GLU A 133 10.889 -6.672 -18.276 1.00 0.00 ATOM 1007 OE1 GLU A 133 9.817 -6.067 -17.993 1.00 0.00 ATOM 1008 OE2 GLU A 133 11.128 -7.114 -19.436 1.00 0.00 ATOM 1009 N THR A 134 8.775 -9.446 -14.623 1.00 0.00 ATOM 1010 CA THR A 134 7.565 -10.228 -14.898 1.00 0.00 ATOM 1011 C THR A 134 6.405 -9.236 -15.006 1.00 0.00 ATOM 1012 O THR A 134 5.350 -9.541 -15.569 1.00 0.00 ATOM 1013 CB THR A 134 7.241 -11.272 -13.784 1.00 0.00 ATOM 1014 OG1 THR A 134 7.174 -10.640 -12.496 1.00 0.00 ATOM 1015 CG2 THR A 134 8.288 -12.354 -13.756 1.00 0.00 ATOM 1016 N TRP A 135 6.651 -8.020 -14.516 1.00 0.00 ATOM 1017 CA TRP A 135 5.669 -6.943 -14.495 1.00 0.00 ATOM 1018 C TRP A 135 5.685 -6.022 -15.704 1.00 0.00 ATOM 1019 O TRP A 135 6.748 -5.619 -16.170 1.00 0.00 ATOM 1020 CB TRP A 135 5.891 -6.094 -13.247 1.00 0.00 ATOM 1021 CG TRP A 135 5.656 -6.832 -11.967 1.00 0.00 ATOM 1022 CD1 TRP A 135 6.596 -7.416 -11.167 1.00 0.00 ATOM 1023 CD2 TRP A 135 4.400 -7.011 -11.307 1.00 0.00 ATOM 1024 NE1 TRP A 135 6.003 -7.938 -10.044 1.00 0.00 ATOM 1025 CE2 TRP A 135 4.654 -7.701 -10.105 1.00 0.00 ATOM 1026 CE3 TRP A 135 3.080 -6.646 -11.611 1.00 0.00 ATOM 1027 CZ2 TRP A 135 3.639 -8.033 -9.205 1.00 0.00 ATOM 1028 CZ3 TRP A 135 2.074 -6.976 -10.716 1.00 0.00 ATOM 1029 CH2 TRP A 135 2.359 -7.663 -9.528 1.00 0.00 ATOM 1030 N ARG A 136 4.497 -5.675 -16.188 1.00 0.00 ATOM 1031 CA ARG A 136 4.332 -4.750 -17.309 1.00 0.00 ATOM 1032 C ARG A 136 3.676 -3.501 -16.722 1.00 0.00 ATOM 1033 O ARG A 136 2.680 -3.609 -16.004 1.00 0.00 ATOM 1034 CB ARG A 136 3.393 -5.332 -18.371 1.00 0.00 ATOM 1035 CG ARG A 136 3.955 -6.493 -19.180 1.00 0.00 ATOM 1036 CD ARG A 136 3.807 -7.829 -18.453 1.00 0.00 ATOM 1037 NE ARG A 136 2.405 -8.195 -18.226 1.00 0.00 ATOM 1038 CZ ARG A 136 1.722 -9.078 -18.959 1.00 0.00 ATOM 1039 NH1 ARG A 136 2.310 -9.695 -19.982 1.00 0.00 ATOM 1040 NH2 ARG A 136 0.455 -9.367 -18.652 1.00 0.00 ATOM 1041 N GLY A 137 4.192 -2.318 -17.032 1.00 0.00 ATOM 1042 CA GLY A 137 3.575 -1.127 -16.474 1.00 0.00 ATOM 1043 C GLY A 137 3.272 0.049 -17.386 1.00 0.00 ATOM 1044 O GLY A 137 3.739 0.110 -18.520 1.00 0.00 ATOM 1045 N GLU A 138 2.428 0.954 -16.892 1.00 0.00 ATOM 1046 CA GLU A 138 2.061 2.179 -17.603 1.00 0.00 ATOM 1047 C GLU A 138 2.295 3.306 -16.628 1.00 0.00 ATOM 1048 O GLU A 138 1.770 3.286 -15.521 1.00 0.00 ATOM 1049 CB GLU A 138 0.591 2.204 -18.014 1.00 0.00 ATOM 1050 CG GLU A 138 0.143 1.014 -18.794 1.00 0.00 ATOM 1051 CD GLU A 138 -0.638 0.069 -17.923 1.00 0.00 ATOM 1052 OE1 GLU A 138 -0.100 -1.010 -17.568 1.00 0.00 ATOM 1053 OE2 GLU A 138 -1.787 0.433 -17.571 1.00 0.00 ATOM 1054 N THR A 139 3.092 4.279 -17.051 1.00 0.00 ATOM 1055 CA THR A 139 3.432 5.435 -16.238 1.00 0.00 ATOM 1056 C THR A 139 2.562 6.631 -16.593 1.00 0.00 ATOM 1057 O THR A 139 2.492 7.021 -17.758 1.00 0.00 ATOM 1058 CB THR A 139 4.883 5.844 -16.474 1.00 0.00 ATOM 1059 OG1 THR A 139 5.706 4.672 -16.522 1.00 0.00 ATOM 1060 CG2 THR A 139 5.361 6.738 -15.355 1.00 0.00 ATOM 1061 N GLY A 140 1.903 7.203 -15.588 1.00 0.00 ATOM 1062 CA GLY A 140 1.067 8.368 -15.804 1.00 0.00 ATOM 1063 C GLY A 140 1.920 9.620 -15.839 1.00 0.00 ATOM 1064 O GLY A 140 3.127 9.553 -15.641 1.00 0.00 ATOM 1065 N GLU A 141 1.293 10.766 -16.070 1.00 0.00 ATOM 1066 CA GLU A 141 2.012 12.031 -16.141 1.00 0.00 ATOM 1067 C GLU A 141 2.264 12.626 -14.778 1.00 0.00 ATOM 1068 O GLU A 141 1.414 12.541 -13.901 1.00 0.00 ATOM 1069 CB GLU A 141 1.232 13.042 -16.983 1.00 0.00 ATOM 1070 CG GLU A 141 1.127 12.675 -18.468 1.00 0.00 ATOM 1071 CD GLU A 141 2.486 12.537 -19.158 1.00 0.00 ATOM 1072 OE1 GLU A 141 2.698 11.511 -19.846 1.00 0.00 ATOM 1073 OE2 GLU A 141 3.340 13.446 -19.019 1.00 0.00 ATOM 1074 N TRP A 142 3.437 13.226 -14.603 1.00 0.00 ATOM 1075 CA TRP A 142 3.771 13.864 -13.341 1.00 0.00 ATOM 1076 C TRP A 142 2.756 14.987 -13.098 1.00 0.00 ATOM 1077 O TRP A 142 2.270 15.606 -14.042 1.00 0.00 ATOM 1078 CB TRP A 142 5.178 14.463 -13.385 1.00 0.00 ATOM 1079 CG TRP A 142 6.325 13.494 -13.254 1.00 0.00 ATOM 1080 CD1 TRP A 142 7.202 13.135 -14.236 1.00 0.00 ATOM 1081 CD2 TRP A 142 6.801 12.862 -12.050 1.00 0.00 ATOM 1082 NE1 TRP A 142 8.201 12.332 -13.723 1.00 0.00 ATOM 1083 CE2 TRP A 142 7.978 12.150 -12.386 1.00 0.00 ATOM 1084 CE3 TRP A 142 6.354 12.839 -10.723 1.00 0.00 ATOM 1085 CZ2 TRP A 142 8.710 11.422 -11.444 1.00 0.00 ATOM 1086 CZ3 TRP A 142 7.082 12.116 -9.784 1.00 0.00 ATOM 1087 CH2 TRP A 142 8.248 11.416 -10.152 1.00 0.00 ATOM 1088 N ARG A 143 2.407 15.215 -11.839 1.00 0.00 ATOM 1089 CA ARG A 143 1.460 16.260 -11.473 1.00 0.00 ATOM 1090 C ARG A 143 2.019 16.926 -10.226 1.00 0.00 ATOM 1091 O ARG A 143 2.871 16.359 -9.549 1.00 0.00 ATOM 1092 CB ARG A 143 0.074 15.668 -11.142 1.00 0.00 ATOM 1093 CG ARG A 143 -0.463 14.584 -12.102 1.00 0.00 ATOM 1094 CD ARG A 143 -1.877 14.118 -11.684 1.00 0.00 ATOM 1095 NE ARG A 143 -2.332 12.898 -12.377 1.00 0.00 ATOM 1096 CZ ARG A 143 -3.182 11.997 -11.860 1.00 0.00 ATOM 1097 NH1 ARG A 143 -3.686 12.166 -10.635 1.00 0.00 ATOM 1098 NH2 ARG A 143 -3.542 10.923 -12.566 1.00 0.00 ATOM 1099 N PHE A 144 1.579 18.145 -9.940 1.00 0.00 ATOM 1100 CA PHE A 144 2.022 18.831 -8.733 1.00 0.00 ATOM 1101 C PHE A 144 0.923 18.777 -7.673 1.00 0.00 ATOM 1102 O PHE A 144 -0.218 19.157 -7.918 1.00 0.00 ATOM 1103 CB PHE A 144 2.374 20.311 -9.009 1.00 0.00 ATOM 1104 CG PHE A 144 3.851 20.572 -9.211 1.00 0.00 ATOM 1105 CD1 PHE A 144 4.348 20.885 -10.466 1.00 0.00 ATOM 1106 CD2 PHE A 144 4.735 20.516 -8.141 1.00 0.00 ATOM 1107 CE1 PHE A 144 5.696 21.137 -10.651 1.00 0.00 ATOM 1108 CE2 PHE A 144 6.087 20.767 -8.317 1.00 0.00 ATOM 1109 CZ PHE A 144 6.569 21.078 -9.575 1.00 0.00 ATOM 1110 N SER A 145 1.278 18.283 -6.498 1.00 0.00 ATOM 1111 CA SER A 145 0.366 18.213 -5.366 1.00 0.00 ATOM 1112 C SER A 145 0.286 19.615 -4.778 1.00 0.00 ATOM 1113 O SER A 145 1.195 20.421 -4.986 1.00 0.00 ATOM 1114 CB SER A 145 0.973 17.294 -4.317 1.00 0.00 ATOM 1115 OG SER A 145 0.492 17.604 -3.029 1.00 0.00 ATOM 1116 N ARG A 146 -0.762 19.921 -4.021 1.00 0.00 ATOM 1117 CA ARG A 146 -0.799 21.248 -3.427 1.00 0.00 ATOM 1118 C ARG A 146 0.220 21.336 -2.292 1.00 0.00 ATOM 1119 O ARG A 146 0.482 22.417 -1.779 1.00 0.00 ATOM 1120 CB ARG A 146 -2.193 21.651 -2.963 1.00 0.00 ATOM 1121 CG ARG A 146 -2.663 21.015 -1.707 1.00 0.00 ATOM 1122 CD ARG A 146 -4.070 20.505 -1.938 1.00 0.00 ATOM 1123 NE ARG A 146 -4.755 20.213 -0.684 1.00 0.00 ATOM 1124 CZ ARG A 146 -5.723 19.315 -0.550 1.00 0.00 ATOM 1125 NH1 ARG A 146 -6.134 18.594 -1.599 1.00 0.00 ATOM 1126 NH2 ARG A 146 -6.286 19.152 0.641 1.00 0.00 ATOM 1127 N SER A 147 0.806 20.202 -1.907 1.00 0.00 ATOM 1128 CA SER A 147 1.845 20.203 -0.873 1.00 0.00 ATOM 1129 C SER A 147 3.164 20.650 -1.551 1.00 0.00 ATOM 1130 O SER A 147 4.181 20.892 -0.889 1.00 0.00 ATOM 1131 CB SER A 147 2.008 18.810 -0.246 1.00 0.00 ATOM 1132 OG SER A 147 2.525 17.870 -1.180 1.00 0.00 ATOM 1133 N GLY A 148 3.128 20.769 -2.877 1.00 0.00 ATOM 1134 CA GLY A 148 4.297 21.190 -3.613 1.00 0.00 ATOM 1135 C GLY A 148 5.119 20.048 -4.153 1.00 0.00 ATOM 1136 O GLY A 148 6.060 20.269 -4.910 1.00 0.00 ATOM 1137 N LEU A 149 4.784 18.824 -3.766 1.00 0.00 ATOM 1138 CA LEU A 149 5.528 17.668 -4.241 1.00 0.00 ATOM 1139 C LEU A 149 4.998 17.202 -5.569 1.00 0.00 ATOM 1140 O LEU A 149 3.799 17.207 -5.810 1.00 0.00 ATOM 1141 CB LEU A 149 5.445 16.526 -3.233 1.00 0.00 ATOM 1142 CG LEU A 149 6.132 16.756 -1.895 1.00 0.00 ATOM 1143 CD1 LEU A 149 5.898 15.562 -1.020 1.00 0.00 ATOM 1144 CD2 LEU A 149 7.616 16.972 -2.084 1.00 0.00 ATOM 1145 N ARG A 150 5.905 16.830 -6.453 1.00 0.00 ATOM 1146 CA ARG A 150 5.514 16.318 -7.759 1.00 0.00 ATOM 1147 C ARG A 150 5.277 14.815 -7.539 1.00 0.00 ATOM 1148 O ARG A 150 5.957 14.198 -6.723 1.00 0.00 ATOM 1149 CB ARG A 150 6.665 16.550 -8.733 1.00 0.00 ATOM 1150 CG ARG A 150 6.272 16.927 -10.136 1.00 0.00 ATOM 1151 CD ARG A 150 7.485 17.466 -10.890 1.00 0.00 ATOM 1152 NE ARG A 150 8.546 16.467 -10.959 1.00 0.00 ATOM 1153 CZ ARG A 150 8.910 15.824 -12.063 1.00 0.00 ATOM 1154 NH1 ARG A 150 8.307 16.073 -13.218 1.00 0.00 ATOM 1155 NH2 ARG A 150 9.851 14.899 -12.000 1.00 0.00 ATOM 1156 N TYR A 151 4.285 14.236 -8.201 1.00 0.00 ATOM 1157 CA TYR A 151 4.018 12.810 -8.047 1.00 0.00 ATOM 1158 C TYR A 151 3.398 12.249 -9.316 1.00 0.00 ATOM 1159 O TYR A 151 2.906 13.002 -10.158 1.00 0.00 ATOM 1160 CB TYR A 151 3.069 12.552 -6.868 1.00 0.00 ATOM 1161 CG TYR A 151 1.659 13.033 -7.111 1.00 0.00 ATOM 1162 CD1 TYR A 151 0.682 12.173 -7.608 1.00 0.00 ATOM 1163 CD2 TYR A 151 1.309 14.368 -6.890 1.00 0.00 ATOM 1164 CE1 TYR A 151 -0.609 12.633 -7.887 1.00 0.00 ATOM 1165 CE2 TYR A 151 0.019 14.837 -7.165 1.00 0.00 ATOM 1166 CZ TYR A 151 -0.931 13.965 -7.665 1.00 0.00 ATOM 1167 OH TYR A 151 -2.195 14.430 -7.961 1.00 0.00 ATOM 1168 N ARG A 152 3.474 10.931 -9.471 1.00 0.00 ATOM 1169 CA ARG A 152 2.865 10.259 -10.606 1.00 0.00 ATOM 1170 C ARG A 152 2.418 8.866 -10.230 1.00 0.00 ATOM 1171 O ARG A 152 2.920 8.270 -9.286 1.00 0.00 ATOM 1172 CB ARG A 152 3.769 10.228 -11.833 1.00 0.00 ATOM 1173 CG ARG A 152 5.071 9.525 -11.670 1.00 0.00 ATOM 1174 CD ARG A 152 5.712 9.376 -13.022 1.00 0.00 ATOM 1175 NE ARG A 152 7.075 8.903 -12.881 1.00 0.00 ATOM 1176 CZ ARG A 152 7.970 8.871 -13.863 1.00 0.00 ATOM 1177 NH1 ARG A 152 7.640 9.280 -15.077 1.00 0.00 ATOM 1178 NH2 ARG A 152 9.217 8.491 -13.606 1.00 0.00 ATOM 1179 N LEU A 153 1.430 8.376 -10.964 1.00 0.00 ATOM 1180 CA LEU A 153 0.860 7.069 -10.718 1.00 0.00 ATOM 1181 C LEU A 153 1.334 6.056 -11.743 1.00 0.00 ATOM 1182 O LEU A 153 1.555 6.387 -12.906 1.00 0.00 ATOM 1183 CB LEU A 153 -0.668 7.153 -10.739 1.00 0.00 ATOM 1184 CG LEU A 153 -1.325 8.282 -9.924 1.00 0.00 ATOM 1185 CD1 LEU A 153 -2.852 8.179 -10.009 1.00 0.00 ATOM 1186 CD2 LEU A 153 -0.877 8.258 -8.477 1.00 0.00 ATOM 1187 N TYR A 154 1.539 4.829 -11.278 1.00 0.00 ATOM 1188 CA TYR A 154 1.967 3.710 -12.111 1.00 0.00 ATOM 1189 C TYR A 154 0.965 2.580 -11.938 1.00 0.00 ATOM 1190 O TYR A 154 0.433 2.366 -10.851 1.00 0.00 ATOM 1191 CB TYR A 154 3.305 3.163 -11.635 1.00 0.00 ATOM 1192 CG TYR A 154 4.537 3.955 -11.965 1.00 0.00 ATOM 1193 CD1 TYR A 154 4.975 4.978 -11.128 1.00 0.00 ATOM 1194 CD2 TYR A 154 5.339 3.596 -13.054 1.00 0.00 ATOM 1195 CE1 TYR A 154 6.191 5.617 -11.359 1.00 0.00 ATOM 1196 CE2 TYR A 154 6.545 4.224 -13.295 1.00 0.00 ATOM 1197 CZ TYR A 154 6.975 5.229 -12.446 1.00 0.00 ATOM 1198 OH TYR A 154 8.204 5.818 -12.655 1.00 0.00 ATOM 1199 N SER A 155 0.734 1.829 -13.003 1.00 0.00 ATOM 1200 CA SER A 155 -0.163 0.691 -12.954 1.00 0.00 ATOM 1201 C SER A 155 0.575 -0.478 -13.564 1.00 0.00 ATOM 1202 O SER A 155 1.016 -0.416 -14.711 1.00 0.00 ATOM 1203 CB SER A 155 -1.441 0.973 -13.724 1.00 0.00 ATOM 1204 OG SER A 155 -2.278 1.811 -12.958 1.00 0.00 ATOM 1205 N TYR A 156 0.773 -1.512 -12.756 1.00 0.00 ATOM 1206 CA TYR A 156 1.478 -2.701 -13.189 1.00 0.00 ATOM 1207 C TYR A 156 0.574 -3.894 -13.118 1.00 0.00 ATOM 1208 O TYR A 156 -0.313 -3.974 -12.265 1.00 0.00 ATOM 1209 CB TYR A 156 2.655 -2.988 -12.279 1.00 0.00 ATOM 1210 CG TYR A 156 3.749 -1.970 -12.293 1.00 0.00 ATOM 1211 CD1 TYR A 156 3.755 -0.923 -11.372 1.00 0.00 ATOM 1212 CD2 TYR A 156 4.827 -2.096 -13.166 1.00 0.00 ATOM 1213 CE1 TYR A 156 4.798 -0.038 -11.312 1.00 0.00 ATOM 1214 CE2 TYR A 156 5.883 -1.214 -13.114 1.00 0.00 ATOM 1215 CZ TYR A 156 5.863 -0.187 -12.182 1.00 0.00 ATOM 1216 OH TYR A 156 6.925 0.679 -12.091 1.00 0.00 ATOM 1217 N HIS A 157 0.865 -4.856 -13.984 1.00 0.00 ATOM 1218 CA HIS A 157 0.126 -6.102 -14.050 1.00 0.00 ATOM 1219 C HIS A 157 1.036 -7.207 -14.588 1.00 0.00 ATOM 1220 O HIS A 157 2.131 -6.954 -15.106 1.00 0.00 ATOM 1221 CB HIS A 157 -1.112 -5.951 -14.939 1.00 0.00 ATOM 1222 CG HIS A 157 -0.796 -5.532 -16.341 1.00 0.00 ATOM 1223 ND1 HIS A 157 -0.382 -4.254 -16.662 1.00 0.00 ATOM 1224 CD2 HIS A 157 -0.803 -6.229 -17.505 1.00 0.00 ATOM 1225 CE1 HIS A 157 -0.146 -4.184 -17.961 1.00 0.00 ATOM 1226 NE2 HIS A 157 -0.394 -5.368 -18.497 1.00 0.00 ATOM 1227 N ARG A 158 0.601 -8.438 -14.359 1.00 0.00 ATOM 1228 CA ARG A 158 1.283 -9.631 -14.822 1.00 0.00 ATOM 1229 C ARG A 158 0.252 -10.735 -14.697 1.00 0.00 ATOM 1230 O ARG A 158 -0.747 -10.579 -13.993 1.00 0.00 ATOM 1231 CB ARG A 158 2.541 -9.924 -14.001 1.00 0.00 ATOM 1232 CG ARG A 158 2.325 -10.464 -12.617 1.00 0.00 ATOM 1233 CD ARG A 158 3.664 -10.801 -11.994 1.00 0.00 ATOM 1234 NE ARG A 158 3.505 -11.145 -10.584 1.00 0.00 ATOM 1235 CZ ARG A 158 4.498 -11.450 -9.760 1.00 0.00 ATOM 1236 NH1 ARG A 158 5.749 -11.479 -10.194 1.00 0.00 ATOM 1237 NH2 ARG A 158 4.245 -11.665 -8.480 1.00 0.00 ATOM 1238 N SER A 159 0.433 -11.814 -15.442 1.00 0.00 ATOM 1239 CA SER A 159 -0.533 -12.901 -15.384 1.00 0.00 ATOM 1240 C SER A 159 -0.099 -14.117 -14.575 1.00 0.00 ATOM 1241 O SER A 159 -0.928 -15.051 -14.493 1.00 0.00 ATOM 1242 CB SER A 159 -0.960 -13.298 -16.792 1.00 0.00 ATOM 1243 OG SER A 159 -1.558 -12.189 -17.443 1.00 0.00 ATOM 1244 OXT SER A 159 1.011 -14.089 -13.973 1.00 0.00 TER 1245 SER A 159 MODEL 7 REMARK VINA RESULT: -6.4 1.955 3.171 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 3.910 3.825 7.807 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 4.783 2.683 8.352 1.00 20.00 HETATM 3 C1 TOP A 201 6.137 2.899 8.618 1.00 20.00 HETATM 4 N2 TOP A 201 7.066 1.998 8.999 1.00 20.00 HETATM 5 C3 TOP A 201 6.615 0.703 9.218 1.00 20.00 HETATM 6 N5 TOP A 201 5.260 0.353 9.128 1.00 20.00 HETATM 7 C6 TOP A 201 4.368 1.337 8.678 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 7.532 -0.278 9.556 1.00 20.00 HETATM 9 H41 TOP A 201 8.263 -0.189 10.223 1.00 20.00 HETATM 10 H42 TOP A 201 7.505 -1.209 9.136 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 3.073 0.888 8.580 1.00 20.00 HETATM 12 H71 TOP A 201 2.739 0.131 8.010 1.00 20.00 HETATM 13 H72 TOP A 201 2.319 1.312 9.104 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 2.913 3.521 6.639 1.00 20.00 HETATM 15 C11 TOP A 201 3.341 3.054 5.379 1.00 20.00 HETATM 16 C12 TOP A 201 2.475 2.906 4.269 1.00 20.00 HETATM 17 C15 TOP A 201 1.068 3.050 4.465 1.00 20.00 HETATM 18 C18 TOP A 201 0.598 3.393 5.769 1.00 20.00 HETATM 19 C21 TOP A 201 1.522 3.636 6.811 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 2.969 2.409 3.068 1.00 20.00 HETATM 21 C14 TOP A 201 3.238 3.304 1.992 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 0.176 2.684 3.484 1.00 20.00 HETATM 23 C17 TOP A 201 -0.360 3.707 2.655 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 -0.762 3.399 6.038 1.00 20.00 HETATM 25 C20 TOP A 201 -1.162 3.527 7.398 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL laila/./outfile-laila-7.pdb0000664000076600007660000000460612307606044015241 0ustar galaxygalaxyMODEL 8 REMARK VINA RESULT: -6.3 4.975 8.099 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 3.029 1.573 7.617 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 2.962 1.841 6.105 1.00 20.00 HETATM 3 C1 TOP A 201 2.233 0.989 5.272 1.00 20.00 HETATM 4 N2 TOP A 201 2.147 1.012 3.926 1.00 20.00 HETATM 5 C3 TOP A 201 2.812 2.047 3.283 1.00 20.00 HETATM 6 N5 TOP A 201 3.476 3.065 3.985 1.00 20.00 HETATM 7 C6 TOP A 201 3.560 2.939 5.378 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 2.806 2.090 1.900 1.00 20.00 HETATM 9 H41 TOP A 201 2.935 1.317 1.291 1.00 20.00 HETATM 10 H42 TOP A 201 2.641 2.960 1.388 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 4.266 3.958 5.972 1.00 20.00 HETATM 12 H71 TOP A 201 4.601 3.987 6.918 1.00 20.00 HETATM 13 H72 TOP A 201 4.513 4.800 5.469 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 4.297 0.864 8.202 1.00 20.00 HETATM 15 C11 TOP A 201 4.609 -0.483 7.923 1.00 20.00 HETATM 16 C12 TOP A 201 5.668 -1.182 8.549 1.00 20.00 HETATM 17 C15 TOP A 201 6.591 -0.456 9.361 1.00 20.00 HETATM 18 C18 TOP A 201 6.372 0.942 9.552 1.00 20.00 HETATM 19 C21 TOP A 201 5.231 1.560 8.988 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 5.930 -2.501 8.195 1.00 20.00 HETATM 21 C14 TOP A 201 5.334 -3.562 8.937 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 7.761 -1.036 9.792 1.00 20.00 HETATM 23 C17 TOP A 201 8.808 -1.210 8.845 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 7.319 1.711 10.208 1.00 20.00 HETATM 25 C20 TOP A 201 8.285 2.386 9.410 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL laila/./outfile-laila-5.pdb0000664000076600007660000000460612307606044015237 0ustar galaxygalaxyMODEL 6 REMARK VINA RESULT: -6.4 4.357 6.858 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 -1.280 3.402 5.849 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -1.885 4.174 4.665 1.00 20.00 HETATM 3 C1 TOP A 201 -1.933 5.570 4.687 1.00 20.00 HETATM 4 N2 TOP A 201 -2.512 6.398 3.794 1.00 20.00 HETATM 5 C3 TOP A 201 -3.078 5.800 2.676 1.00 20.00 HETATM 6 N5 TOP A 201 -2.994 4.421 2.437 1.00 20.00 HETATM 7 C6 TOP A 201 -2.420 3.626 3.438 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 -3.736 6.595 1.752 1.00 20.00 HETATM 9 H41 TOP A 201 -3.660 7.581 1.672 1.00 20.00 HETATM 10 H42 TOP A 201 -4.356 6.197 1.045 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 -2.422 2.286 3.134 1.00 20.00 HETATM 12 H71 TOP A 201 -2.599 1.525 3.765 1.00 20.00 HETATM 13 H72 TOP A 201 -2.236 1.950 2.198 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 0.237 3.020 5.804 1.00 20.00 HETATM 15 C11 TOP A 201 0.943 2.857 4.593 1.00 20.00 HETATM 16 C12 TOP A 201 2.273 2.378 4.526 1.00 20.00 HETATM 17 C15 TOP A 201 3.015 2.226 5.736 1.00 20.00 HETATM 18 C18 TOP A 201 2.362 2.514 6.972 1.00 20.00 HETATM 19 C21 TOP A 201 0.996 2.883 6.980 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 2.909 2.276 3.294 1.00 20.00 HETATM 21 C14 TOP A 201 3.064 3.437 2.482 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 4.371 1.996 5.709 1.00 20.00 HETATM 23 C17 TOP A 201 4.823 0.653 5.814 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 3.084 2.522 8.155 1.00 20.00 HETATM 25 C20 TOP A 201 3.088 1.329 8.931 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL laila/./ligand-laila-normal.pdb0000664000076600007660000000377112307605424016155 0ustar galaxygalaxyREMARK 4 REMARK 4 File created by VEGA 3.0.0 REMARK 4 HETATM 1 C1 TOP A 201 0.348 0.124 -1.984 1.00 0.00 HETATM 2 N2 TOP A 201 0.605 0.607 -3.220 1.00 0.00 HETATM 3 C3 TOP A 201 0.922 -0.240 -4.179 1.00 0.00 HETATM 4 N4 TOP A 201 1.168 0.240 -5.434 1.00 0.00 HETATM 5 N5 TOP A 201 1.045 -1.595 -4.122 1.00 0.00 HETATM 6 C6 TOP A 201 0.802 -2.128 -2.922 1.00 0.00 HETATM 7 N7 TOP A 201 0.895 -3.453 -2.739 1.00 0.00 HETATM 8 C8 TOP A 201 0.420 -1.229 -1.759 1.00 0.00 HETATM 9 C9 TOP A 201 0.131 -1.822 -0.383 1.00 0.00 HETATM 10 C10 TOP A 201 -0.218 -0.816 0.677 1.00 0.00 HETATM 11 C11 TOP A 201 0.753 -0.598 1.652 1.00 0.00 HETATM 12 C12 TOP A 201 0.539 0.340 2.675 1.00 0.00 HETATM 13 O13 TOP A 201 1.469 0.590 3.655 1.00 0.00 HETATM 14 C14 TOP A 201 2.633 -0.205 3.675 1.00 0.00 HETATM 15 C15 TOP A 201 -0.676 1.051 2.682 1.00 0.00 HETATM 16 O16 TOP A 201 -0.924 2.006 3.677 1.00 0.00 HETATM 17 C17 TOP A 201 -0.397 3.215 3.199 1.00 0.00 HETATM 18 C18 TOP A 201 -1.662 0.834 1.711 1.00 0.00 HETATM 19 O19 TOP A 201 -2.821 1.600 1.841 1.00 0.00 HETATM 20 C20 TOP A 201 -3.589 1.593 0.627 1.00 0.00 HETATM 21 C21 TOP A 201 -1.451 -0.113 0.678 1.00 0.00 TER 22 TOP A 201 CONECT 1 2 8 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 1 6 9 CONECT 9 8 10 CONECT 10 9 11 21 CONECT 11 10 12 CONECT 12 11 13 15 CONECT 13 12 14 CONECT 14 13 CONECT 15 12 16 18 CONECT 16 15 17 CONECT 17 16 CONECT 18 15 19 21 CONECT 19 18 20 CONECT 20 19 CONECT 21 10 18 MASTER 3 0 0 0 0 0 0 0 21 1 21 0 END laila/./laila-vina.log0000664000076600007660000000313712307606043014374 0ustar galaxygalaxy################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# WARNING: The search space volume > 27000 Angstrom^3 (See FAQ) Detected 1 CPU Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 930538324 Performing search ... done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.8 0.000 0.000 2 -6.6 0.979 3.192 3 -6.6 4.353 6.956 4 -6.6 4.385 7.258 5 -6.5 4.393 7.399 6 -6.4 4.357 6.858 7 -6.4 1.955 3.171 8 -6.3 4.975 8.099 9 -6.3 5.422 8.758 Writing output ... done. laila/./outfile-laila-6.pdb0000664000076600007660000000460612307606044015240 0ustar galaxygalaxyMODEL 7 REMARK VINA RESULT: -6.4 1.955 3.171 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 3.910 3.825 7.807 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 4.783 2.683 8.352 1.00 20.00 HETATM 3 C1 TOP A 201 6.137 2.899 8.618 1.00 20.00 HETATM 4 N2 TOP A 201 7.066 1.998 8.999 1.00 20.00 HETATM 5 C3 TOP A 201 6.615 0.703 9.218 1.00 20.00 HETATM 6 N5 TOP A 201 5.260 0.353 9.128 1.00 20.00 HETATM 7 C6 TOP A 201 4.368 1.337 8.678 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 7.532 -0.278 9.556 1.00 20.00 HETATM 9 H41 TOP A 201 8.263 -0.189 10.223 1.00 20.00 HETATM 10 H42 TOP A 201 7.505 -1.209 9.136 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 3.073 0.888 8.580 1.00 20.00 HETATM 12 H71 TOP A 201 2.739 0.131 8.010 1.00 20.00 HETATM 13 H72 TOP A 201 2.319 1.312 9.104 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 2.913 3.521 6.639 1.00 20.00 HETATM 15 C11 TOP A 201 3.341 3.054 5.379 1.00 20.00 HETATM 16 C12 TOP A 201 2.475 2.906 4.269 1.00 20.00 HETATM 17 C15 TOP A 201 1.068 3.050 4.465 1.00 20.00 HETATM 18 C18 TOP A 201 0.598 3.393 5.769 1.00 20.00 HETATM 19 C21 TOP A 201 1.522 3.636 6.811 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 2.969 2.409 3.068 1.00 20.00 HETATM 21 C14 TOP A 201 3.238 3.304 1.992 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 0.176 2.684 3.484 1.00 20.00 HETATM 23 C17 TOP A 201 -0.360 3.707 2.655 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 -0.762 3.399 6.038 1.00 20.00 HETATM 25 C20 TOP A 201 -1.162 3.527 7.398 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL laila/./complex-laila-4.pdb0000664000076600007660000024746612307606044015253 0ustar galaxygalaxyATOM 1 N MET A 1 -7.666 -12.503 -7.596 1.00 0.00 ATOM 2 CA MET A 1 -6.845 -11.294 -7.883 1.00 0.00 ATOM 3 C MET A 1 -6.358 -10.631 -6.595 1.00 0.00 ATOM 4 O MET A 1 -7.159 -10.238 -5.736 1.00 0.00 ATOM 5 CB MET A 1 -7.666 -10.277 -8.686 1.00 0.00 ATOM 6 CG MET A 1 -6.868 -9.138 -9.382 1.00 0.00 ATOM 7 SD MET A 1 -6.016 -7.851 -8.372 1.00 0.00 ATOM 8 CE MET A 1 -7.337 -7.058 -7.519 1.00 0.00 ATOM 9 N VAL A 2 -5.039 -10.569 -6.443 1.00 0.00 ATOM 10 CA VAL A 2 -4.432 -9.905 -5.306 1.00 0.00 ATOM 11 C VAL A 2 -3.626 -8.757 -5.882 1.00 0.00 ATOM 12 O VAL A 2 -2.848 -8.935 -6.820 1.00 0.00 ATOM 13 CB VAL A 2 -3.518 -10.833 -4.505 1.00 0.00 ATOM 14 CG1 VAL A 2 -2.790 -10.057 -3.441 1.00 0.00 ATOM 15 CG2 VAL A 2 -4.333 -11.907 -3.852 1.00 0.00 ATOM 16 N GLY A 3 -3.883 -7.561 -5.370 1.00 0.00 ATOM 17 CA GLY A 3 -3.157 -6.395 -5.826 1.00 0.00 ATOM 18 C GLY A 3 -2.468 -5.721 -4.668 1.00 0.00 ATOM 19 O GLY A 3 -2.866 -5.888 -3.520 1.00 0.00 ATOM 20 N LEU A 4 -1.386 -5.019 -4.962 1.00 0.00 ATOM 21 CA LEU A 4 -0.663 -4.285 -3.945 1.00 0.00 ATOM 22 C LEU A 4 -0.829 -2.807 -4.262 1.00 0.00 ATOM 23 O LEU A 4 -0.918 -2.440 -5.420 1.00 0.00 ATOM 24 CB LEU A 4 0.828 -4.629 -3.989 1.00 0.00 ATOM 25 CG LEU A 4 1.392 -5.804 -3.185 1.00 0.00 ATOM 26 CD1 LEU A 4 0.551 -7.043 -3.328 1.00 0.00 ATOM 27 CD2 LEU A 4 2.836 -6.059 -3.615 1.00 0.00 ATOM 28 N ILE A 5 -0.940 -1.967 -3.239 1.00 0.00 ATOM 29 CA ILE A 5 -1.043 -0.531 -3.464 1.00 0.00 ATOM 30 C ILE A 5 -0.207 0.196 -2.419 1.00 0.00 ATOM 31 O ILE A 5 -0.243 -0.143 -1.235 1.00 0.00 ATOM 32 CB ILE A 5 -2.525 -0.020 -3.488 1.00 0.00 ATOM 33 CG1 ILE A 5 -2.556 1.504 -3.678 1.00 0.00 ATOM 34 CG2 ILE A 5 -3.269 -0.410 -2.227 1.00 0.00 ATOM 35 CD1 ILE A 5 -3.933 2.054 -4.027 1.00 0.00 ATOM 36 N TRP A 6 0.628 1.123 -2.878 1.00 0.00 ATOM 37 CA TRP A 6 1.479 1.898 -1.989 1.00 0.00 ATOM 38 C TRP A 6 1.942 3.188 -2.655 1.00 0.00 ATOM 39 O TRP A 6 1.821 3.357 -3.868 1.00 0.00 ATOM 40 CB TRP A 6 2.719 1.088 -1.567 1.00 0.00 ATOM 41 CG TRP A 6 3.782 0.892 -2.652 1.00 0.00 ATOM 42 CD1 TRP A 6 4.800 1.754 -2.976 1.00 0.00 ATOM 43 CD2 TRP A 6 3.934 -0.246 -3.514 1.00 0.00 ATOM 44 NE1 TRP A 6 5.574 1.221 -3.979 1.00 0.00 ATOM 45 CE2 TRP A 6 5.065 -0.003 -4.329 1.00 0.00 ATOM 46 CE3 TRP A 6 3.229 -1.450 -3.669 1.00 0.00 ATOM 47 CZ2 TRP A 6 5.507 -0.919 -5.289 1.00 0.00 ATOM 48 CZ3 TRP A 6 3.669 -2.359 -4.621 1.00 0.00 ATOM 49 CH2 TRP A 6 4.799 -2.085 -5.419 1.00 0.00 ATOM 50 N ALA A 7 2.491 4.078 -1.838 1.00 0.00 ATOM 51 CA ALA A 7 3.047 5.354 -2.271 1.00 0.00 ATOM 52 C ALA A 7 4.509 5.327 -1.791 1.00 0.00 ATOM 53 O ALA A 7 4.778 5.052 -0.622 1.00 0.00 ATOM 54 CB ALA A 7 2.288 6.522 -1.613 1.00 0.00 ATOM 55 N GLN A 8 5.450 5.583 -2.693 1.00 0.00 ATOM 56 CA GLN A 8 6.860 5.559 -2.331 1.00 0.00 ATOM 57 C GLN A 8 7.632 6.758 -2.847 1.00 0.00 ATOM 58 O GLN A 8 7.283 7.331 -3.880 1.00 0.00 ATOM 59 CB GLN A 8 7.539 4.324 -2.923 1.00 0.00 ATOM 60 CG GLN A 8 7.620 4.364 -4.434 1.00 0.00 ATOM 61 CD GLN A 8 8.529 3.308 -5.000 1.00 0.00 ATOM 62 OE1 GLN A 8 8.129 2.168 -5.184 1.00 0.00 ATOM 63 NE2 GLN A 8 9.765 3.686 -5.296 1.00 0.00 ATOM 64 N ALA A 9 8.690 7.104 -2.113 1.00 0.00 ATOM 65 CA ALA A 9 9.607 8.159 -2.516 1.00 0.00 ATOM 66 C ALA A 9 10.380 7.485 -3.638 1.00 0.00 ATOM 67 O ALA A 9 10.480 6.260 -3.675 1.00 0.00 ATOM 68 CB ALA A 9 10.570 8.523 -1.364 1.00 0.00 ATOM 69 N THR A 10 10.903 8.265 -4.567 1.00 0.00 ATOM 70 CA THR A 10 11.675 7.712 -5.673 1.00 0.00 ATOM 71 C THR A 10 12.703 6.688 -5.168 1.00 0.00 ATOM 72 O THR A 10 12.987 5.686 -5.827 1.00 0.00 ATOM 73 CB THR A 10 12.396 8.862 -6.391 1.00 0.00 ATOM 74 OG1 THR A 10 11.411 9.718 -6.985 1.00 0.00 ATOM 75 CG2 THR A 10 13.361 8.343 -7.452 1.00 0.00 ATOM 76 N SER A 11 13.194 6.925 -3.959 1.00 0.00 ATOM 77 CA SER A 11 14.191 6.086 -3.312 1.00 0.00 ATOM 78 C SER A 11 13.677 4.725 -2.888 1.00 0.00 ATOM 79 O SER A 11 14.466 3.825 -2.601 1.00 0.00 ATOM 80 CB SER A 11 14.721 6.799 -2.079 1.00 0.00 ATOM 81 OG SER A 11 13.709 6.913 -1.093 1.00 0.00 ATOM 82 N GLY A 12 12.356 4.597 -2.784 1.00 0.00 ATOM 83 CA GLY A 12 11.761 3.333 -2.379 1.00 0.00 ATOM 84 C GLY A 12 11.257 3.333 -0.950 1.00 0.00 ATOM 85 O GLY A 12 10.607 2.380 -0.523 1.00 0.00 ATOM 86 N VAL A 13 11.535 4.408 -0.212 1.00 0.00 ATOM 87 CA VAL A 13 11.091 4.521 1.173 1.00 0.00 ATOM 88 C VAL A 13 9.592 4.738 1.196 1.00 0.00 ATOM 89 O VAL A 13 9.078 5.560 0.445 1.00 0.00 ATOM 90 CB VAL A 13 11.782 5.711 1.900 1.00 0.00 ATOM 91 CG1 VAL A 13 11.249 5.869 3.333 1.00 0.00 ATOM 92 CG2 VAL A 13 13.287 5.502 1.916 1.00 0.00 ATOM 93 N ILE A 14 8.888 3.952 2.005 1.00 0.00 ATOM 94 CA ILE A 14 7.449 4.104 2.127 1.00 0.00 ATOM 95 C ILE A 14 7.083 4.445 3.562 1.00 0.00 ATOM 96 O ILE A 14 6.001 4.960 3.822 1.00 0.00 ATOM 97 CB ILE A 14 6.648 2.833 1.700 1.00 0.00 ATOM 98 CG1 ILE A 14 6.988 1.644 2.596 1.00 0.00 ATOM 99 CG2 ILE A 14 6.872 2.524 0.242 1.00 0.00 ATOM 100 CD1 ILE A 14 6.010 0.468 2.490 1.00 0.00 ATOM 101 N GLY A 15 7.994 4.191 4.498 1.00 0.00 ATOM 102 CA GLY A 15 7.699 4.471 5.895 1.00 0.00 ATOM 103 C GLY A 15 8.940 4.712 6.725 1.00 0.00 ATOM 104 O GLY A 15 10.000 4.147 6.452 1.00 0.00 ATOM 105 N ARG A 16 8.804 5.566 7.734 1.00 0.00 ATOM 106 CA ARG A 16 9.905 5.906 8.632 1.00 0.00 ATOM 107 C ARG A 16 9.331 6.375 9.963 1.00 0.00 ATOM 108 O ARG A 16 8.442 7.217 9.985 1.00 0.00 ATOM 109 CB ARG A 16 10.781 7.004 8.026 1.00 0.00 ATOM 110 CG ARG A 16 11.960 7.387 8.905 1.00 0.00 ATOM 111 CD ARG A 16 12.892 8.330 8.189 1.00 0.00 ATOM 112 NE ARG A 16 13.458 7.722 6.993 1.00 0.00 ATOM 113 CZ ARG A 16 14.131 8.394 6.067 1.00 0.00 ATOM 114 NH1 ARG A 16 14.310 9.691 6.204 1.00 0.00 ATOM 115 NH2 ARG A 16 14.642 7.775 5.009 1.00 0.00 ATOM 116 N GLY A 17 9.825 5.814 11.068 1.00 0.00 ATOM 117 CA GLY A 17 9.339 6.191 12.390 1.00 0.00 ATOM 118 C GLY A 17 7.873 5.849 12.592 1.00 0.00 ATOM 119 O GLY A 17 7.176 6.454 13.409 1.00 0.00 ATOM 120 N GLY A 18 7.400 4.869 11.835 1.00 0.00 ATOM 121 CA GLY A 18 6.015 4.474 11.934 1.00 0.00 ATOM 122 C GLY A 18 5.066 5.376 11.166 1.00 0.00 ATOM 123 O GLY A 18 3.859 5.183 11.252 1.00 0.00 ATOM 124 N ASP A 19 5.588 6.326 10.392 1.00 0.00 ATOM 125 CA ASP A 19 4.741 7.244 9.620 1.00 0.00 ATOM 126 C ASP A 19 5.092 7.223 8.138 1.00 0.00 ATOM 127 O ASP A 19 6.038 6.562 7.726 1.00 0.00 ATOM 128 CB ASP A 19 4.943 8.700 10.087 1.00 0.00 ATOM 129 CG ASP A 19 4.688 8.901 11.574 1.00 0.00 ATOM 130 OD1 ASP A 19 5.505 9.604 12.222 1.00 0.00 ATOM 131 OD2 ASP A 19 3.676 8.375 12.088 1.00 0.00 ATOM 132 N ILE A 20 4.278 7.904 7.338 1.00 0.00 ATOM 133 CA ILE A 20 4.557 8.060 5.921 1.00 0.00 ATOM 134 C ILE A 20 5.328 9.381 5.998 1.00 0.00 ATOM 135 O ILE A 20 4.806 10.369 6.504 1.00 0.00 ATOM 136 CB ILE A 20 3.279 8.207 5.094 1.00 0.00 ATOM 137 CG1 ILE A 20 2.551 6.858 5.032 1.00 0.00 ATOM 138 CG2 ILE A 20 3.613 8.681 3.705 1.00 0.00 ATOM 139 CD1 ILE A 20 1.351 6.819 4.092 1.00 0.00 ATOM 140 N PRO A 21 6.577 9.414 5.506 1.00 0.00 ATOM 141 CA PRO A 21 7.424 10.608 5.542 1.00 0.00 ATOM 142 C PRO A 21 7.161 11.744 4.554 1.00 0.00 ATOM 143 O PRO A 21 8.101 12.386 4.085 1.00 0.00 ATOM 144 CB PRO A 21 8.841 10.039 5.361 1.00 0.00 ATOM 145 CG PRO A 21 8.653 8.531 5.121 1.00 0.00 ATOM 146 CD PRO A 21 7.228 8.354 4.725 1.00 0.00 ATOM 147 N TRP A 22 5.899 11.999 4.242 1.00 0.00 ATOM 148 CA TRP A 22 5.542 13.081 3.325 1.00 0.00 ATOM 149 C TRP A 22 4.056 13.356 3.383 1.00 0.00 ATOM 150 O TRP A 22 3.289 12.556 3.909 1.00 0.00 ATOM 151 CB TRP A 22 5.946 12.765 1.874 1.00 0.00 ATOM 152 CG TRP A 22 5.300 11.539 1.284 1.00 0.00 ATOM 153 CD1 TRP A 22 4.031 11.431 0.797 1.00 0.00 ATOM 154 CD2 TRP A 22 5.895 10.246 1.137 1.00 0.00 ATOM 155 NE1 TRP A 22 3.796 10.146 0.361 1.00 0.00 ATOM 156 CE2 TRP A 22 4.923 9.399 0.560 1.00 0.00 ATOM 157 CE3 TRP A 22 7.158 9.716 1.445 1.00 0.00 ATOM 158 CZ2 TRP A 22 5.171 8.056 0.285 1.00 0.00 ATOM 159 CZ3 TRP A 22 7.400 8.369 1.168 1.00 0.00 ATOM 160 CH2 TRP A 22 6.409 7.561 0.597 1.00 0.00 ATOM 161 N ARG A 23 3.665 14.501 2.840 1.00 0.00 ATOM 162 CA ARG A 23 2.262 14.893 2.793 1.00 0.00 ATOM 163 C ARG A 23 1.862 14.994 1.332 1.00 0.00 ATOM 164 O ARG A 23 2.514 15.679 0.538 1.00 0.00 ATOM 165 CB ARG A 23 1.993 16.228 3.514 1.00 0.00 ATOM 166 CG ARG A 23 3.174 16.877 4.228 1.00 0.00 ATOM 167 CD ARG A 23 4.185 17.444 3.223 1.00 0.00 ATOM 168 NE ARG A 23 5.295 16.523 2.965 1.00 0.00 ATOM 169 CZ ARG A 23 6.397 16.843 2.292 1.00 0.00 ATOM 170 NH1 ARG A 23 6.545 18.062 1.783 1.00 0.00 ATOM 171 NH2 ARG A 23 7.392 15.970 2.192 1.00 0.00 ATOM 172 N LEU A 24 0.805 14.271 0.985 1.00 0.00 ATOM 173 CA LEU A 24 0.281 14.219 -0.371 1.00 0.00 ATOM 174 C LEU A 24 -1.200 13.995 -0.195 1.00 0.00 ATOM 175 O LEU A 24 -1.671 12.863 -0.223 1.00 0.00 ATOM 176 CB LEU A 24 0.902 13.035 -1.135 1.00 0.00 ATOM 177 CG LEU A 24 0.633 12.905 -2.635 1.00 0.00 ATOM 178 CD1 LEU A 24 1.054 14.154 -3.341 1.00 0.00 ATOM 179 CD2 LEU A 24 1.411 11.758 -3.197 1.00 0.00 ATOM 180 N PRO A 25 -1.959 15.078 0.009 1.00 0.00 ATOM 181 CA PRO A 25 -3.407 15.018 0.204 1.00 0.00 ATOM 182 C PRO A 25 -4.194 14.334 -0.910 1.00 0.00 ATOM 183 O PRO A 25 -5.222 13.722 -0.635 1.00 0.00 ATOM 184 CB PRO A 25 -3.788 16.486 0.385 1.00 0.00 ATOM 185 CG PRO A 25 -2.724 17.222 -0.371 1.00 0.00 ATOM 186 CD PRO A 25 -1.488 16.473 0.021 1.00 0.00 ATOM 187 N GLU A 26 -3.696 14.383 -2.144 1.00 0.00 ATOM 188 CA GLU A 26 -4.383 13.750 -3.274 1.00 0.00 ATOM 189 C GLU A 26 -4.278 12.226 -3.254 1.00 0.00 ATOM 190 O GLU A 26 -4.952 11.535 -4.023 1.00 0.00 ATOM 191 CB GLU A 26 -3.813 14.248 -4.603 1.00 0.00 ATOM 192 CG GLU A 26 -3.989 15.732 -4.844 1.00 0.00 ATOM 193 CD GLU A 26 -2.898 16.573 -4.223 1.00 0.00 ATOM 194 OE1 GLU A 26 -2.070 16.028 -3.462 1.00 0.00 ATOM 195 OE2 GLU A 26 -2.867 17.793 -4.509 1.00 0.00 ATOM 196 N ASP A 27 -3.400 11.714 -2.400 1.00 0.00 ATOM 197 CA ASP A 27 -3.174 10.279 -2.296 1.00 0.00 ATOM 198 C ASP A 27 -4.391 9.570 -1.732 1.00 0.00 ATOM 199 O ASP A 27 -4.848 8.566 -2.276 1.00 0.00 ATOM 200 CB ASP A 27 -1.938 10.018 -1.423 1.00 0.00 ATOM 201 CG ASP A 27 -1.631 8.537 -1.236 1.00 0.00 ATOM 202 OD1 ASP A 27 -1.279 7.852 -2.212 1.00 0.00 ATOM 203 OD2 ASP A 27 -1.709 8.063 -0.089 1.00 0.00 ATOM 204 N GLN A 28 -4.946 10.149 -0.678 1.00 0.00 ATOM 205 CA GLN A 28 -6.104 9.590 0.013 1.00 0.00 ATOM 206 C GLN A 28 -7.252 9.211 -0.914 1.00 0.00 ATOM 207 O GLN A 28 -7.851 8.144 -0.766 1.00 0.00 ATOM 208 CB GLN A 28 -6.584 10.582 1.074 1.00 0.00 ATOM 209 CG GLN A 28 -5.429 11.160 1.904 1.00 0.00 ATOM 210 CD GLN A 28 -5.753 12.517 2.536 1.00 0.00 ATOM 211 OE1 GLN A 28 -6.578 13.292 2.020 1.00 0.00 ATOM 212 NE2 GLN A 28 -5.081 12.822 3.649 1.00 0.00 ATOM 213 N ALA A 29 -7.536 10.082 -1.879 1.00 0.00 ATOM 214 CA ALA A 29 -8.618 9.872 -2.829 1.00 0.00 ATOM 215 C ALA A 29 -8.303 8.806 -3.862 1.00 0.00 ATOM 216 O ALA A 29 -9.203 8.103 -4.319 1.00 0.00 ATOM 217 CB ALA A 29 -8.972 11.177 -3.507 1.00 0.00 ATOM 218 N HIS A 30 -7.044 8.718 -4.285 1.00 0.00 ATOM 219 CA HIS A 30 -6.665 7.697 -5.257 1.00 0.00 ATOM 220 C HIS A 30 -6.693 6.320 -4.573 1.00 0.00 ATOM 221 O HIS A 30 -7.133 5.326 -5.146 1.00 0.00 ATOM 222 CB HIS A 30 -5.277 7.966 -5.839 1.00 0.00 ATOM 223 CG HIS A 30 -4.825 6.897 -6.785 1.00 0.00 ATOM 224 ND1 HIS A 30 -3.750 6.071 -6.519 1.00 0.00 ATOM 225 CD2 HIS A 30 -5.347 6.468 -7.957 1.00 0.00 ATOM 226 CE1 HIS A 30 -3.633 5.179 -7.487 1.00 0.00 ATOM 227 NE2 HIS A 30 -4.588 5.397 -8.372 1.00 0.00 ATOM 228 N PHE A 31 -6.206 6.277 -3.343 1.00 0.00 ATOM 229 CA PHE A 31 -6.192 5.053 -2.560 1.00 0.00 ATOM 230 C PHE A 31 -7.633 4.585 -2.367 1.00 0.00 ATOM 231 O PHE A 31 -7.949 3.413 -2.574 1.00 0.00 ATOM 232 CB PHE A 31 -5.520 5.331 -1.210 1.00 0.00 ATOM 233 CG PHE A 31 -5.630 4.207 -0.216 1.00 0.00 ATOM 234 CD1 PHE A 31 -4.886 3.042 -0.370 1.00 0.00 ATOM 235 CD2 PHE A 31 -6.469 4.325 0.885 1.00 0.00 ATOM 236 CE1 PHE A 31 -4.972 2.014 0.556 1.00 0.00 ATOM 237 CE2 PHE A 31 -6.560 3.303 1.821 1.00 0.00 ATOM 238 CZ PHE A 31 -5.805 2.139 1.653 1.00 0.00 ATOM 239 N ARG A 32 -8.509 5.519 -2.010 1.00 0.00 ATOM 240 CA ARG A 32 -9.917 5.229 -1.786 1.00 0.00 ATOM 241 C ARG A 32 -10.570 4.670 -3.044 1.00 0.00 ATOM 242 O ARG A 32 -11.207 3.620 -3.008 1.00 0.00 ATOM 243 CB ARG A 32 -10.645 6.504 -1.341 1.00 0.00 ATOM 244 CG ARG A 32 -12.093 6.299 -0.929 1.00 0.00 ATOM 245 CD ARG A 32 -12.817 7.625 -0.717 1.00 0.00 ATOM 246 NE ARG A 32 -14.239 7.447 -0.370 1.00 0.00 ATOM 247 CZ ARG A 32 -15.183 6.942 -1.175 1.00 0.00 ATOM 248 NH1 ARG A 32 -14.887 6.545 -2.408 1.00 0.00 ATOM 249 NH2 ARG A 32 -16.433 6.822 -0.737 1.00 0.00 ATOM 250 N GLU A 33 -10.348 5.350 -4.164 1.00 0.00 ATOM 251 CA GLU A 33 -10.913 4.971 -5.445 1.00 0.00 ATOM 252 C GLU A 33 -10.592 3.528 -5.824 1.00 0.00 ATOM 253 O GLU A 33 -11.457 2.794 -6.302 1.00 0.00 ATOM 254 CB GLU A 33 -10.398 5.930 -6.529 1.00 0.00 ATOM 255 CG GLU A 33 -11.332 6.143 -7.718 1.00 0.00 ATOM 256 CD GLU A 33 -11.653 4.853 -8.465 1.00 0.00 ATOM 257 OE1 GLU A 33 -10.734 4.296 -9.114 1.00 0.00 ATOM 258 OE2 GLU A 33 -12.818 4.384 -8.385 1.00 0.00 ATOM 259 N ILE A 34 -9.354 3.118 -5.582 1.00 0.00 ATOM 260 CA ILE A 34 -8.901 1.777 -5.929 1.00 0.00 ATOM 261 C ILE A 34 -9.386 0.692 -4.964 1.00 0.00 ATOM 262 O ILE A 34 -9.823 -0.386 -5.395 1.00 0.00 ATOM 263 CB ILE A 34 -7.343 1.748 -6.011 1.00 0.00 ATOM 264 CG1 ILE A 34 -6.848 2.478 -7.270 1.00 0.00 ATOM 265 CG2 ILE A 34 -6.813 0.328 -5.939 1.00 0.00 ATOM 266 CD1 ILE A 34 -7.175 1.780 -8.566 1.00 0.00 ATOM 267 N THR A 35 -9.341 0.996 -3.669 1.00 0.00 ATOM 268 CA THR A 35 -9.709 0.037 -2.634 1.00 0.00 ATOM 269 C THR A 35 -11.167 -0.058 -2.203 1.00 0.00 ATOM 270 O THR A 35 -11.588 -1.093 -1.691 1.00 0.00 ATOM 271 CB THR A 35 -8.831 0.239 -1.366 1.00 0.00 ATOM 272 OG1 THR A 35 -9.074 1.530 -0.780 1.00 0.00 ATOM 273 CG2 THR A 35 -7.357 0.114 -1.723 1.00 0.00 ATOM 274 N MET A 36 -11.944 0.997 -2.430 1.00 0.00 ATOM 275 CA MET A 36 -13.336 1.027 -1.993 1.00 0.00 ATOM 276 C MET A 36 -14.174 -0.193 -2.371 1.00 0.00 ATOM 277 O MET A 36 -14.125 -0.665 -3.497 1.00 0.00 ATOM 278 CB MET A 36 -14.010 2.316 -2.471 1.00 0.00 ATOM 279 CG MET A 36 -15.363 2.562 -1.818 1.00 0.00 ATOM 280 SD MET A 36 -15.317 2.566 -0.000 1.00 0.00 ATOM 281 CE MET A 36 -14.159 3.876 0.311 1.00 0.00 ATOM 282 N GLY A 37 -14.916 -0.721 -1.396 1.00 0.00 ATOM 283 CA GLY A 37 -15.761 -1.880 -1.632 1.00 0.00 ATOM 284 C GLY A 37 -15.056 -3.229 -1.665 1.00 0.00 ATOM 285 O GLY A 37 -15.703 -4.259 -1.875 1.00 0.00 ATOM 286 N HIS A 38 -13.744 -3.248 -1.455 1.00 0.00 ATOM 287 CA HIS A 38 -13.010 -4.505 -1.491 1.00 0.00 ATOM 288 C HIS A 38 -12.480 -4.894 -0.138 1.00 0.00 ATOM 289 O HIS A 38 -12.702 -4.211 0.850 1.00 0.00 ATOM 290 CB HIS A 38 -11.841 -4.432 -2.482 1.00 0.00 ATOM 291 CG HIS A 38 -12.260 -4.148 -3.890 1.00 0.00 ATOM 292 ND1 HIS A 38 -13.173 -4.932 -4.566 1.00 0.00 ATOM 293 CD2 HIS A 38 -11.940 -3.136 -4.728 1.00 0.00 ATOM 294 CE1 HIS A 38 -13.403 -4.409 -5.756 1.00 0.00 ATOM 295 NE2 HIS A 38 -12.668 -3.319 -5.879 1.00 0.00 ATOM 296 N THR A 39 -11.869 -6.067 -0.084 1.00 0.00 ATOM 297 CA THR A 39 -11.259 -6.529 1.142 1.00 0.00 ATOM 298 C THR A 39 -9.863 -5.925 1.094 1.00 0.00 ATOM 299 O THR A 39 -9.238 -5.868 0.027 1.00 0.00 ATOM 300 CB THR A 39 -11.154 -8.081 1.181 1.00 0.00 ATOM 301 OG1 THR A 39 -12.449 -8.637 1.411 1.00 0.00 ATOM 302 CG2 THR A 39 -10.218 -8.543 2.296 1.00 0.00 ATOM 303 N ILE A 40 -9.410 -5.393 2.225 1.00 0.00 ATOM 304 CA ILE A 40 -8.068 -4.826 2.301 1.00 0.00 ATOM 305 C ILE A 40 -7.246 -5.562 3.363 1.00 0.00 ATOM 306 O ILE A 40 -7.737 -5.844 4.452 1.00 0.00 ATOM 307 CB ILE A 40 -8.098 -3.308 2.591 1.00 0.00 ATOM 308 CG1 ILE A 40 -8.798 -3.031 3.911 1.00 0.00 ATOM 309 CG2 ILE A 40 -8.824 -2.573 1.463 1.00 0.00 ATOM 310 CD1 ILE A 40 -8.736 -1.604 4.296 1.00 0.00 ATOM 311 N VAL A 41 -6.025 -5.942 3.003 1.00 0.00 ATOM 312 CA VAL A 41 -5.128 -6.650 3.913 1.00 0.00 ATOM 313 C VAL A 41 -3.934 -5.778 4.331 1.00 0.00 ATOM 314 O VAL A 41 -3.319 -5.111 3.509 1.00 0.00 ATOM 315 CB VAL A 41 -4.654 -7.973 3.274 1.00 0.00 ATOM 316 CG1 VAL A 41 -3.593 -8.651 4.140 1.00 0.00 ATOM 317 CG2 VAL A 41 -5.835 -8.881 3.094 1.00 0.00 ATOM 318 N MET A 42 -3.626 -5.774 5.623 1.00 0.00 ATOM 319 CA MET A 42 -2.522 -4.979 6.127 1.00 0.00 ATOM 320 C MET A 42 -1.817 -5.675 7.293 1.00 0.00 ATOM 321 O MET A 42 -2.404 -6.524 7.968 1.00 0.00 ATOM 322 CB MET A 42 -3.051 -3.626 6.609 1.00 0.00 ATOM 323 CG MET A 42 -3.849 -3.719 7.916 1.00 0.00 ATOM 324 SD MET A 42 -4.709 -2.223 8.288 1.00 0.00 ATOM 325 CE MET A 42 -6.237 -2.544 7.404 1.00 0.00 ATOM 326 N GLY A 43 -0.551 -5.326 7.506 1.00 0.00 ATOM 327 CA GLY A 43 0.185 -5.871 8.631 1.00 0.00 ATOM 328 C GLY A 43 -0.224 -5.129 9.890 1.00 0.00 ATOM 329 O GLY A 43 -0.690 -3.997 9.826 1.00 0.00 ATOM 330 N ARG A 44 -0.031 -5.757 11.043 1.00 0.00 ATOM 331 CA ARG A 44 -0.402 -5.174 12.326 1.00 0.00 ATOM 332 C ARG A 44 0.132 -3.763 12.530 1.00 0.00 ATOM 333 O ARG A 44 -0.547 -2.894 13.077 1.00 0.00 ATOM 334 CB ARG A 44 0.074 -6.106 13.450 1.00 0.00 ATOM 335 CG ARG A 44 -0.524 -5.833 14.825 1.00 0.00 ATOM 336 CD ARG A 44 0.373 -4.957 15.655 1.00 0.00 ATOM 337 NE ARG A 44 1.670 -5.592 15.869 1.00 0.00 ATOM 338 CZ ARG A 44 2.760 -4.945 16.274 1.00 0.00 ATOM 339 NH1 ARG A 44 2.717 -3.642 16.513 1.00 0.00 ATOM 340 NH2 ARG A 44 3.899 -5.600 16.426 1.00 0.00 ATOM 341 N ARG A 45 1.361 -3.531 12.105 1.00 0.00 ATOM 342 CA ARG A 45 1.953 -2.214 12.262 1.00 0.00 ATOM 343 C ARG A 45 1.273 -1.156 11.412 1.00 0.00 ATOM 344 O ARG A 45 1.250 0.018 11.788 1.00 0.00 ATOM 345 CB ARG A 45 3.433 -2.250 11.946 1.00 0.00 ATOM 346 CG ARG A 45 4.264 -2.998 12.936 1.00 0.00 ATOM 347 CD ARG A 45 5.688 -2.749 12.567 1.00 0.00 ATOM 348 NE ARG A 45 6.623 -3.333 13.499 1.00 0.00 ATOM 349 CZ ARG A 45 7.877 -3.628 13.178 1.00 0.00 ATOM 350 NH1 ARG A 45 8.320 -3.384 11.948 1.00 0.00 ATOM 351 NH2 ARG A 45 8.685 -4.177 14.080 1.00 0.00 ATOM 352 N THR A 46 0.782 -1.540 10.236 1.00 0.00 ATOM 353 CA THR A 46 0.077 -0.582 9.390 1.00 0.00 ATOM 354 C THR A 46 -1.250 -0.245 10.080 1.00 0.00 ATOM 355 O THR A 46 -1.678 0.907 10.107 1.00 0.00 ATOM 356 CB THR A 46 -0.154 -1.140 7.971 1.00 0.00 ATOM 357 OG1 THR A 46 1.106 -1.230 7.298 1.00 0.00 ATOM 358 CG2 THR A 46 -1.048 -0.223 7.166 1.00 0.00 ATOM 359 N TRP A 47 -1.872 -1.256 10.679 1.00 0.00 ATOM 360 CA TRP A 47 -3.115 -1.055 11.402 1.00 0.00 ATOM 361 C TRP A 47 -2.878 -0.041 12.524 1.00 0.00 ATOM 362 O TRP A 47 -3.661 0.889 12.690 1.00 0.00 ATOM 363 CB TRP A 47 -3.612 -2.376 11.994 1.00 0.00 ATOM 364 CG TRP A 47 -4.765 -2.169 12.941 1.00 0.00 ATOM 365 CD1 TRP A 47 -4.698 -2.091 14.300 1.00 0.00 ATOM 366 CD2 TRP A 47 -6.158 -2.025 12.597 1.00 0.00 ATOM 367 NE1 TRP A 47 -5.957 -1.911 14.825 1.00 0.00 ATOM 368 CE2 TRP A 47 -6.871 -1.876 13.803 1.00 0.00 ATOM 369 CE3 TRP A 47 -6.873 -2.024 11.387 1.00 0.00 ATOM 370 CZ2 TRP A 47 -8.269 -1.728 13.839 1.00 0.00 ATOM 371 CZ3 TRP A 47 -8.268 -1.876 11.421 1.00 0.00 ATOM 372 CH2 TRP A 47 -8.944 -1.731 12.640 1.00 0.00 ATOM 373 N ASP A 48 -1.801 -0.233 13.294 1.00 0.00 ATOM 374 CA ASP A 48 -1.444 0.680 14.389 1.00 0.00 ATOM 375 C ASP A 48 -1.166 2.086 13.871 1.00 0.00 ATOM 376 O ASP A 48 -1.431 3.070 14.551 1.00 0.00 ATOM 377 CB ASP A 48 -0.210 0.176 15.141 1.00 0.00 ATOM 378 CG ASP A 48 -0.474 -1.104 15.924 1.00 0.00 ATOM 379 OD1 ASP A 48 0.508 -1.822 16.198 1.00 0.00 ATOM 380 OD2 ASP A 48 -1.640 -1.395 16.276 1.00 0.00 ATOM 381 N SER A 49 -0.650 2.164 12.649 1.00 0.00 ATOM 382 CA SER A 49 -0.326 3.424 11.995 1.00 0.00 ATOM 383 C SER A 49 -1.577 4.215 11.592 1.00 0.00 ATOM 384 O SER A 49 -1.538 5.435 11.460 1.00 0.00 ATOM 385 CB SER A 49 0.535 3.136 10.761 1.00 0.00 ATOM 386 OG SER A 49 1.005 4.326 10.156 1.00 0.00 ATOM 387 N LEU A 50 -2.687 3.524 11.373 1.00 0.00 ATOM 388 CA LEU A 50 -3.911 4.210 10.987 1.00 0.00 ATOM 389 C LEU A 50 -4.449 5.055 12.142 1.00 0.00 ATOM 390 O LEU A 50 -4.480 4.600 13.294 1.00 0.00 ATOM 391 CB LEU A 50 -4.985 3.201 10.565 1.00 0.00 ATOM 392 CG LEU A 50 -4.779 2.349 9.315 1.00 0.00 ATOM 393 CD1 LEU A 50 -5.925 1.369 9.172 1.00 0.00 ATOM 394 CD2 LEU A 50 -4.684 3.244 8.100 1.00 0.00 ATOM 395 N PRO A 51 -4.837 6.317 11.863 1.00 0.00 ATOM 396 CA PRO A 51 -5.379 7.165 12.932 1.00 0.00 ATOM 397 C PRO A 51 -6.633 6.473 13.484 1.00 0.00 ATOM 398 O PRO A 51 -7.413 5.888 12.723 1.00 0.00 ATOM 399 CB PRO A 51 -5.748 8.447 12.189 1.00 0.00 ATOM 400 CG PRO A 51 -4.734 8.504 11.088 1.00 0.00 ATOM 401 CD PRO A 51 -4.709 7.073 10.601 1.00 0.00 ATOM 402 N ALA A 52 -6.809 6.515 14.801 1.00 0.00 ATOM 403 CA ALA A 52 -7.959 5.886 15.450 1.00 0.00 ATOM 404 C ALA A 52 -9.321 6.300 14.895 1.00 0.00 ATOM 405 O ALA A 52 -10.250 5.496 14.841 1.00 0.00 ATOM 406 CB ALA A 52 -7.916 6.148 16.934 1.00 0.00 ATOM 407 N LYS A 53 -9.445 7.549 14.469 1.00 0.00 ATOM 408 CA LYS A 53 -10.711 8.026 13.938 1.00 0.00 ATOM 409 C LYS A 53 -11.013 7.506 12.543 1.00 0.00 ATOM 410 O LYS A 53 -12.160 7.531 12.119 1.00 0.00 ATOM 411 CB LYS A 53 -10.767 9.555 13.960 1.00 0.00 ATOM 412 CG LYS A 53 -9.831 10.241 12.993 1.00 0.00 ATOM 413 CD LYS A 53 -9.901 11.752 13.143 1.00 0.00 ATOM 414 CE LYS A 53 -9.174 12.463 11.995 1.00 0.00 ATOM 415 NZ LYS A 53 -7.769 11.964 11.782 1.00 0.00 ATOM 416 N VAL A 54 -9.999 7.024 11.830 1.00 0.00 ATOM 417 CA VAL A 54 -10.225 6.516 10.472 1.00 0.00 ATOM 418 C VAL A 54 -10.237 4.989 10.334 1.00 0.00 ATOM 419 O VAL A 54 -10.530 4.483 9.260 1.00 0.00 ATOM 420 CB VAL A 54 -9.221 7.125 9.416 1.00 0.00 ATOM 421 CG1 VAL A 54 -8.982 8.609 9.679 1.00 0.00 ATOM 422 CG2 VAL A 54 -7.902 6.364 9.385 1.00 0.00 ATOM 423 N ARG A 55 -9.949 4.256 11.409 1.00 0.00 ATOM 424 CA ARG A 55 -9.922 2.798 11.350 1.00 0.00 ATOM 425 C ARG A 55 -11.078 2.142 12.099 1.00 0.00 ATOM 426 O ARG A 55 -11.422 2.557 13.202 1.00 0.00 ATOM 427 CB ARG A 55 -8.614 2.275 11.917 1.00 0.00 ATOM 428 CG ARG A 55 -8.538 2.416 13.398 1.00 0.00 ATOM 429 CD ARG A 55 -7.536 1.488 13.973 1.00 0.00 ATOM 430 NE ARG A 55 -6.330 2.195 14.352 1.00 0.00 ATOM 431 CZ ARG A 55 -5.609 1.915 15.430 1.00 0.00 ATOM 432 NH1 ARG A 55 -5.975 0.939 16.245 1.00 0.00 ATOM 433 NH2 ARG A 55 -4.509 2.606 15.688 1.00 0.00 ATOM 434 N PRO A 56 -11.656 1.065 11.538 1.00 0.00 ATOM 435 CA PRO A 56 -11.284 0.452 10.263 1.00 0.00 ATOM 436 C PRO A 56 -11.656 1.357 9.102 1.00 0.00 ATOM 437 O PRO A 56 -12.540 2.198 9.230 1.00 0.00 ATOM 438 CB PRO A 56 -12.124 -0.819 10.250 1.00 0.00 ATOM 439 CG PRO A 56 -13.365 -0.389 10.950 1.00 0.00 ATOM 440 CD PRO A 56 -12.799 0.347 12.136 1.00 0.00 ATOM 441 N LEU A 57 -10.941 1.226 7.990 1.00 0.00 ATOM 442 CA LEU A 57 -11.234 2.025 6.813 1.00 0.00 ATOM 443 C LEU A 57 -12.651 1.688 6.367 1.00 0.00 ATOM 444 O LEU A 57 -12.974 0.516 6.137 1.00 0.00 ATOM 445 CB LEU A 57 -10.241 1.709 5.706 1.00 0.00 ATOM 446 CG LEU A 57 -8.825 2.091 6.091 1.00 0.00 ATOM 447 CD1 LEU A 57 -7.869 1.764 4.955 1.00 0.00 ATOM 448 CD2 LEU A 57 -8.806 3.584 6.403 1.00 0.00 ATOM 449 N PRO A 58 -13.518 2.714 6.246 1.00 0.00 ATOM 450 CA PRO A 58 -14.922 2.568 5.838 1.00 0.00 ATOM 451 C PRO A 58 -15.152 2.033 4.430 1.00 0.00 ATOM 452 O PRO A 58 -14.392 2.352 3.512 1.00 0.00 ATOM 453 CB PRO A 58 -15.466 3.998 5.978 1.00 0.00 ATOM 454 CG PRO A 58 -14.569 4.612 7.018 1.00 0.00 ATOM 455 CD PRO A 58 -13.221 4.116 6.581 1.00 0.00 ATOM 456 N GLY A 59 -16.188 1.207 4.273 1.00 0.00 ATOM 457 CA GLY A 59 -16.538 0.674 2.968 1.00 0.00 ATOM 458 C GLY A 59 -15.651 -0.430 2.449 1.00 0.00 ATOM 459 O GLY A 59 -15.702 -0.770 1.268 1.00 0.00 ATOM 460 N ARG A 60 -14.860 -1.013 3.339 1.00 0.00 ATOM 461 CA ARG A 60 -13.938 -2.072 2.967 1.00 0.00 ATOM 462 C ARG A 60 -13.843 -3.049 4.100 1.00 0.00 ATOM 463 O ARG A 60 -14.011 -2.674 5.247 1.00 0.00 ATOM 464 CB ARG A 60 -12.551 -1.477 2.704 1.00 0.00 ATOM 465 CG ARG A 60 -12.440 -0.769 1.375 1.00 0.00 ATOM 466 CD ARG A 60 -11.445 0.351 1.413 1.00 0.00 ATOM 467 NE ARG A 60 -11.917 1.462 2.234 1.00 0.00 ATOM 468 CZ ARG A 60 -11.303 2.637 2.340 1.00 0.00 ATOM 469 NH1 ARG A 60 -10.178 2.870 1.671 1.00 0.00 ATOM 470 NH2 ARG A 60 -11.817 3.574 3.122 1.00 0.00 ATOM 471 N ARG A 61 -13.609 -4.313 3.786 1.00 0.00 ATOM 472 CA ARG A 61 -13.460 -5.315 4.828 1.00 0.00 ATOM 473 C ARG A 61 -11.980 -5.276 5.234 1.00 0.00 ATOM 474 O ARG A 61 -11.101 -5.585 4.434 1.00 0.00 ATOM 475 CB ARG A 61 -13.856 -6.696 4.297 1.00 0.00 ATOM 476 CG ARG A 61 -13.758 -7.814 5.329 1.00 0.00 ATOM 477 CD ARG A 61 -14.137 -9.141 4.721 1.00 0.00 ATOM 478 NE ARG A 61 -14.057 -10.216 5.706 1.00 0.00 ATOM 479 CZ ARG A 61 -14.095 -11.514 5.414 1.00 0.00 ATOM 480 NH1 ARG A 61 -14.213 -11.916 4.156 1.00 0.00 ATOM 481 NH2 ARG A 61 -14.000 -12.418 6.383 1.00 0.00 ATOM 482 N ASN A 62 -11.709 -4.825 6.456 1.00 0.00 ATOM 483 CA ASN A 62 -10.345 -4.695 6.947 1.00 0.00 ATOM 484 C ASN A 62 -9.805 -5.974 7.522 1.00 0.00 ATOM 485 O ASN A 62 -10.383 -6.528 8.461 1.00 0.00 ATOM 486 CB ASN A 62 -10.275 -3.632 8.023 1.00 0.00 ATOM 487 CG ASN A 62 -10.497 -2.253 7.486 1.00 0.00 ATOM 488 OD1 ASN A 62 -11.431 -2.008 6.709 1.00 0.00 ATOM 489 ND2 ASN A 62 -9.667 -1.322 7.919 1.00 0.00 ATOM 490 N VAL A 63 -8.697 -6.450 6.962 1.00 0.00 ATOM 491 CA VAL A 63 -8.078 -7.681 7.446 1.00 0.00 ATOM 492 C VAL A 63 -6.675 -7.343 7.939 1.00 0.00 ATOM 493 O VAL A 63 -5.899 -6.733 7.214 1.00 0.00 ATOM 494 CB VAL A 63 -8.008 -8.772 6.342 1.00 0.00 ATOM 495 CG1 VAL A 63 -7.379 -10.058 6.901 1.00 0.00 ATOM 496 CG2 VAL A 63 -9.408 -9.082 5.804 1.00 0.00 ATOM 497 N VAL A 64 -6.374 -7.720 9.183 1.00 0.00 ATOM 498 CA VAL A 64 -5.079 -7.453 9.792 1.00 0.00 ATOM 499 C VAL A 64 -4.314 -8.740 10.085 1.00 0.00 ATOM 500 O VAL A 64 -4.818 -9.642 10.764 1.00 0.00 ATOM 501 CB VAL A 64 -5.248 -6.680 11.095 1.00 0.00 ATOM 502 CG1 VAL A 64 -3.896 -6.267 11.643 1.00 0.00 ATOM 503 CG2 VAL A 64 -6.118 -5.471 10.865 1.00 0.00 ATOM 504 N LEU A 65 -3.088 -8.814 9.576 1.00 0.00 ATOM 505 CA LEU A 65 -2.235 -9.976 9.750 1.00 0.00 ATOM 506 C LEU A 65 -1.404 -9.800 11.020 1.00 0.00 ATOM 507 O LEU A 65 -0.736 -8.778 11.183 1.00 0.00 ATOM 508 CB LEU A 65 -1.297 -10.071 8.552 1.00 0.00 ATOM 509 CG LEU A 65 -1.171 -11.348 7.738 1.00 0.00 ATOM 510 CD1 LEU A 65 0.089 -11.237 6.907 1.00 0.00 ATOM 511 CD2 LEU A 65 -1.058 -12.551 8.640 1.00 0.00 ATOM 512 N SER A 66 -1.443 -10.783 11.918 1.00 0.00 ATOM 513 CA SER A 66 -0.666 -10.726 13.156 1.00 0.00 ATOM 514 C SER A 66 -0.295 -12.122 13.638 1.00 0.00 ATOM 515 O SER A 66 -1.009 -13.086 13.377 1.00 0.00 ATOM 516 CB SER A 66 -1.451 -10.002 14.254 1.00 0.00 ATOM 517 OG SER A 66 -0.722 -9.979 15.473 1.00 0.00 ATOM 518 N ARG A 67 0.848 -12.245 14.300 1.00 0.00 ATOM 519 CA ARG A 67 1.250 -13.547 14.827 1.00 0.00 ATOM 520 C ARG A 67 0.671 -13.787 16.218 1.00 0.00 ATOM 521 O ARG A 67 0.778 -14.883 16.756 1.00 0.00 ATOM 522 CB ARG A 67 2.762 -13.694 14.858 1.00 0.00 ATOM 523 CG ARG A 67 3.361 -13.965 13.499 1.00 0.00 ATOM 524 CD ARG A 67 4.769 -14.535 13.631 1.00 0.00 ATOM 525 NE ARG A 67 5.415 -14.674 12.338 1.00 0.00 ATOM 526 CZ ARG A 67 5.989 -13.670 11.698 1.00 0.00 ATOM 527 NH1 ARG A 67 5.997 -12.459 12.240 1.00 0.00 ATOM 528 NH2 ARG A 67 6.532 -13.871 10.509 1.00 0.00 ATOM 529 N GLN A 68 0.096 -12.746 16.812 1.00 0.00 ATOM 530 CA GLN A 68 -0.523 -12.850 18.128 1.00 0.00 ATOM 531 C GLN A 68 -1.953 -13.346 17.908 1.00 0.00 ATOM 532 O GLN A 68 -2.752 -12.677 17.235 1.00 0.00 ATOM 533 CB GLN A 68 -0.576 -11.477 18.787 1.00 0.00 ATOM 534 CG GLN A 68 0.740 -10.734 18.790 1.00 0.00 ATOM 535 CD GLN A 68 0.580 -9.314 19.283 1.00 0.00 ATOM 536 OE1 GLN A 68 -0.143 -9.058 20.254 1.00 0.00 ATOM 537 NE2 GLN A 68 1.231 -8.375 18.605 1.00 0.00 ATOM 538 N ALA A 69 -2.282 -14.518 18.444 1.00 0.00 ATOM 539 CA ALA A 69 -3.633 -15.048 18.272 1.00 0.00 ATOM 540 C ALA A 69 -4.650 -14.208 19.042 1.00 0.00 ATOM 541 O ALA A 69 -5.828 -14.185 18.703 1.00 0.00 ATOM 542 CB ALA A 69 -3.694 -16.493 18.722 1.00 0.00 ATOM 543 N ASP A 70 -4.156 -13.463 20.027 1.00 0.00 ATOM 544 CA ASP A 70 -4.957 -12.602 20.899 1.00 0.00 ATOM 545 C ASP A 70 -5.062 -11.130 20.464 1.00 0.00 ATOM 546 O ASP A 70 -5.618 -10.317 21.204 1.00 0.00 ATOM 547 CB ASP A 70 -4.301 -12.595 22.278 1.00 0.00 ATOM 548 CG ASP A 70 -2.886 -11.993 22.239 1.00 0.00 ATOM 549 OD1 ASP A 70 -1.996 -12.610 21.596 1.00 0.00 ATOM 550 OD2 ASP A 70 -2.672 -10.889 22.809 1.00 0.00 ATOM 551 N PHE A 71 -4.484 -10.763 19.320 1.00 0.00 ATOM 552 CA PHE A 71 -4.517 -9.361 18.907 1.00 0.00 ATOM 553 C PHE A 71 -5.921 -8.788 18.767 1.00 0.00 ATOM 554 O PHE A 71 -6.803 -9.416 18.185 1.00 0.00 ATOM 555 CB PHE A 71 -3.692 -9.113 17.634 1.00 0.00 ATOM 556 CG PHE A 71 -3.423 -7.650 17.380 1.00 0.00 ATOM 557 CD1 PHE A 71 -2.673 -6.902 18.285 1.00 0.00 ATOM 558 CD2 PHE A 71 -3.980 -6.999 16.280 1.00 0.00 ATOM 559 CE1 PHE A 71 -2.489 -5.526 18.103 1.00 0.00 ATOM 560 CE2 PHE A 71 -3.803 -5.622 16.087 1.00 0.00 ATOM 561 CZ PHE A 71 -3.060 -4.886 17.000 1.00 0.00 ATOM 562 N MET A 72 -6.115 -7.596 19.332 1.00 0.00 ATOM 563 CA MET A 72 -7.402 -6.905 19.308 1.00 0.00 ATOM 564 C MET A 72 -7.413 -5.818 18.242 1.00 0.00 ATOM 565 O MET A 72 -6.597 -4.901 18.284 1.00 0.00 ATOM 566 CB MET A 72 -7.679 -6.246 20.670 1.00 0.00 ATOM 567 CG MET A 72 -7.254 -7.065 21.896 1.00 0.00 ATOM 568 SD MET A 72 -8.528 -8.140 22.645 1.00 0.00 ATOM 569 CE MET A 72 -8.880 -7.197 24.182 1.00 0.00 ATOM 570 N ALA A 73 -8.357 -5.901 17.309 1.00 0.00 ATOM 571 CA ALA A 73 -8.476 -4.908 16.247 1.00 0.00 ATOM 572 C ALA A 73 -9.953 -4.659 15.964 1.00 0.00 ATOM 573 O ALA A 73 -10.546 -5.334 15.137 1.00 0.00 ATOM 574 CB ALA A 73 -7.764 -5.397 14.986 1.00 0.00 ATOM 575 N SER A 74 -10.536 -3.677 16.646 1.00 0.00 ATOM 576 CA SER A 74 -11.952 -3.350 16.489 1.00 0.00 ATOM 577 C SER A 74 -12.408 -3.034 15.074 1.00 0.00 ATOM 578 O SER A 74 -11.904 -2.110 14.437 1.00 0.00 ATOM 579 CB SER A 74 -12.338 -2.195 17.415 1.00 0.00 ATOM 580 OG SER A 74 -12.160 -2.575 18.766 1.00 0.00 ATOM 581 N GLY A 75 -13.401 -3.781 14.605 1.00 0.00 ATOM 582 CA GLY A 75 -13.928 -3.561 13.270 1.00 0.00 ATOM 583 C GLY A 75 -13.099 -4.203 12.187 1.00 0.00 ATOM 584 O GLY A 75 -13.351 -3.987 11.009 1.00 0.00 ATOM 585 N ALA A 76 -12.100 -4.985 12.574 1.00 0.00 ATOM 586 CA ALA A 76 -11.255 -5.659 11.602 1.00 0.00 ATOM 587 C ALA A 76 -11.156 -7.136 11.898 1.00 0.00 ATOM 588 O ALA A 76 -11.456 -7.584 13.002 1.00 0.00 ATOM 589 CB ALA A 76 -9.874 -5.053 11.601 1.00 0.00 ATOM 590 N GLU A 77 -10.754 -7.895 10.889 1.00 0.00 ATOM 591 CA GLU A 77 -10.576 -9.328 11.025 1.00 0.00 ATOM 592 C GLU A 77 -9.089 -9.644 11.227 1.00 0.00 ATOM 593 O GLU A 77 -8.284 -9.400 10.337 1.00 0.00 ATOM 594 CB GLU A 77 -11.075 -10.031 9.761 1.00 0.00 ATOM 595 CG GLU A 77 -10.910 -11.532 9.809 1.00 0.00 ATOM 596 CD GLU A 77 -11.173 -12.201 8.489 1.00 0.00 ATOM 597 OE1 GLU A 77 -11.864 -13.240 8.480 1.00 0.00 ATOM 598 OE2 GLU A 77 -10.679 -11.698 7.459 1.00 0.00 ATOM 599 N VAL A 78 -8.727 -10.169 12.398 1.00 0.00 ATOM 600 CA VAL A 78 -7.336 -10.545 12.683 1.00 0.00 ATOM 601 C VAL A 78 -7.102 -11.997 12.277 1.00 0.00 ATOM 602 O VAL A 78 -7.868 -12.879 12.664 1.00 0.00 ATOM 603 CB VAL A 78 -6.974 -10.363 14.179 1.00 0.00 ATOM 604 CG1 VAL A 78 -5.564 -10.881 14.461 1.00 0.00 ATOM 605 CG2 VAL A 78 -7.055 -8.900 14.556 1.00 0.00 ATOM 606 N VAL A 79 -6.100 -12.217 11.423 1.00 0.00 ATOM 607 CA VAL A 79 -5.741 -13.550 10.951 1.00 0.00 ATOM 608 C VAL A 79 -4.259 -13.812 11.275 1.00 0.00 ATOM 609 O VAL A 79 -3.508 -12.875 11.535 1.00 0.00 ATOM 610 CB VAL A 79 -6.031 -13.718 9.430 1.00 0.00 ATOM 611 CG1 VAL A 79 -7.517 -13.536 9.164 1.00 0.00 ATOM 612 CG2 VAL A 79 -5.257 -12.709 8.616 1.00 0.00 ATOM 613 N GLY A 80 -3.850 -15.077 11.321 1.00 0.00 ATOM 614 CA GLY A 80 -2.464 -15.386 11.646 1.00 0.00 ATOM 615 C GLY A 80 -1.590 -15.801 10.478 1.00 0.00 ATOM 616 O GLY A 80 -0.383 -15.971 10.629 1.00 0.00 ATOM 617 N SER A 81 -2.181 -15.922 9.298 1.00 0.00 ATOM 618 CA SER A 81 -1.440 -16.337 8.120 1.00 0.00 ATOM 619 C SER A 81 -1.937 -15.606 6.890 1.00 0.00 ATOM 620 O SER A 81 -3.080 -15.138 6.856 1.00 0.00 ATOM 621 CB SER A 81 -1.613 -17.839 7.911 1.00 0.00 ATOM 622 OG SER A 81 -2.939 -18.151 7.497 1.00 0.00 ATOM 623 N LEU A 82 -1.098 -15.571 5.857 1.00 0.00 ATOM 624 CA LEU A 82 -1.438 -14.907 4.609 1.00 0.00 ATOM 625 C LEU A 82 -2.550 -15.645 3.878 1.00 0.00 ATOM 626 O LEU A 82 -3.398 -15.016 3.243 1.00 0.00 ATOM 627 CB LEU A 82 -0.217 -14.813 3.700 1.00 0.00 ATOM 628 CG LEU A 82 0.143 -13.496 3.001 1.00 0.00 ATOM 629 CD1 LEU A 82 0.510 -13.805 1.558 1.00 0.00 ATOM 630 CD2 LEU A 82 -0.985 -12.488 3.054 1.00 0.00 ATOM 631 N GLU A 83 -2.546 -16.973 3.965 1.00 0.00 ATOM 632 CA GLU A 83 -3.569 -17.786 3.304 1.00 0.00 ATOM 633 C GLU A 83 -4.973 -17.475 3.824 1.00 0.00 ATOM 634 O GLU A 83 -5.942 -17.546 3.077 1.00 0.00 ATOM 635 CB GLU A 83 -3.271 -19.283 3.458 1.00 0.00 ATOM 636 CG GLU A 83 -2.856 -19.700 4.872 1.00 0.00 ATOM 637 CD GLU A 83 -3.276 -21.131 5.243 1.00 0.00 ATOM 638 OE1 GLU A 83 -4.134 -21.708 4.526 1.00 0.00 ATOM 639 OE2 GLU A 83 -2.758 -21.669 6.259 1.00 0.00 ATOM 640 N GLU A 84 -5.075 -17.156 5.112 1.00 0.00 ATOM 641 CA GLU A 84 -6.358 -16.816 5.729 1.00 0.00 ATOM 642 C GLU A 84 -6.797 -15.392 5.350 1.00 0.00 ATOM 643 O GLU A 84 -7.980 -15.068 5.396 1.00 0.00 ATOM 644 CB GLU A 84 -6.267 -16.913 7.254 1.00 0.00 ATOM 645 CG GLU A 84 -6.098 -18.310 7.830 1.00 0.00 ATOM 646 CD GLU A 84 -5.602 -18.269 9.265 1.00 0.00 ATOM 647 OE1 GLU A 84 -6.149 -17.503 10.092 1.00 0.00 ATOM 648 OE2 GLU A 84 -4.637 -18.991 9.576 1.00 0.00 ATOM 649 N ALA A 85 -5.839 -14.545 4.991 1.00 0.00 ATOM 650 CA ALA A 85 -6.139 -13.168 4.618 1.00 0.00 ATOM 651 C ALA A 85 -6.518 -12.969 3.149 1.00 0.00 ATOM 652 O ALA A 85 -7.303 -12.087 2.829 1.00 0.00 ATOM 653 CB ALA A 85 -4.956 -12.282 4.972 1.00 0.00 ATOM 654 N LEU A 86 -5.994 -13.817 2.266 1.00 0.00 ATOM 655 CA LEU A 86 -6.232 -13.702 0.823 1.00 0.00 ATOM 656 C LEU A 86 -7.409 -14.446 0.199 1.00 0.00 ATOM 657 O LEU A 86 -7.500 -14.528 -1.027 1.00 0.00 ATOM 658 CB LEU A 86 -4.958 -14.093 0.079 1.00 0.00 ATOM 659 CG LEU A 86 -3.711 -13.324 0.510 1.00 0.00 ATOM 660 CD1 LEU A 86 -2.489 -13.923 -0.155 1.00 0.00 ATOM 661 CD2 LEU A 86 -3.849 -11.841 0.181 1.00 0.00 ATOM 662 N THR A 87 -8.341 -14.924 1.013 1.00 0.00 ATOM 663 CA THR A 87 -9.482 -15.685 0.496 1.00 0.00 ATOM 664 C THR A 87 -10.458 -14.963 -0.455 1.00 0.00 ATOM 665 O THR A 87 -11.192 -15.621 -1.196 1.00 0.00 ATOM 666 CB THR A 87 -10.261 -16.379 1.643 1.00 0.00 ATOM 667 OG1 THR A 87 -10.833 -15.388 2.498 1.00 0.00 ATOM 668 CG2 THR A 87 -9.328 -17.250 2.473 1.00 0.00 ATOM 669 N SER A 88 -10.469 -13.629 -0.460 1.00 0.00 ATOM 670 CA SER A 88 -11.369 -12.890 -1.358 1.00 0.00 ATOM 671 C SER A 88 -10.829 -12.829 -2.780 1.00 0.00 ATOM 672 O SER A 88 -9.619 -12.770 -2.989 1.00 0.00 ATOM 673 CB SER A 88 -11.582 -11.449 -0.879 1.00 0.00 ATOM 674 OG SER A 88 -12.191 -11.393 0.399 1.00 0.00 ATOM 675 N PRO A 89 -11.727 -12.838 -3.776 1.00 0.00 ATOM 676 CA PRO A 89 -11.437 -12.774 -5.217 1.00 0.00 ATOM 677 C PRO A 89 -10.666 -11.491 -5.598 1.00 0.00 ATOM 678 O PRO A 89 -9.812 -11.506 -6.489 1.00 0.00 ATOM 679 CB PRO A 89 -12.835 -12.798 -5.841 1.00 0.00 ATOM 680 CG PRO A 89 -13.581 -13.678 -4.903 1.00 0.00 ATOM 681 CD PRO A 89 -13.154 -13.133 -3.556 1.00 0.00 ATOM 682 N GLU A 90 -11.030 -10.367 -4.991 1.00 0.00 ATOM 683 CA GLU A 90 -10.314 -9.133 -5.244 1.00 0.00 ATOM 684 C GLU A 90 -9.851 -8.588 -3.895 1.00 0.00 ATOM 685 O GLU A 90 -10.646 -8.095 -3.098 1.00 0.00 ATOM 686 CB GLU A 90 -11.158 -8.111 -6.018 1.00 0.00 ATOM 687 CG GLU A 90 -10.470 -6.737 -6.112 1.00 0.00 ATOM 688 CD GLU A 90 -10.793 -5.940 -7.369 1.00 0.00 ATOM 689 OE1 GLU A 90 -10.209 -4.841 -7.532 1.00 0.00 ATOM 690 OE2 GLU A 90 -11.613 -6.404 -8.191 1.00 0.00 ATOM 691 N THR A 91 -8.562 -8.749 -3.620 1.00 0.00 ATOM 692 CA THR A 91 -7.987 -8.290 -2.363 1.00 0.00 ATOM 693 C THR A 91 -6.901 -7.250 -2.603 1.00 0.00 ATOM 694 O THR A 91 -6.103 -7.375 -3.525 1.00 0.00 ATOM 695 CB THR A 91 -7.353 -9.470 -1.583 1.00 0.00 ATOM 696 OG1 THR A 91 -8.350 -10.453 -1.285 1.00 0.00 ATOM 697 CG2 THR A 91 -6.709 -8.984 -0.290 1.00 0.00 ATOM 698 N TRP A 92 -6.887 -6.203 -1.798 1.00 0.00 ATOM 699 CA TRP A 92 -5.841 -5.209 -1.935 1.00 0.00 ATOM 700 C TRP A 92 -4.993 -5.189 -0.688 1.00 0.00 ATOM 701 O TRP A 92 -5.511 -5.080 0.428 1.00 0.00 ATOM 702 CB TRP A 92 -6.406 -3.819 -2.239 1.00 0.00 ATOM 703 CG TRP A 92 -6.840 -3.700 -3.688 1.00 0.00 ATOM 704 CD1 TRP A 92 -8.097 -3.925 -4.200 1.00 0.00 ATOM 705 CD2 TRP A 92 -5.997 -3.415 -4.813 1.00 0.00 ATOM 706 NE1 TRP A 92 -8.075 -3.807 -5.572 1.00 0.00 ATOM 707 CE2 TRP A 92 -6.801 -3.494 -5.971 1.00 0.00 ATOM 708 CE3 TRP A 92 -4.640 -3.109 -4.952 1.00 0.00 ATOM 709 CZ2 TRP A 92 -6.288 -3.275 -7.249 1.00 0.00 ATOM 710 CZ3 TRP A 92 -4.131 -2.895 -6.222 1.00 0.00 ATOM 711 CH2 TRP A 92 -4.953 -2.980 -7.353 1.00 0.00 ATOM 712 N VAL A 93 -3.696 -5.403 -0.880 1.00 0.00 ATOM 713 CA VAL A 93 -2.737 -5.390 0.215 1.00 0.00 ATOM 714 C VAL A 93 -2.320 -3.918 0.328 1.00 0.00 ATOM 715 O VAL A 93 -1.733 -3.341 -0.589 1.00 0.00 ATOM 716 CB VAL A 93 -1.543 -6.356 -0.088 1.00 0.00 ATOM 717 CG1 VAL A 93 -0.453 -6.231 0.981 1.00 0.00 ATOM 718 CG2 VAL A 93 -2.067 -7.819 -0.149 1.00 0.00 ATOM 719 N ILE A 94 -2.705 -3.297 1.434 1.00 0.00 ATOM 720 CA ILE A 94 -2.450 -1.881 1.632 1.00 0.00 ATOM 721 C ILE A 94 -1.280 -1.565 2.511 1.00 0.00 ATOM 722 O ILE A 94 -1.079 -0.421 2.920 1.00 0.00 ATOM 723 CB ILE A 94 -3.680 -1.159 2.190 1.00 0.00 ATOM 724 CG1 ILE A 94 -3.939 -1.571 3.636 1.00 0.00 ATOM 725 CG2 ILE A 94 -4.881 -1.488 1.344 1.00 0.00 ATOM 726 CD1 ILE A 94 -4.702 -0.520 4.417 1.00 0.00 ATOM 727 N GLY A 95 -0.506 -2.567 2.848 1.00 0.00 ATOM 728 CA GLY A 95 0.590 -2.201 3.664 1.00 0.00 ATOM 729 C GLY A 95 1.327 -3.110 4.559 1.00 0.00 ATOM 730 O GLY A 95 0.788 -3.999 5.215 1.00 0.00 ATOM 731 N GLY A 96 2.465 -2.477 4.818 1.00 0.00 ATOM 732 CA GLY A 96 3.544 -2.934 5.611 1.00 0.00 ATOM 733 C GLY A 96 4.637 -3.260 4.622 1.00 0.00 ATOM 734 O GLY A 96 4.343 -3.849 3.585 1.00 0.00 ATOM 735 N GLY A 97 5.862 -2.815 4.875 1.00 0.00 ATOM 736 CA GLY A 97 6.939 -3.206 3.996 1.00 0.00 ATOM 737 C GLY A 97 7.032 -4.728 4.096 1.00 0.00 ATOM 738 O GLY A 97 7.251 -5.417 3.097 1.00 0.00 ATOM 739 N GLN A 98 6.803 -5.276 5.286 1.00 0.00 ATOM 740 CA GLN A 98 6.843 -6.731 5.475 1.00 0.00 ATOM 741 C GLN A 98 5.736 -7.460 4.721 1.00 0.00 ATOM 742 O GLN A 98 5.980 -8.455 4.028 1.00 0.00 ATOM 743 CB GLN A 98 6.720 -7.107 6.947 1.00 0.00 ATOM 744 CG GLN A 98 7.919 -6.744 7.793 1.00 0.00 ATOM 745 CD GLN A 98 7.688 -7.009 9.261 1.00 0.00 ATOM 746 OE1 GLN A 98 7.983 -6.160 10.118 1.00 0.00 ATOM 747 NE2 GLN A 98 7.154 -8.189 9.569 1.00 0.00 ATOM 748 N VAL A 99 4.514 -6.979 4.871 1.00 0.00 ATOM 749 CA VAL A 99 3.395 -7.616 4.214 1.00 0.00 ATOM 750 C VAL A 99 3.432 -7.530 2.696 1.00 0.00 ATOM 751 O VAL A 99 2.984 -8.459 2.027 1.00 0.00 ATOM 752 CB VAL A 99 2.065 -7.123 4.799 1.00 0.00 ATOM 753 CG1 VAL A 99 0.892 -7.760 4.092 1.00 0.00 ATOM 754 CG2 VAL A 99 2.009 -7.497 6.266 1.00 0.00 ATOM 755 N TYR A 100 3.999 -6.461 2.141 1.00 0.00 ATOM 756 CA TYR A 100 4.101 -6.343 0.682 1.00 0.00 ATOM 757 C TYR A 100 5.042 -7.428 0.165 1.00 0.00 ATOM 758 O TYR A 100 4.808 -8.021 -0.890 1.00 0.00 ATOM 759 CB TYR A 100 4.669 -4.981 0.248 1.00 0.00 ATOM 760 CG TYR A 100 3.735 -3.785 0.367 1.00 0.00 ATOM 761 CD1 TYR A 100 4.187 -2.597 0.943 1.00 0.00 ATOM 762 CD2 TYR A 100 2.416 -3.836 -0.096 1.00 0.00 ATOM 763 CE1 TYR A 100 3.355 -1.488 1.058 1.00 0.00 ATOM 764 CE2 TYR A 100 1.576 -2.731 0.015 1.00 0.00 ATOM 765 CZ TYR A 100 2.060 -1.555 0.596 1.00 0.00 ATOM 766 OH TYR A 100 1.275 -0.423 0.714 1.00 0.00 ATOM 767 N ALA A 101 6.131 -7.657 0.895 1.00 0.00 ATOM 768 CA ALA A 101 7.120 -8.670 0.520 1.00 0.00 ATOM 769 C ALA A 101 6.498 -10.049 0.572 1.00 0.00 ATOM 770 O ALA A 101 6.722 -10.887 -0.299 1.00 0.00 ATOM 771 CB ALA A 101 8.287 -8.616 1.471 1.00 0.00 ATOM 772 N LEU A 102 5.715 -10.268 1.617 1.00 0.00 ATOM 773 CA LEU A 102 5.028 -11.521 1.854 1.00 0.00 ATOM 774 C LEU A 102 3.987 -11.820 0.768 1.00 0.00 ATOM 775 O LEU A 102 3.904 -12.945 0.259 1.00 0.00 ATOM 776 CB LEU A 102 4.338 -11.419 3.215 1.00 0.00 ATOM 777 CG LEU A 102 3.989 -12.625 4.091 1.00 0.00 ATOM 778 CD1 LEU A 102 5.269 -13.374 4.514 1.00 0.00 ATOM 779 CD2 LEU A 102 3.237 -12.115 5.335 1.00 0.00 ATOM 780 N ALA A 103 3.219 -10.800 0.390 1.00 0.00 ATOM 781 CA ALA A 103 2.151 -10.947 -0.595 1.00 0.00 ATOM 782 C ALA A 103 2.513 -10.774 -2.066 1.00 0.00 ATOM 783 O ALA A 103 1.741 -11.163 -2.933 1.00 0.00 ATOM 784 CB ALA A 103 1.011 -10.008 -0.236 1.00 0.00 ATOM 785 N LEU A 104 3.670 -10.189 -2.357 1.00 0.00 ATOM 786 CA LEU A 104 4.079 -9.957 -3.740 1.00 0.00 ATOM 787 C LEU A 104 3.924 -11.172 -4.652 1.00 0.00 ATOM 788 O LEU A 104 3.342 -11.054 -5.736 1.00 0.00 ATOM 789 CB LEU A 104 5.526 -9.475 -3.793 1.00 0.00 ATOM 790 CG LEU A 104 6.030 -8.441 -4.803 1.00 0.00 ATOM 791 CD1 LEU A 104 7.479 -8.762 -5.100 1.00 0.00 ATOM 792 CD2 LEU A 104 5.251 -8.430 -6.068 1.00 0.00 ATOM 793 N PRO A 105 4.418 -12.364 -4.229 1.00 0.00 ATOM 794 CA PRO A 105 4.253 -13.497 -5.148 1.00 0.00 ATOM 795 C PRO A 105 2.818 -13.896 -5.522 1.00 0.00 ATOM 796 O PRO A 105 2.592 -14.447 -6.584 1.00 0.00 ATOM 797 CB PRO A 105 5.071 -14.619 -4.491 1.00 0.00 ATOM 798 CG PRO A 105 5.286 -14.202 -3.104 1.00 0.00 ATOM 799 CD PRO A 105 5.311 -12.709 -3.106 1.00 0.00 ATOM 800 N TYR A 106 1.846 -13.533 -4.692 1.00 0.00 ATOM 801 CA TYR A 106 0.444 -13.847 -4.938 1.00 0.00 ATOM 802 C TYR A 106 -0.211 -12.772 -5.786 1.00 0.00 ATOM 803 O TYR A 106 -1.327 -12.951 -6.260 1.00 0.00 ATOM 804 CB TYR A 106 -0.313 -13.921 -3.609 1.00 0.00 ATOM 805 CG TYR A 106 0.192 -14.985 -2.686 1.00 0.00 ATOM 806 CD1 TYR A 106 1.329 -14.779 -1.894 1.00 0.00 ATOM 807 CD2 TYR A 106 -0.403 -16.245 -2.674 1.00 0.00 ATOM 808 CE1 TYR A 106 1.870 -15.828 -1.121 1.00 0.00 ATOM 809 CE2 TYR A 106 0.128 -17.292 -1.912 1.00 0.00 ATOM 810 CZ TYR A 106 1.263 -17.084 -1.149 1.00 0.00 ATOM 811 OH TYR A 106 1.816 -18.160 -0.486 1.00 0.00 ATOM 812 N ALA A 107 0.501 -11.667 -5.984 1.00 0.00 ATOM 813 CA ALA A 107 -0.020 -10.522 -6.724 1.00 0.00 ATOM 814 C ALA A 107 0.081 -10.514 -8.251 1.00 0.00 ATOM 815 O ALA A 107 1.050 -10.992 -8.828 1.00 0.00 ATOM 816 CB ALA A 107 0.604 -9.242 -6.167 1.00 0.00 ATOM 817 N THR A 108 -0.934 -9.936 -8.886 1.00 0.00 ATOM 818 CA THR A 108 -0.972 -9.789 -10.332 1.00 0.00 ATOM 819 C THR A 108 -1.245 -8.342 -10.703 1.00 0.00 ATOM 820 O THR A 108 -1.366 -8.020 -11.876 1.00 0.00 ATOM 821 CB THR A 108 -2.020 -10.685 -10.989 1.00 0.00 ATOM 822 OG1 THR A 108 -3.235 -10.632 -10.243 1.00 0.00 ATOM 823 CG2 THR A 108 -1.516 -12.129 -11.047 1.00 0.00 ATOM 824 N ARG A 109 -1.342 -7.471 -9.701 1.00 0.00 ATOM 825 CA ARG A 109 -1.564 -6.034 -9.912 1.00 0.00 ATOM 826 C ARG A 109 -0.864 -5.196 -8.845 1.00 0.00 ATOM 827 O ARG A 109 -0.805 -5.584 -7.677 1.00 0.00 ATOM 828 CB ARG A 109 -3.063 -5.674 -9.881 1.00 0.00 ATOM 829 CG ARG A 109 -3.816 -5.918 -11.163 1.00 0.00 ATOM 830 CD ARG A 109 -5.182 -5.266 -11.109 1.00 0.00 ATOM 831 NE ARG A 109 -5.137 -3.799 -11.111 1.00 0.00 ATOM 832 CZ ARG A 109 -6.198 -3.011 -10.913 1.00 0.00 ATOM 833 NH1 ARG A 109 -7.406 -3.532 -10.703 1.00 0.00 ATOM 834 NH2 ARG A 109 -6.042 -1.698 -10.848 1.00 0.00 ATOM 835 N CYS A 110 -0.318 -4.054 -9.260 1.00 0.00 ATOM 836 CA CYS A 110 0.324 -3.116 -8.344 1.00 0.00 ATOM 837 C CYS A 110 -0.106 -1.728 -8.763 1.00 0.00 ATOM 838 O CYS A 110 -0.067 -1.409 -9.940 1.00 0.00 ATOM 839 CB CYS A 110 1.845 -3.188 -8.421 1.00 0.00 ATOM 840 SG CYS A 110 2.590 -4.558 -7.552 1.00 0.00 ATOM 841 N GLU A 111 -0.565 -0.926 -7.810 1.00 0.00 ATOM 842 CA GLU A 111 -0.968 0.459 -8.070 1.00 0.00 ATOM 843 C GLU A 111 -0.006 1.265 -7.226 1.00 0.00 ATOM 844 O GLU A 111 -0.045 1.236 -5.995 1.00 0.00 ATOM 845 CB GLU A 111 -2.420 0.707 -7.663 1.00 0.00 ATOM 846 CG GLU A 111 -3.431 0.052 -8.596 1.00 0.00 ATOM 847 CD GLU A 111 -3.371 0.585 -10.039 1.00 0.00 ATOM 848 OE1 GLU A 111 -2.892 1.719 -10.252 1.00 0.00 ATOM 849 OE2 GLU A 111 -3.815 -0.132 -10.960 1.00 0.00 ATOM 850 N VAL A 112 0.886 1.964 -7.910 1.00 0.00 ATOM 851 CA VAL A 112 1.950 2.703 -7.257 1.00 0.00 ATOM 852 C VAL A 112 1.936 4.199 -7.480 1.00 0.00 ATOM 853 O VAL A 112 1.686 4.675 -8.588 1.00 0.00 ATOM 854 CB VAL A 112 3.320 2.173 -7.757 1.00 0.00 ATOM 855 CG1 VAL A 112 4.485 2.886 -7.050 1.00 0.00 ATOM 856 CG2 VAL A 112 3.397 0.645 -7.589 1.00 0.00 ATOM 857 N THR A 113 2.250 4.933 -6.421 1.00 0.00 ATOM 858 CA THR A 113 2.326 6.382 -6.494 1.00 0.00 ATOM 859 C THR A 113 3.775 6.733 -6.215 1.00 0.00 ATOM 860 O THR A 113 4.294 6.386 -5.157 1.00 0.00 ATOM 861 CB THR A 113 1.450 7.040 -5.415 1.00 0.00 ATOM 862 OG1 THR A 113 0.076 6.739 -5.670 1.00 0.00 ATOM 863 CG2 THR A 113 1.653 8.558 -5.396 1.00 0.00 ATOM 864 N GLU A 114 4.460 7.349 -7.178 1.00 0.00 ATOM 865 CA GLU A 114 5.842 7.752 -6.930 1.00 0.00 ATOM 866 C GLU A 114 5.846 9.221 -6.507 1.00 0.00 ATOM 867 O GLU A 114 5.254 10.064 -7.189 1.00 0.00 ATOM 868 CB GLU A 114 6.712 7.585 -8.166 1.00 0.00 ATOM 869 CG GLU A 114 8.168 7.951 -7.888 1.00 0.00 ATOM 870 CD GLU A 114 9.042 8.012 -9.134 1.00 0.00 ATOM 871 OE1 GLU A 114 8.547 7.750 -10.250 1.00 0.00 ATOM 872 OE2 GLU A 114 10.242 8.332 -8.995 1.00 0.00 ATOM 873 N VAL A 115 6.474 9.505 -5.365 1.00 0.00 ATOM 874 CA VAL A 115 6.584 10.855 -4.828 1.00 0.00 ATOM 875 C VAL A 115 8.000 11.383 -5.091 1.00 0.00 ATOM 876 O VAL A 115 8.995 10.803 -4.650 1.00 0.00 ATOM 877 CB VAL A 115 6.260 10.879 -3.330 1.00 0.00 ATOM 878 CG1 VAL A 115 6.280 12.310 -2.791 1.00 0.00 ATOM 879 CG2 VAL A 115 4.902 10.273 -3.105 1.00 0.00 ATOM 880 N ASP A 116 8.076 12.467 -5.858 1.00 0.00 ATOM 881 CA ASP A 116 9.348 13.079 -6.221 1.00 0.00 ATOM 882 C ASP A 116 9.914 13.906 -5.065 1.00 0.00 ATOM 883 O ASP A 116 9.948 15.137 -5.109 1.00 0.00 ATOM 884 CB ASP A 116 9.147 13.935 -7.472 1.00 0.00 ATOM 885 CG ASP A 116 10.450 14.425 -8.082 1.00 0.00 ATOM 886 OD1 ASP A 116 11.541 14.097 -7.581 1.00 0.00 ATOM 887 OD2 ASP A 116 10.378 15.162 -9.082 1.00 0.00 ATOM 888 N ILE A 117 10.376 13.207 -4.034 1.00 0.00 ATOM 889 CA ILE A 117 10.947 13.838 -2.850 1.00 0.00 ATOM 890 C ILE A 117 12.326 13.221 -2.584 1.00 0.00 ATOM 891 O ILE A 117 12.537 12.035 -2.846 1.00 0.00 ATOM 892 CB ILE A 117 10.022 13.615 -1.631 1.00 0.00 ATOM 893 CG1 ILE A 117 10.591 14.288 -0.386 1.00 0.00 ATOM 894 CG2 ILE A 117 9.804 12.105 -1.380 1.00 0.00 ATOM 895 CD1 ILE A 117 9.731 14.076 0.851 1.00 0.00 ATOM 896 N GLY A 118 13.274 14.044 -2.142 1.00 0.00 ATOM 897 CA GLY A 118 14.614 13.557 -1.840 1.00 0.00 ATOM 898 C GLY A 118 14.573 12.932 -0.468 1.00 0.00 ATOM 899 O GLY A 118 14.466 13.631 0.533 1.00 0.00 ATOM 900 N LEU A 119 14.680 11.611 -0.414 1.00 0.00 ATOM 901 CA LEU A 119 14.581 10.903 0.856 1.00 0.00 ATOM 902 C LEU A 119 15.355 9.590 0.793 1.00 0.00 ATOM 903 O LEU A 119 14.763 8.521 0.684 1.00 0.00 ATOM 904 CB LEU A 119 13.096 10.615 1.122 1.00 0.00 ATOM 905 CG LEU A 119 12.531 10.508 2.535 1.00 0.00 ATOM 906 CD1 LEU A 119 12.711 11.837 3.243 1.00 0.00 ATOM 907 CD2 LEU A 119 11.053 10.139 2.455 1.00 0.00 ATOM 908 N PRO A 120 16.693 9.657 0.840 1.00 0.00 ATOM 909 CA PRO A 120 17.548 8.461 0.788 1.00 0.00 ATOM 910 C PRO A 120 17.163 7.443 1.864 1.00 0.00 ATOM 911 O PRO A 120 16.686 7.823 2.940 1.00 0.00 ATOM 912 CB PRO A 120 18.941 9.040 1.040 1.00 0.00 ATOM 913 CG PRO A 120 18.851 10.414 0.431 1.00 0.00 ATOM 914 CD PRO A 120 17.504 10.885 0.924 1.00 0.00 ATOM 915 N ARG A 121 17.358 6.157 1.577 1.00 0.00 ATOM 916 CA ARG A 121 17.019 5.108 2.537 1.00 0.00 ATOM 917 C ARG A 121 17.898 5.226 3.759 1.00 0.00 ATOM 918 O ARG A 121 19.066 5.586 3.661 1.00 0.00 ATOM 919 CB ARG A 121 17.255 3.702 1.973 1.00 0.00 ATOM 920 CG ARG A 121 16.642 3.391 0.625 1.00 0.00 ATOM 921 CD ARG A 121 17.323 2.150 0.014 1.00 0.00 ATOM 922 NE ARG A 121 17.316 2.135 -1.453 1.00 0.00 ATOM 923 CZ ARG A 121 17.717 3.145 -2.236 1.00 0.00 ATOM 924 NH1 ARG A 121 18.167 4.289 -1.717 1.00 0.00 ATOM 925 NH2 ARG A 121 17.674 3.011 -3.558 1.00 0.00 ATOM 926 N GLU A 122 17.322 4.896 4.904 1.00 0.00 ATOM 927 CA GLU A 122 18.017 4.887 6.173 1.00 0.00 ATOM 928 C GLU A 122 17.719 3.524 6.771 1.00 0.00 ATOM 929 O GLU A 122 16.665 2.952 6.515 1.00 0.00 ATOM 930 CB GLU A 122 17.499 5.996 7.080 1.00 0.00 ATOM 931 CG GLU A 122 18.024 7.358 6.694 1.00 0.00 ATOM 932 CD GLU A 122 17.303 8.496 7.380 1.00 0.00 ATOM 933 OE1 GLU A 122 17.475 9.642 6.927 1.00 0.00 ATOM 934 OE2 GLU A 122 16.552 8.264 8.350 1.00 0.00 ATOM 935 N ALA A 123 18.659 2.988 7.539 1.00 0.00 ATOM 936 CA ALA A 123 18.494 1.682 8.160 1.00 0.00 ATOM 937 C ALA A 123 17.209 1.614 8.962 1.00 0.00 ATOM 938 O ALA A 123 16.914 2.516 9.738 1.00 0.00 ATOM 939 CB ALA A 123 19.660 1.393 9.060 1.00 0.00 ATOM 940 N GLY A 124 16.431 0.561 8.756 1.00 0.00 ATOM 941 CA GLY A 124 15.198 0.425 9.505 1.00 0.00 ATOM 942 C GLY A 124 13.936 0.962 8.866 1.00 0.00 ATOM 943 O GLY A 124 12.855 0.763 9.414 1.00 0.00 ATOM 944 N ASP A 125 14.056 1.632 7.721 1.00 0.00 ATOM 945 CA ASP A 125 12.905 2.200 7.006 1.00 0.00 ATOM 946 C ASP A 125 12.052 1.107 6.406 1.00 0.00 ATOM 947 O ASP A 125 12.560 0.040 6.085 1.00 0.00 ATOM 948 CB ASP A 125 13.369 3.032 5.802 1.00 0.00 ATOM 949 CG ASP A 125 13.855 4.413 6.174 1.00 0.00 ATOM 950 OD1 ASP A 125 13.781 4.828 7.345 1.00 0.00 ATOM 951 OD2 ASP A 125 14.319 5.093 5.250 1.00 0.00 ATOM 952 N ALA A 126 10.768 1.386 6.212 1.00 0.00 ATOM 953 CA ALA A 126 9.892 0.429 5.548 1.00 0.00 ATOM 954 C ALA A 126 10.125 0.742 4.061 1.00 0.00 ATOM 955 O ALA A 126 10.179 1.916 3.663 1.00 0.00 ATOM 956 CB ALA A 126 8.433 0.666 5.936 1.00 0.00 ATOM 957 N LEU A 127 10.343 -0.297 3.260 1.00 0.00 ATOM 958 CA LEU A 127 10.599 -0.117 1.842 1.00 0.00 ATOM 959 C LEU A 127 9.588 -0.810 0.976 1.00 0.00 ATOM 960 O LEU A 127 9.004 -1.815 1.354 1.00 0.00 ATOM 961 CB LEU A 127 11.983 -0.653 1.477 1.00 0.00 ATOM 962 CG LEU A 127 13.172 -0.072 2.242 1.00 0.00 ATOM 963 CD1 LEU A 127 14.415 -0.859 1.917 1.00 0.00 ATOM 964 CD2 LEU A 127 13.344 1.382 1.878 1.00 0.00 ATOM 965 N ALA A 128 9.429 -0.283 -0.226 1.00 0.00 ATOM 966 CA ALA A 128 8.505 -0.830 -1.206 1.00 0.00 ATOM 967 C ALA A 128 9.127 -2.073 -1.844 1.00 0.00 ATOM 968 O ALA A 128 10.356 -2.229 -1.851 1.00 0.00 ATOM 969 CB ALA A 128 8.241 0.212 -2.268 1.00 0.00 ATOM 970 N PRO A 129 8.292 -3.006 -2.333 1.00 0.00 ATOM 971 CA PRO A 129 8.858 -4.202 -2.959 1.00 0.00 ATOM 972 C PRO A 129 9.407 -3.832 -4.339 1.00 0.00 ATOM 973 O PRO A 129 8.961 -2.857 -4.947 1.00 0.00 ATOM 974 CB PRO A 129 7.649 -5.130 -3.055 1.00 0.00 ATOM 975 CG PRO A 129 6.516 -4.183 -3.247 1.00 0.00 ATOM 976 CD PRO A 129 6.823 -3.096 -2.252 1.00 0.00 ATOM 977 N VAL A 130 10.433 -4.552 -4.795 1.00 0.00 ATOM 978 CA VAL A 130 11.017 -4.279 -6.108 1.00 0.00 ATOM 979 C VAL A 130 10.292 -5.126 -7.140 1.00 0.00 ATOM 980 O VAL A 130 10.098 -6.319 -6.932 1.00 0.00 ATOM 981 CB VAL A 130 12.525 -4.613 -6.169 1.00 0.00 ATOM 982 CG1 VAL A 130 13.093 -4.182 -7.525 1.00 0.00 ATOM 983 CG2 VAL A 130 13.273 -3.896 -5.048 1.00 0.00 ATOM 984 N LEU A 131 9.849 -4.489 -8.219 1.00 0.00 ATOM 985 CA LEU A 131 9.134 -5.182 -9.277 1.00 0.00 ATOM 986 C LEU A 131 10.103 -5.605 -10.373 1.00 0.00 ATOM 987 O LEU A 131 10.759 -4.772 -11.000 1.00 0.00 ATOM 988 CB LEU A 131 8.019 -4.297 -9.842 1.00 0.00 ATOM 989 CG LEU A 131 7.028 -3.761 -8.800 1.00 0.00 ATOM 990 CD1 LEU A 131 5.901 -3.052 -9.496 1.00 0.00 ATOM 991 CD2 LEU A 131 6.488 -4.882 -7.946 1.00 0.00 ATOM 992 N ASP A 132 10.242 -6.914 -10.544 1.00 0.00 ATOM 993 CA ASP A 132 11.139 -7.447 -11.556 1.00 0.00 ATOM 994 C ASP A 132 10.514 -7.379 -12.950 1.00 0.00 ATOM 995 O ASP A 132 9.450 -6.783 -13.132 1.00 0.00 ATOM 996 CB ASP A 132 11.580 -8.867 -11.194 1.00 0.00 ATOM 997 CG ASP A 132 10.433 -9.865 -11.181 1.00 0.00 ATOM 998 OD1 ASP A 132 10.629 -10.970 -10.635 1.00 0.00 ATOM 999 OD2 ASP A 132 9.343 -9.576 -11.717 1.00 0.00 ATOM 1000 N GLU A 133 11.137 -8.042 -13.920 1.00 0.00 ATOM 1001 CA GLU A 133 10.622 -7.982 -15.272 1.00 0.00 ATOM 1002 C GLU A 133 9.421 -8.837 -15.618 1.00 0.00 ATOM 1003 O GLU A 133 9.065 -8.926 -16.783 1.00 0.00 ATOM 1004 CB GLU A 133 11.740 -8.134 -16.304 1.00 0.00 ATOM 1005 CG GLU A 133 11.960 -6.869 -17.171 1.00 0.00 ATOM 1006 CD GLU A 133 10.889 -6.672 -18.276 1.00 0.00 ATOM 1007 OE1 GLU A 133 9.817 -6.067 -17.993 1.00 0.00 ATOM 1008 OE2 GLU A 133 11.128 -7.114 -19.436 1.00 0.00 ATOM 1009 N THR A 134 8.775 -9.446 -14.623 1.00 0.00 ATOM 1010 CA THR A 134 7.565 -10.228 -14.898 1.00 0.00 ATOM 1011 C THR A 134 6.405 -9.236 -15.006 1.00 0.00 ATOM 1012 O THR A 134 5.350 -9.541 -15.569 1.00 0.00 ATOM 1013 CB THR A 134 7.241 -11.272 -13.784 1.00 0.00 ATOM 1014 OG1 THR A 134 7.174 -10.640 -12.496 1.00 0.00 ATOM 1015 CG2 THR A 134 8.288 -12.354 -13.756 1.00 0.00 ATOM 1016 N TRP A 135 6.651 -8.020 -14.516 1.00 0.00 ATOM 1017 CA TRP A 135 5.669 -6.943 -14.495 1.00 0.00 ATOM 1018 C TRP A 135 5.685 -6.022 -15.704 1.00 0.00 ATOM 1019 O TRP A 135 6.748 -5.619 -16.170 1.00 0.00 ATOM 1020 CB TRP A 135 5.891 -6.094 -13.247 1.00 0.00 ATOM 1021 CG TRP A 135 5.656 -6.832 -11.967 1.00 0.00 ATOM 1022 CD1 TRP A 135 6.596 -7.416 -11.167 1.00 0.00 ATOM 1023 CD2 TRP A 135 4.400 -7.011 -11.307 1.00 0.00 ATOM 1024 NE1 TRP A 135 6.003 -7.938 -10.044 1.00 0.00 ATOM 1025 CE2 TRP A 135 4.654 -7.701 -10.105 1.00 0.00 ATOM 1026 CE3 TRP A 135 3.080 -6.646 -11.611 1.00 0.00 ATOM 1027 CZ2 TRP A 135 3.639 -8.033 -9.205 1.00 0.00 ATOM 1028 CZ3 TRP A 135 2.074 -6.976 -10.716 1.00 0.00 ATOM 1029 CH2 TRP A 135 2.359 -7.663 -9.528 1.00 0.00 ATOM 1030 N ARG A 136 4.497 -5.675 -16.188 1.00 0.00 ATOM 1031 CA ARG A 136 4.332 -4.750 -17.309 1.00 0.00 ATOM 1032 C ARG A 136 3.676 -3.501 -16.722 1.00 0.00 ATOM 1033 O ARG A 136 2.680 -3.609 -16.004 1.00 0.00 ATOM 1034 CB ARG A 136 3.393 -5.332 -18.371 1.00 0.00 ATOM 1035 CG ARG A 136 3.955 -6.493 -19.180 1.00 0.00 ATOM 1036 CD ARG A 136 3.807 -7.829 -18.453 1.00 0.00 ATOM 1037 NE ARG A 136 2.405 -8.195 -18.226 1.00 0.00 ATOM 1038 CZ ARG A 136 1.722 -9.078 -18.959 1.00 0.00 ATOM 1039 NH1 ARG A 136 2.310 -9.695 -19.982 1.00 0.00 ATOM 1040 NH2 ARG A 136 0.455 -9.367 -18.652 1.00 0.00 ATOM 1041 N GLY A 137 4.192 -2.318 -17.032 1.00 0.00 ATOM 1042 CA GLY A 137 3.575 -1.127 -16.474 1.00 0.00 ATOM 1043 C GLY A 137 3.272 0.049 -17.386 1.00 0.00 ATOM 1044 O GLY A 137 3.739 0.110 -18.520 1.00 0.00 ATOM 1045 N GLU A 138 2.428 0.954 -16.892 1.00 0.00 ATOM 1046 CA GLU A 138 2.061 2.179 -17.603 1.00 0.00 ATOM 1047 C GLU A 138 2.295 3.306 -16.628 1.00 0.00 ATOM 1048 O GLU A 138 1.770 3.286 -15.521 1.00 0.00 ATOM 1049 CB GLU A 138 0.591 2.204 -18.014 1.00 0.00 ATOM 1050 CG GLU A 138 0.143 1.014 -18.794 1.00 0.00 ATOM 1051 CD GLU A 138 -0.638 0.069 -17.923 1.00 0.00 ATOM 1052 OE1 GLU A 138 -0.100 -1.010 -17.568 1.00 0.00 ATOM 1053 OE2 GLU A 138 -1.787 0.433 -17.571 1.00 0.00 ATOM 1054 N THR A 139 3.092 4.279 -17.051 1.00 0.00 ATOM 1055 CA THR A 139 3.432 5.435 -16.238 1.00 0.00 ATOM 1056 C THR A 139 2.562 6.631 -16.593 1.00 0.00 ATOM 1057 O THR A 139 2.492 7.021 -17.758 1.00 0.00 ATOM 1058 CB THR A 139 4.883 5.844 -16.474 1.00 0.00 ATOM 1059 OG1 THR A 139 5.706 4.672 -16.522 1.00 0.00 ATOM 1060 CG2 THR A 139 5.361 6.738 -15.355 1.00 0.00 ATOM 1061 N GLY A 140 1.903 7.203 -15.588 1.00 0.00 ATOM 1062 CA GLY A 140 1.067 8.368 -15.804 1.00 0.00 ATOM 1063 C GLY A 140 1.920 9.620 -15.839 1.00 0.00 ATOM 1064 O GLY A 140 3.127 9.553 -15.641 1.00 0.00 ATOM 1065 N GLU A 141 1.293 10.766 -16.070 1.00 0.00 ATOM 1066 CA GLU A 141 2.012 12.031 -16.141 1.00 0.00 ATOM 1067 C GLU A 141 2.264 12.626 -14.778 1.00 0.00 ATOM 1068 O GLU A 141 1.414 12.541 -13.901 1.00 0.00 ATOM 1069 CB GLU A 141 1.232 13.042 -16.983 1.00 0.00 ATOM 1070 CG GLU A 141 1.127 12.675 -18.468 1.00 0.00 ATOM 1071 CD GLU A 141 2.486 12.537 -19.158 1.00 0.00 ATOM 1072 OE1 GLU A 141 2.698 11.511 -19.846 1.00 0.00 ATOM 1073 OE2 GLU A 141 3.340 13.446 -19.019 1.00 0.00 ATOM 1074 N TRP A 142 3.437 13.226 -14.603 1.00 0.00 ATOM 1075 CA TRP A 142 3.771 13.864 -13.341 1.00 0.00 ATOM 1076 C TRP A 142 2.756 14.987 -13.098 1.00 0.00 ATOM 1077 O TRP A 142 2.270 15.606 -14.042 1.00 0.00 ATOM 1078 CB TRP A 142 5.178 14.463 -13.385 1.00 0.00 ATOM 1079 CG TRP A 142 6.325 13.494 -13.254 1.00 0.00 ATOM 1080 CD1 TRP A 142 7.202 13.135 -14.236 1.00 0.00 ATOM 1081 CD2 TRP A 142 6.801 12.862 -12.050 1.00 0.00 ATOM 1082 NE1 TRP A 142 8.201 12.332 -13.723 1.00 0.00 ATOM 1083 CE2 TRP A 142 7.978 12.150 -12.386 1.00 0.00 ATOM 1084 CE3 TRP A 142 6.354 12.839 -10.723 1.00 0.00 ATOM 1085 CZ2 TRP A 142 8.710 11.422 -11.444 1.00 0.00 ATOM 1086 CZ3 TRP A 142 7.082 12.116 -9.784 1.00 0.00 ATOM 1087 CH2 TRP A 142 8.248 11.416 -10.152 1.00 0.00 ATOM 1088 N ARG A 143 2.407 15.215 -11.839 1.00 0.00 ATOM 1089 CA ARG A 143 1.460 16.260 -11.473 1.00 0.00 ATOM 1090 C ARG A 143 2.019 16.926 -10.226 1.00 0.00 ATOM 1091 O ARG A 143 2.871 16.359 -9.549 1.00 0.00 ATOM 1092 CB ARG A 143 0.074 15.668 -11.142 1.00 0.00 ATOM 1093 CG ARG A 143 -0.463 14.584 -12.102 1.00 0.00 ATOM 1094 CD ARG A 143 -1.877 14.118 -11.684 1.00 0.00 ATOM 1095 NE ARG A 143 -2.332 12.898 -12.377 1.00 0.00 ATOM 1096 CZ ARG A 143 -3.182 11.997 -11.860 1.00 0.00 ATOM 1097 NH1 ARG A 143 -3.686 12.166 -10.635 1.00 0.00 ATOM 1098 NH2 ARG A 143 -3.542 10.923 -12.566 1.00 0.00 ATOM 1099 N PHE A 144 1.579 18.145 -9.940 1.00 0.00 ATOM 1100 CA PHE A 144 2.022 18.831 -8.733 1.00 0.00 ATOM 1101 C PHE A 144 0.923 18.777 -7.673 1.00 0.00 ATOM 1102 O PHE A 144 -0.218 19.157 -7.918 1.00 0.00 ATOM 1103 CB PHE A 144 2.374 20.311 -9.009 1.00 0.00 ATOM 1104 CG PHE A 144 3.851 20.572 -9.211 1.00 0.00 ATOM 1105 CD1 PHE A 144 4.348 20.885 -10.466 1.00 0.00 ATOM 1106 CD2 PHE A 144 4.735 20.516 -8.141 1.00 0.00 ATOM 1107 CE1 PHE A 144 5.696 21.137 -10.651 1.00 0.00 ATOM 1108 CE2 PHE A 144 6.087 20.767 -8.317 1.00 0.00 ATOM 1109 CZ PHE A 144 6.569 21.078 -9.575 1.00 0.00 ATOM 1110 N SER A 145 1.278 18.283 -6.498 1.00 0.00 ATOM 1111 CA SER A 145 0.366 18.213 -5.366 1.00 0.00 ATOM 1112 C SER A 145 0.286 19.615 -4.778 1.00 0.00 ATOM 1113 O SER A 145 1.195 20.421 -4.986 1.00 0.00 ATOM 1114 CB SER A 145 0.973 17.294 -4.317 1.00 0.00 ATOM 1115 OG SER A 145 0.492 17.604 -3.029 1.00 0.00 ATOM 1116 N ARG A 146 -0.762 19.921 -4.021 1.00 0.00 ATOM 1117 CA ARG A 146 -0.799 21.248 -3.427 1.00 0.00 ATOM 1118 C ARG A 146 0.220 21.336 -2.292 1.00 0.00 ATOM 1119 O ARG A 146 0.482 22.417 -1.779 1.00 0.00 ATOM 1120 CB ARG A 146 -2.193 21.651 -2.963 1.00 0.00 ATOM 1121 CG ARG A 146 -2.663 21.015 -1.707 1.00 0.00 ATOM 1122 CD ARG A 146 -4.070 20.505 -1.938 1.00 0.00 ATOM 1123 NE ARG A 146 -4.755 20.213 -0.684 1.00 0.00 ATOM 1124 CZ ARG A 146 -5.723 19.315 -0.550 1.00 0.00 ATOM 1125 NH1 ARG A 146 -6.134 18.594 -1.599 1.00 0.00 ATOM 1126 NH2 ARG A 146 -6.286 19.152 0.641 1.00 0.00 ATOM 1127 N SER A 147 0.806 20.202 -1.907 1.00 0.00 ATOM 1128 CA SER A 147 1.845 20.203 -0.873 1.00 0.00 ATOM 1129 C SER A 147 3.164 20.650 -1.551 1.00 0.00 ATOM 1130 O SER A 147 4.181 20.892 -0.889 1.00 0.00 ATOM 1131 CB SER A 147 2.008 18.810 -0.246 1.00 0.00 ATOM 1132 OG SER A 147 2.525 17.870 -1.180 1.00 0.00 ATOM 1133 N GLY A 148 3.128 20.769 -2.877 1.00 0.00 ATOM 1134 CA GLY A 148 4.297 21.190 -3.613 1.00 0.00 ATOM 1135 C GLY A 148 5.119 20.048 -4.153 1.00 0.00 ATOM 1136 O GLY A 148 6.060 20.269 -4.910 1.00 0.00 ATOM 1137 N LEU A 149 4.784 18.824 -3.766 1.00 0.00 ATOM 1138 CA LEU A 149 5.528 17.668 -4.241 1.00 0.00 ATOM 1139 C LEU A 149 4.998 17.202 -5.569 1.00 0.00 ATOM 1140 O LEU A 149 3.799 17.207 -5.810 1.00 0.00 ATOM 1141 CB LEU A 149 5.445 16.526 -3.233 1.00 0.00 ATOM 1142 CG LEU A 149 6.132 16.756 -1.895 1.00 0.00 ATOM 1143 CD1 LEU A 149 5.898 15.562 -1.020 1.00 0.00 ATOM 1144 CD2 LEU A 149 7.616 16.972 -2.084 1.00 0.00 ATOM 1145 N ARG A 150 5.905 16.830 -6.453 1.00 0.00 ATOM 1146 CA ARG A 150 5.514 16.318 -7.759 1.00 0.00 ATOM 1147 C ARG A 150 5.277 14.815 -7.539 1.00 0.00 ATOM 1148 O ARG A 150 5.957 14.198 -6.723 1.00 0.00 ATOM 1149 CB ARG A 150 6.665 16.550 -8.733 1.00 0.00 ATOM 1150 CG ARG A 150 6.272 16.927 -10.136 1.00 0.00 ATOM 1151 CD ARG A 150 7.485 17.466 -10.890 1.00 0.00 ATOM 1152 NE ARG A 150 8.546 16.467 -10.959 1.00 0.00 ATOM 1153 CZ ARG A 150 8.910 15.824 -12.063 1.00 0.00 ATOM 1154 NH1 ARG A 150 8.307 16.073 -13.218 1.00 0.00 ATOM 1155 NH2 ARG A 150 9.851 14.899 -12.000 1.00 0.00 ATOM 1156 N TYR A 151 4.285 14.236 -8.201 1.00 0.00 ATOM 1157 CA TYR A 151 4.018 12.810 -8.047 1.00 0.00 ATOM 1158 C TYR A 151 3.398 12.249 -9.316 1.00 0.00 ATOM 1159 O TYR A 151 2.906 13.002 -10.158 1.00 0.00 ATOM 1160 CB TYR A 151 3.069 12.552 -6.868 1.00 0.00 ATOM 1161 CG TYR A 151 1.659 13.033 -7.111 1.00 0.00 ATOM 1162 CD1 TYR A 151 0.682 12.173 -7.608 1.00 0.00 ATOM 1163 CD2 TYR A 151 1.309 14.368 -6.890 1.00 0.00 ATOM 1164 CE1 TYR A 151 -0.609 12.633 -7.887 1.00 0.00 ATOM 1165 CE2 TYR A 151 0.019 14.837 -7.165 1.00 0.00 ATOM 1166 CZ TYR A 151 -0.931 13.965 -7.665 1.00 0.00 ATOM 1167 OH TYR A 151 -2.195 14.430 -7.961 1.00 0.00 ATOM 1168 N ARG A 152 3.474 10.931 -9.471 1.00 0.00 ATOM 1169 CA ARG A 152 2.865 10.259 -10.606 1.00 0.00 ATOM 1170 C ARG A 152 2.418 8.866 -10.230 1.00 0.00 ATOM 1171 O ARG A 152 2.920 8.270 -9.286 1.00 0.00 ATOM 1172 CB ARG A 152 3.769 10.228 -11.833 1.00 0.00 ATOM 1173 CG ARG A 152 5.071 9.525 -11.670 1.00 0.00 ATOM 1174 CD ARG A 152 5.712 9.376 -13.022 1.00 0.00 ATOM 1175 NE ARG A 152 7.075 8.903 -12.881 1.00 0.00 ATOM 1176 CZ ARG A 152 7.970 8.871 -13.863 1.00 0.00 ATOM 1177 NH1 ARG A 152 7.640 9.280 -15.077 1.00 0.00 ATOM 1178 NH2 ARG A 152 9.217 8.491 -13.606 1.00 0.00 ATOM 1179 N LEU A 153 1.430 8.376 -10.964 1.00 0.00 ATOM 1180 CA LEU A 153 0.860 7.069 -10.718 1.00 0.00 ATOM 1181 C LEU A 153 1.334 6.056 -11.743 1.00 0.00 ATOM 1182 O LEU A 153 1.555 6.387 -12.906 1.00 0.00 ATOM 1183 CB LEU A 153 -0.668 7.153 -10.739 1.00 0.00 ATOM 1184 CG LEU A 153 -1.325 8.282 -9.924 1.00 0.00 ATOM 1185 CD1 LEU A 153 -2.852 8.179 -10.009 1.00 0.00 ATOM 1186 CD2 LEU A 153 -0.877 8.258 -8.477 1.00 0.00 ATOM 1187 N TYR A 154 1.539 4.829 -11.278 1.00 0.00 ATOM 1188 CA TYR A 154 1.967 3.710 -12.111 1.00 0.00 ATOM 1189 C TYR A 154 0.965 2.580 -11.938 1.00 0.00 ATOM 1190 O TYR A 154 0.433 2.366 -10.851 1.00 0.00 ATOM 1191 CB TYR A 154 3.305 3.163 -11.635 1.00 0.00 ATOM 1192 CG TYR A 154 4.537 3.955 -11.965 1.00 0.00 ATOM 1193 CD1 TYR A 154 4.975 4.978 -11.128 1.00 0.00 ATOM 1194 CD2 TYR A 154 5.339 3.596 -13.054 1.00 0.00 ATOM 1195 CE1 TYR A 154 6.191 5.617 -11.359 1.00 0.00 ATOM 1196 CE2 TYR A 154 6.545 4.224 -13.295 1.00 0.00 ATOM 1197 CZ TYR A 154 6.975 5.229 -12.446 1.00 0.00 ATOM 1198 OH TYR A 154 8.204 5.818 -12.655 1.00 0.00 ATOM 1199 N SER A 155 0.734 1.829 -13.003 1.00 0.00 ATOM 1200 CA SER A 155 -0.163 0.691 -12.954 1.00 0.00 ATOM 1201 C SER A 155 0.575 -0.478 -13.564 1.00 0.00 ATOM 1202 O SER A 155 1.016 -0.416 -14.711 1.00 0.00 ATOM 1203 CB SER A 155 -1.441 0.973 -13.724 1.00 0.00 ATOM 1204 OG SER A 155 -2.278 1.811 -12.958 1.00 0.00 ATOM 1205 N TYR A 156 0.773 -1.512 -12.756 1.00 0.00 ATOM 1206 CA TYR A 156 1.478 -2.701 -13.189 1.00 0.00 ATOM 1207 C TYR A 156 0.574 -3.894 -13.118 1.00 0.00 ATOM 1208 O TYR A 156 -0.313 -3.974 -12.265 1.00 0.00 ATOM 1209 CB TYR A 156 2.655 -2.988 -12.279 1.00 0.00 ATOM 1210 CG TYR A 156 3.749 -1.970 -12.293 1.00 0.00 ATOM 1211 CD1 TYR A 156 3.755 -0.923 -11.372 1.00 0.00 ATOM 1212 CD2 TYR A 156 4.827 -2.096 -13.166 1.00 0.00 ATOM 1213 CE1 TYR A 156 4.798 -0.038 -11.312 1.00 0.00 ATOM 1214 CE2 TYR A 156 5.883 -1.214 -13.114 1.00 0.00 ATOM 1215 CZ TYR A 156 5.863 -0.187 -12.182 1.00 0.00 ATOM 1216 OH TYR A 156 6.925 0.679 -12.091 1.00 0.00 ATOM 1217 N HIS A 157 0.865 -4.856 -13.984 1.00 0.00 ATOM 1218 CA HIS A 157 0.126 -6.102 -14.050 1.00 0.00 ATOM 1219 C HIS A 157 1.036 -7.207 -14.588 1.00 0.00 ATOM 1220 O HIS A 157 2.131 -6.954 -15.106 1.00 0.00 ATOM 1221 CB HIS A 157 -1.112 -5.951 -14.939 1.00 0.00 ATOM 1222 CG HIS A 157 -0.796 -5.532 -16.341 1.00 0.00 ATOM 1223 ND1 HIS A 157 -0.382 -4.254 -16.662 1.00 0.00 ATOM 1224 CD2 HIS A 157 -0.803 -6.229 -17.505 1.00 0.00 ATOM 1225 CE1 HIS A 157 -0.146 -4.184 -17.961 1.00 0.00 ATOM 1226 NE2 HIS A 157 -0.394 -5.368 -18.497 1.00 0.00 ATOM 1227 N ARG A 158 0.601 -8.438 -14.359 1.00 0.00 ATOM 1228 CA ARG A 158 1.283 -9.631 -14.822 1.00 0.00 ATOM 1229 C ARG A 158 0.252 -10.735 -14.697 1.00 0.00 ATOM 1230 O ARG A 158 -0.747 -10.579 -13.993 1.00 0.00 ATOM 1231 CB ARG A 158 2.541 -9.924 -14.001 1.00 0.00 ATOM 1232 CG ARG A 158 2.325 -10.464 -12.617 1.00 0.00 ATOM 1233 CD ARG A 158 3.664 -10.801 -11.994 1.00 0.00 ATOM 1234 NE ARG A 158 3.505 -11.145 -10.584 1.00 0.00 ATOM 1235 CZ ARG A 158 4.498 -11.450 -9.760 1.00 0.00 ATOM 1236 NH1 ARG A 158 5.749 -11.479 -10.194 1.00 0.00 ATOM 1237 NH2 ARG A 158 4.245 -11.665 -8.480 1.00 0.00 ATOM 1238 N SER A 159 0.433 -11.814 -15.442 1.00 0.00 ATOM 1239 CA SER A 159 -0.533 -12.901 -15.384 1.00 0.00 ATOM 1240 C SER A 159 -0.099 -14.117 -14.575 1.00 0.00 ATOM 1241 O SER A 159 -0.928 -15.051 -14.493 1.00 0.00 ATOM 1242 CB SER A 159 -0.960 -13.298 -16.792 1.00 0.00 ATOM 1243 OG SER A 159 -1.558 -12.189 -17.443 1.00 0.00 ATOM 1244 OXT SER A 159 1.011 -14.089 -13.973 1.00 0.00 TER 1245 SER A 159 MODEL 5 REMARK VINA RESULT: -6.5 4.393 7.399 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 -1.191 3.157 5.463 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -1.806 4.036 4.362 1.00 20.00 HETATM 3 C1 TOP A 201 -2.018 5.398 4.587 1.00 20.00 HETATM 4 N2 TOP A 201 -2.633 6.289 3.782 1.00 20.00 HETATM 5 C3 TOP A 201 -3.054 5.818 2.547 1.00 20.00 HETATM 6 N5 TOP A 201 -2.793 4.509 2.113 1.00 20.00 HETATM 7 C6 TOP A 201 -2.194 3.633 3.028 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 -3.740 6.673 1.701 1.00 20.00 HETATM 9 H41 TOP A 201 -3.802 7.659 1.793 1.00 20.00 HETATM 10 H42 TOP A 201 -4.235 6.331 0.875 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 -2.021 2.364 2.529 1.00 20.00 HETATM 12 H71 TOP A 201 -2.686 1.612 2.552 1.00 20.00 HETATM 13 H72 TOP A 201 -1.162 2.082 2.075 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 0.369 3.072 5.577 1.00 20.00 HETATM 15 C11 TOP A 201 1.030 2.895 6.810 1.00 20.00 HETATM 16 C12 TOP A 201 2.437 2.956 6.954 1.00 20.00 HETATM 17 C15 TOP A 201 3.250 3.009 5.782 1.00 20.00 HETATM 18 C18 TOP A 201 2.604 3.055 4.510 1.00 20.00 HETATM 19 C21 TOP A 201 1.192 3.103 4.438 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 3.014 2.739 8.200 1.00 20.00 HETATM 21 C14 TOP A 201 3.013 1.428 8.759 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 4.612 2.828 5.858 1.00 20.00 HETATM 23 C17 TOP A 201 5.111 1.497 5.838 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 3.351 2.959 3.347 1.00 20.00 HETATM 25 C20 TOP A 201 2.985 3.802 2.260 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL laila/./outfile-laila-1.pdb0000664000076600007660000000460612307606044015233 0ustar galaxygalaxyMODEL 2 REMARK VINA RESULT: -6.6 0.979 3.192 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 3.114 3.174 4.216 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 3.489 2.790 5.657 1.00 20.00 HETATM 3 C1 TOP A 201 3.988 3.756 6.534 1.00 20.00 HETATM 4 N2 TOP A 201 4.458 3.581 7.786 1.00 20.00 HETATM 5 C3 TOP A 201 4.380 2.294 8.300 1.00 20.00 HETATM 6 N5 TOP A 201 3.779 1.239 7.597 1.00 20.00 HETATM 7 C6 TOP A 201 3.361 1.494 6.284 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 4.898 2.042 9.559 1.00 20.00 HETATM 9 H41 TOP A 201 5.857 1.917 9.782 1.00 20.00 HETATM 10 H42 TOP A 201 4.300 1.985 10.385 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 2.827 0.390 5.662 1.00 20.00 HETATM 12 H71 TOP A 201 2.506 -0.453 6.103 1.00 20.00 HETATM 13 H72 TOP A 201 2.712 0.346 4.658 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 1.603 3.191 3.809 1.00 20.00 HETATM 15 C11 TOP A 201 0.562 3.273 4.758 1.00 20.00 HETATM 16 C12 TOP A 201 -0.807 3.149 4.424 1.00 20.00 HETATM 17 C15 TOP A 201 -1.184 3.130 3.047 1.00 20.00 HETATM 18 C18 TOP A 201 -0.153 3.180 2.061 1.00 20.00 HETATM 19 C21 TOP A 201 1.204 3.192 2.460 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 -1.775 3.274 5.415 1.00 20.00 HETATM 21 C14 TOP A 201 -1.590 4.220 6.465 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 -2.502 3.252 2.673 1.00 20.00 HETATM 23 C17 TOP A 201 -3.082 4.551 2.685 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 -0.478 3.312 0.721 1.00 20.00 HETATM 25 C20 TOP A 201 -0.410 4.615 0.152 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL laila/./ligand-laila-normal.pdbqt0000664000076600007660000000521012307605612016507 0ustar galaxygalaxyREMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 1.368 0.891 -1.239 1.00 20.00 0.082 C ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 0.945 -0.231 -2.201 1.00 20.00 0.010 A HETATM 3 C1 TOP A 201 -0.342 -0.769 -2.130 1.00 20.00 0.147 A HETATM 4 N2 TOP A 201 -0.847 -1.814 -2.817 1.00 20.00 -0.075 NA HETATM 5 C3 TOP A 201 -0.011 -2.393 -3.762 1.00 20.00 0.721 A HETATM 6 N5 TOP A 201 1.263 -1.883 -4.052 1.00 20.00 -0.045 NA HETATM 7 C6 TOP A 201 1.731 -0.827 -3.258 1.00 20.00 0.148 A BRANCH 5 8 HETATM 8 N4 TOP A 201 -0.455 -3.504 -4.459 1.00 20.00 -0.231 N HETATM 9 H41 TOP A 201 -0.001 -3.927 -5.234 1.00 20.00 0.174 HD HETATM 10 H42 TOP A 201 -1.310 -3.998 -4.197 1.00 20.00 0.174 HD ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 3.004 -0.426 -3.587 1.00 20.00 -0.383 N HETATM 12 H71 TOP A 201 3.603 -0.833 -4.283 1.00 20.00 0.157 HD HETATM 13 H72 TOP A 201 3.455 0.353 -3.125 1.00 20.00 0.157 HD ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 0.684 0.977 0.167 1.00 20.00 -0.048 C HETATM 15 C11 TOP A 201 1.180 0.290 1.295 1.00 20.00 0.047 C HETATM 16 C12 TOP A 201 0.502 0.241 2.536 1.00 20.00 0.104 C HETATM 17 C15 TOP A 201 -0.641 1.073 2.733 1.00 20.00 0.135 C HETATM 18 C18 TOP A 201 -1.086 1.882 1.644 1.00 20.00 0.104 C HETATM 19 C21 TOP A 201 -0.431 1.803 0.393 1.00 20.00 0.047 C BRANCH 16 20 HETATM 20 O13 TOP A 201 1.074 -0.432 3.610 1.00 20.00 -0.353 OA HETATM 21 C14 TOP A 201 0.929 -1.846 3.714 1.00 20.00 0.210 C ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 -1.186 1.241 3.985 1.00 20.00 -0.351 OA HETATM 23 C17 TOP A 201 -2.239 0.370 4.377 1.00 20.00 0.210 C ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 -2.097 2.810 1.835 1.00 20.00 -0.353 OA HETATM 25 C20 TOP A 201 -3.355 2.547 1.223 1.00 20.00 0.210 C ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 laila/./ligand-laila-opt.pickle0000664000076600007660000047763712307605610016206 0ustar galaxygalaxyccopy_reg _reconstructor p1 (celbow.chemistry.MoleculeClass MoleculeClass p2 c__builtin__ list p3 (lp4 (ielbow.chemistry.AtomClass AtomClass p5 (dp6 S'tempFactor' p7 F20 sS'input_serial' p8 S' 1' p9 sS'pi_electrons' p10 (I1 tp11 sS'starting_xyz' p12 (ielbow.chemistry.xyzClass xyzClass p13 (dp14 S'dotProduct' p15 I1 sS'angleScale' p16 F57.295779513082323 sS'y' F0 sS'x' F0 sS'xyz' p17 (F0 F0 F0 tp18 sS'z' F0 sbsg17 (ielbow.chemistry.xyzClass xyzClass p19 (dp20 g15 I1 sg16 F57.295779513082323 sS'y' F-0.76865551144749455 sS'x' F-0.34246212146093968 sg17 (F-0.34246212146093968 F-0.76865551144749455 F-2.1303718402949592 tp21 sS'z' F-2.1303718402949592 sbsS'altLoc' p22 S' ' sS'number' p23 I6 sS'sign' p24 S'' sS'ring_id' p25 I0 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F0.97683640729209187 sS'x' F0.68433269246207584 sS'z' F0.16700070544301648 sg121 I10 sg157 S'' sg74 I9 sba(ielbow.chemistry.AtomClass AtomClass p706 (dp707 g7 F20 sg26 I79598368 sg10 Nsg12 (ielbow.chemistry.xyzClass xyzClass p708 (dp709 g15 I0 sg16 F57.295779513082323 sS'y' F-0.85763593428471896 sS'x' F-2.4697586860265801 sg17 (F-2.4697586860265801 F-0.85763593428471896 F1.7844542253132454 tp710 sS'z' F1.7844542253132454 sbsg17 (ielbow.chemistry.xyzClass xyzClass p711 (dp712 g15 I1 sg16 F57.295779513082323 sS'y' F0.86684136615447804 sS'x' F2.4721463137496116 sg17 (F2.4721463137496116 F0.86684136615447804 F-1.110668573046901 tp713 sS'z' F-1.110668573046901 sbsg22 S' ' sg23 I1 sg24 S'' sg25 (lp714 sg27 I27 sg74 I26 sg30 S'TOP' p715 sg90 g91 sg33 S' 27' p716 sg36 I79598368 sg37 (lp717 g247 asg94 I27 sg95 Nsg96 I01 sg97 F1 sg98 I0 sg99 I27 sg100 S'TOP:201:A:' p718 sg102 S'TOP:201:A:' p719 sg104 (lp720 sg106 S'A' sg76 S' H91' p721 sg108 I26 sg109 S'H' sg110 g111 sg112 g721 sg113 F0.044738013917898001 sg114 S'HCH2' p722 sg116 g711 sg117 g721 sg118 S'' sg119 g120 sg121 I27 sg122 S'H' sg123 S' ' sg124 F1.0079 sS'y' F0.86684136615447804 sS'x' F2.4721463137496116 sS'z' F-1.110668573046901 sba(ielbow.chemistry.AtomClass AtomClass p723 (dp724 g7 F20 sg26 I79600816 sg10 Nsg12 (ielbow.chemistry.xyzClass xyzClass p725 (dp726 g15 I0 sg16 F57.295779513082323 sS'y' F0.73467017333681339 sS'x' F-2.5346335316664517 sg17 (F-2.5346335316664517 F0.73467017333681339 F1.749778623194159 tp727 sS'z' F1.749778623194159 sbsg17 (ielbow.chemistry.xyzClass xyzClass p728 (dp729 g15 I1 sg16 F57.295779513082323 sS'y' F1.8852241200207041 sS'x' F1.2962660286939116 sg17 (F1.2962660286939116 F1.8852241200207041 F-1.7565574135563895 tp730 sS'z' F-1.7565574135563895 sbsg22 S' ' sg23 I1 sg24 S'' sg25 (lp731 sg27 I28 sg74 I27 sg30 S'TOP' p732 sg90 g91 sg33 S' 28' p733 sg36 I79600816 sg37 (lp734 g247 asg94 I28 sg95 Nsg96 I01 sg97 F1 sg98 I0 sg99 I28 sg100 S'TOP:201:A:' p735 sg102 S'TOP:201:A:' p736 sg104 (lp737 sg106 S'A' sg76 S' H92' p738 sg108 I27 sg109 S'H' sg110 g111 sg112 g738 sg113 F0.053114941798537152 sg114 g722 sg116 g728 sg117 g738 sg118 S'' sg119 g120 sg121 I28 sg122 S'H' sg123 S' ' sg124 F1.0079 sS'y' F1.8852241200207041 sS'x' F1.2962660286939116 sS'z' F-1.7565574135563895 sbasg141 (ielbow.chemistry.xyzClass xyzClass p739 (dp740 g15 I1 sg16 F57.295779513082323 sS'y' F-1.8220000000000001 sS'x' F0.13100000000000001 sg17 (F0.13100000000000001 F-1.8220000000000001 F-0.38300000000000001 tp741 sS'z' F-0.38300000000000001 sbsg94 I9 sg95 Nsg145 g739 sg96 I01 sg97 F1 sg98 I0 sg99 I9 sg146 S'' sg100 S'TOP:201:A:' p742 sg102 S'TOP:201:A:' p743 sg104 (lp744 sg106 S'A' sg90 g91 sg108 I8 sg109 S'C' sg150 g257 sg110 g111 sg151 S' 9' p745 sg112 S' C9 ' p746 sg113 F0.035824236831895728 sg114 S'CH2' p747 sg116 g252 sg117 g746 sg155 g739 sg118 S'' sg119 g120 sg121 I9 sg8 g745 sg122 S'C' sg123 S' ' sg124 F12.010999999999999 sg156 S'' sS'y' F0.89069031521630482 sS'x' F1.3681371132738198 sS'z' F-1.2392038398211798 sg157 S'' sbasg141 (ielbow.chemistry.xyzClass xyzClass p748 (dp749 g15 I1 sg16 F57.295779513082323 sS'y' F-1.2290000000000001 sS'x' F0.41999999999999998 sg17 (F0.41999999999999998 F-1.2290000000000001 F-1.7589999999999999 tp750 sS'z' F-1.7589999999999999 sbsg94 I8 sg95 Nsg145 g748 sg96 I01 sg97 F1 sg98 I0 sg99 I8 sg146 S'' sg100 S'TOP:201:A:' p751 sg102 S'TOP:201:A:' p752 sg104 (lp753 sg106 S'A' sg76 S' C8 ' p754 sg630 (lp755 I0 asg108 I7 sg632 I01 sg90 g91 sg109 S'C' sg150 g754 sg110 g111 sg151 g237 sg112 S' C8 ' p756 sg113 F-0.37348781731601477 sg114 g648 sg116 g241 sg117 g756 sg155 g748 sg118 S'' sg119 g120 sg635 (lp757 g170 ag5 asg637 I1 sg638 I1 sg122 S'C' sg123 S' ' sg124 F12.010999999999999 sg156 S'' sS'y' F-0.23100788985378917 sS'x' F0.94514800621600803 sS'z' F-2.2007658534085959 sg121 I8 sg157 S'' sg74 I7 sbasg141 (ielbow.chemistry.xyzClass xyzClass p758 (dp759 g15 I1 sg16 F57.295779513082323 sS'y' F-2.1280000000000001 sS'x' F0.80200000000000005 sg17 (F0.80200000000000005 F-2.1280000000000001 F-2.9220000000000002 tp760 sS'z' F-2.9220000000000002 sbsg94 I6 sg95 Nsg145 g758 sg96 I01 sg97 F1 sg98 I0 sg99 I6 sg146 S'' sg100 S'TOP:201:A:' p761 sg102 S'TOP:201:A:' p762 sg104 (lp763 sg106 S'A' sg76 S' C6 ' p764 sg630 (lp765 I0 asg108 I5 sg632 I01 sg90 g91 sg109 S'C' sg150 g764 sg110 g111 sg151 g172 sg112 S' C6 ' p766 sg113 F0.38124176524779418 sg114 g648 sg116 g176 sg117 g766 sg155 g758 sg118 S'' sg119 g120 sg635 (lp767 g158 ag235 asg637 I0 sg638 I1 sg122 S'C' sg123 S' ' sg124 F12.010999999999999 sg156 S'' sS'y' F-0.82684356860979524 sS'x' F1.7313178164440088 sS'z' F-3.2578434660955793 sg121 I6 sg157 S'' sg74 I5 sbasg141 (ielbow.chemistry.xyzClass xyzClass p768 (dp769 g15 I1 sg16 F57.295779513082323 sS'y' F-1.595 sS'x' F1.0449999999999999 sg17 (F1.0449999999999999 F-1.595 F-4.1219999999999999 tp770 sS'z' F-4.1219999999999999 sbsg94 I5 sg95 Nsg145 g768 sg96 I01 sg97 F1 sg98 I0 sg99 I5 sg146 S'' sg100 S'TOP:201:A:' p771 sg102 S'TOP:201:A:' p772 sg104 (lp773 sg106 S'A' sg76 S' N5 ' p774 sg630 (lp775 I0 asg108 I4 sg632 I01 sg90 g91 sg109 S'N' sg150 g774 sg110 g111 sg151 g160 sg112 S' N5 ' p776 sg113 F-0.46894737198016045 sg114 S'N' sg116 g164 sg117 g776 sg155 g768 sg118 S'' sg119 g120 sg635 (lp777 g52 ag170 asg637 I1 sg638 I1 sg122 S'N' sg123 S' ' sg124 F14.0067 sg156 S'' sS'y' F-1.8832937794654265 sS'x' F1.2627309569779686 sS'z' F-4.0521935553883637 sg121 I5 sg157 S'' sg74 I4 sbasg141 (ielbow.chemistry.xyzClass xyzClass p778 (dp779 g15 I1 sg16 F57.295779513082323 sS'y' F-0.23999999999999999 sS'x' F0.92200000000000004 sg17 (F0.92200000000000004 F-0.23999999999999999 F-4.1790000000000003 tp780 sS'z' F-4.1790000000000003 sbsg94 I3 sg95 Nsg145 g778 sg96 I01 sg97 F1 sg98 I0 sg99 I3 sg146 S'' sg100 S'TOP:201:A:' p781 sg102 S'TOP:201:A:' p782 sg104 (lp783 sg106 S'A' sg76 S' C3 ' p784 sg630 (lp785 I0 asg108 I2 sg632 I01 sg90 g91 sg109 S'C' sg150 g784 sg110 g111 sg151 g54 sg112 S' C3 ' p786 sg113 F0.3911627738930572 sg114 g648 sg116 g58 sg117 g786 sg155 g778 sg118 S'' sg119 g120 sg635 (lp787 g39 ag158 asg637 I0 sg638 I1 sg122 S'C' sg123 S' ' sg124 F12.010999999999999 sg156 S'' sS'y' F-2.3928372975725076 sS'x' F-0.010545829573723853 sS'z' F-3.7622186884776418 sg121 I3 sg157 S'' sg74 I2 sbasg141 (ielbow.chemistry.xyzClass xyzClass p788 (dp789 g15 I1 sg16 F57.295779513082323 sS'y' F0.60699999999999998 sS'x' F0.60499999999999998 sg17 (F0.60499999999999998 F0.60699999999999998 F-3.2200000000000002 tp790 sS'z' F-3.2200000000000002 sbsg94 I2 sg95 Nsg145 g788 sg96 I01 sg97 F1 sg98 I0 sg99 I2 sg146 S'' sg100 S'TOP:201:A:' p791 sg102 S'TOP:201:A:' p792 sg104 (lp793 sg106 S'A' sg76 S' N2 ' p794 sg630 (lp795 I0 asg108 I1 sg632 I01 sg90 g91 sg109 S'N' sg150 g794 sg110 g111 sg151 g41 sg112 S' N2 ' p796 sg113 F-0.41701758715693504 sg114 S'N' sg116 g46 sg117 g796 sg155 g788 sg118 S'' sg119 g120 sg635 (lp797 g5 ag52 asg637 I1 sg638 I1 sg122 S'N' sg123 S' ' sg124 F14.0067 sg156 S'' sS'y' F-1.8138009308876955 sS'x' F-0.84709422231217268 sS'z' F-2.8166557592588255 sg121 I2 sg157 S'' sg74 I1 sbag235 a(ielbow.chemistry.AtomClass AtomClass p798 (dp799 g7 F20 sg26 I64871456 sg10 Nsg12 (ielbow.chemistry.xyzClass xyzClass p800 (dp801 g15 I0 sg16 F57.295779513082323 sS'y' F2.0806866315613647e-05 sS'x' F-0.49402823866412737 sg17 (F-0.49402823866412737 F2.0806866315613647e-05 F-0.84189973274404495 tp802 sS'z' F-0.84189973274404495 sbsg17 (ielbow.chemistry.xyzClass xyzClass p803 (dp804 g15 I1 sg16 F57.295779513082323 sS'y' F-0.30493028193656913 sS'x' F-1.086169250344065 sg17 (F-1.086169250344065 F-0.30493028193656913 F-1.4643862908875729 tp805 sS'z' F-1.4643862908875729 sbsg22 S' ' sg23 I1 sg24 S'' sg25 (lp806 sg27 I22 sg74 I21 sg30 S'TOP' p807 sg90 g91 sg33 S' 22' p808 sg36 I64871456 sg37 (lp809 g5 asg94 I22 sg95 Nsg96 I01 sg97 F1 sg98 I0 sg99 I22 sg100 S'TOP:201:A:' p810 sg102 S'TOP:201:A:' p811 sg104 (lp812 sg106 S'A' sg76 S' H11' p813 sg108 I21 sg109 S'H' sg110 g111 sg112 g813 sg113 F0.12033816254458962 sg114 g622 sg116 g803 sg117 g813 sg118 S'' sg119 g120 sg121 I22 sg122 S'H' sg123 S' ' sg124 F1.0079 sS'y' F-0.30493028193656913 sS'x' F-1.086169250344065 sS'z' F-1.4643862908875729 sbasg141 (ielbow.chemistry.xyzClass xyzClass p814 (dp815 g15 I1 sg16 F57.295779513082323 sS'y' F0.124 sS'x' F0.34799999999999998 sg17 (F0.34799999999999998 F0.124 F-1.984 tp816 sS'z' F-1.984 sbsg94 I1 sg95 Nsg145 g814 sg96 I01 sg97 F1 sg98 I0 sg99 I1 sg146 S'' sg100 S'TOP:201:A:' p817 sg102 S'TOP:201:A:' p818 sg104 (lp819 sg106 S'A' sg76 S' C1 ' p820 sg630 (lp821 I0 asg108 I0 sg632 I01 sg90 g91 sg109 S'C' sg150 g820 sg110 g111 sg151 g9 sg112 S' C1 ' p822 sg113 F0.17167213074046561 sg114 g634 sg116 g19 sg117 g822 sg155 g814 sg118 S'' sg119 g120 sg635 (lp823 g235 ag39 asg637 I0 sg638 I1 sg122 S'C' sg123 S' ' sg124 F12.010999999999999 sg156 S'' sS'y' F-0.76865551144749455 sS'x' F-0.34246212146093968 sS'z' F-2.1303718402949592 sg121 I1 sg157 S'' sg74 I0 sbag39 ag52 ag64 ag158 ag170 ag182 ag235 ag247 ag260 ag272 ag284 ag296 ag310 ag390 ag402 ag415 ag492 ag504 ag517 ag594 ag798 ag80 ag125 ag195 ag211 ag706 ag723 ag670 ag323 ag340 ag356 ag428 ag444 ag460 ag530 ag546 ag562 ag606 atRp824 (dp825 S'grad_count' p826 I12 sS'CIF_id' p827 S'TOP' p828 sS'chiral_restraint' p829 (dp830 sS'link_bonds' p831 (lp832 sS'OutputHeaderData' p833 (dp834 S'opt' p835 I01 sS'qm_method' p836 S'AM1' p837 sS'random_seed' p838 S'3628800' p839 sS'qm_basis' p840 g837 sS'file' p841 S'ligand-laila-normal.pdb' p842 ssS'crystal_symmetry' p843 NsS'optimised_energy' p844 F-228.4546546266356 sS'chiral_class' p845 (dp846 sS'invisible_plane' p847 g1 (celbow.chemistry.PeptideClass PeptideClass p848 g3 (ltRp849 (dp850 S'restraint_class' p851 g1 (celbow.cctbx_api.RestraintClass RestraintClass p852 c__builtin__ dict p853 (dtRp854 (dp855 S'type' p856 NsS'link' p857 (dp858 sS'overwrite' p859 I00 sS'hydrogens' p860 (lp861 sS'restraint_type' p862 (dp863 sbsbsS'external_convalent_bonds' p864 (lp865 sS'CIF_name' p866 S'Unknown' p867 sS'CIF_three_letter_code' p868 S'TOP' p869 sS'RotationSubUnits' p870 (dp871 (I8 I9 tp872 (lp873 (ielbow.utilities.sets Set p874 (dp875 S'dict' p876 (dp877 g39 I1 sg182 I1 sg195 I1 sg80 I1 sg64 I1 sg5 I1 sg211 I1 sg158 I1 sg52 I1 sg125 I1 sg170 I1 sg798 I1 ssba(ielbow.utilities.sets Set p878 (dp879 g876 (dp880 g323 I1 sg460 I1 sg415 I1 sg723 I1 sg272 I1 sg402 I1 sg530 I1 sg670 I1 sg390 I1 sg428 I1 sg594 I1 sg546 I1 sg706 I1 sg444 I1 sg356 I1 sg296 I1 sg310 I1 sg517 I1 sg284 I1 sg504 I1 sg340 I1 sg492 I1 sg606 I1 sg562 I1 sg260 I1 ssbas(I9 I10 tp881 (lp882 (ielbow.utilities.sets Set p883 (dp884 g876 (dp885 g706 I1 sg182 I1 sg195 I1 sg235 I1 sg80 I1 sg64 I1 sg5 I1 sg211 I1 sg158 I1 sg39 I1 sg52 I1 sg125 I1 sg170 I1 sg723 I1 sg798 I1 ssba(ielbow.utilities.sets Set p886 (dp887 g876 (dp888 g323 I1 sg460 I1 sg415 I1 sg272 I1 sg402 I1 sg530 I1 sg670 I1 sg390 I1 sg594 I1 sg546 I1 sg562 I1 sg444 I1 sg356 I1 sg296 I1 sg310 I1 sg517 I1 sg284 I1 sg504 I1 sg340 I1 sg492 I1 sg606 I1 sg428 I1 ssbas(I12 I13 tp889 (lp890 (ielbow.utilities.sets Set p891 (dp892 g876 (dp893 g402 I1 sg5 I1 sg39 I1 sg460 I1 sg415 I1 sg723 I1 sg670 I1 sg272 I1 sg125 I1 sg530 I1 sg235 I1 sg211 I1 sg158 I1 sg390 I1 sg52 I1 sg798 I1 sg594 I1 sg170 I1 sg546 I1 sg504 I1 sg444 I1 sg247 I1 sg182 I1 sg517 I1 sg562 I1 sg195 I1 sg80 I1 sg492 I1 sg706 I1 sg606 I1 sg428 I1 sg64 I1 sg260 I1 ssba(ielbow.utilities.sets Set p894 (dp895 g876 (dp896 g323 I1 sg310 I1 sg356 I1 sg340 I1 ssbas(I15 I16 tp897 (lp898 (ielbow.utilities.sets Set p899 (dp900 g876 (dp901 g296 I1 sg235 I1 sg323 I1 sg5 I1 sg39 I1 sg260 I1 sg723 I1 sg158 I1 sg272 I1 sg125 I1 sg530 I1 sg211 I1 sg670 I1 sg52 I1 sg798 I1 sg594 I1 sg170 I1 sg546 I1 sg504 I1 sg356 I1 sg247 I1 sg182 I1 sg310 I1 sg517 I1 sg284 I1 sg562 I1 sg195 I1 sg340 I1 sg80 I1 sg492 I1 sg706 I1 sg606 I1 sg64 I1 ssba(ielbow.utilities.sets Set p902 (dp903 g876 (dp904 g460 I1 sg428 I1 sg415 I1 sg444 I1 ssbas(I18 I19 tp905 (lp906 (ielbow.utilities.sets Set p907 (dp908 g876 (dp909 g296 I1 sg402 I1 sg323 I1 sg5 I1 sg39 I1 sg460 I1 sg415 I1 sg723 I1 sg158 I1 sg272 I1 sg125 I1 sg235 I1 sg211 I1 sg670 I1 sg390 I1 sg52 I1 sg798 I1 sg594 I1 sg170 I1 sg444 I1 sg356 I1 sg247 I1 sg182 I1 sg310 I1 sg284 I1 sg706 I1 sg195 I1 sg340 I1 sg80 I1 sg64 I1 sg606 I1 sg428 I1 sg260 I1 ssba(ielbow.utilities.sets Set p910 (dp911 g876 (dp912 g562 I1 sg517 I1 sg546 I1 sg530 I1 ssbassS'original_zmatrix_class' p913 g1 (celbow.chemistry.ZMatrixClass ZMatrixClass p914 g3 (lp915 g1 (celbow.chemistry.ZMatrixClass ZMatrixLine p916 g3 (lp917 g5 atRp918 (dp919 S'bond_index' p920 I2 sS'dihedral_index' p921 I6 sS'variable_set' p922 I00 sS'variable' p923 (lp924 I00 aI00 aI00 asS'ring' p925 I01 sS'angle_index' p926 I4 sS'equil' p927 Nsbag1 (g916 g3 (lp928 g39 ag5 aF1.340923735404425 atRp929 (dp930 g920 I2 sg921 I6 sg922 I00 sg923 (lp931 I00 aI00 aI00 asg925 I01 sg926 I4 sg927 F1.340923735404425 sbag1 (g916 g3 (lp932 g52 ag39 aF1.3204105215056099 ag5 aF121.16224068818694 atRp933 (dp934 g920 I2 sg921 I6 sg922 I00 sg923 (lp935 I00 aI00 aI00 asg925 I01 sg926 I4 sg927 F1.3204105215056099 sbag1 (g916 g3 (lp936 g64 ag52 aF1.4201616821981624 ag39 aF118.66918090397742 ag5 aF-179.04879703472938 atRp937 (dp938 g920 I2 sg921 I6 sg922 I00 sg923 (lp939 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F1.4201616821981624 sbag1 (g916 g3 (lp940 g158 ag52 aF1.3195132302362906 ag39 aF122.65490720442953 ag5 aF-0 atRp941 (dp942 g920 I2 sg921 I6 sg922 I00 sg923 (lp943 I00 aI00 aI00 asg925 I01 sg926 I4 sg927 F1.3195132302362906 sbag1 (g916 g3 (lp944 g170 ag158 aF1.3411567265813822 ag52 aF119.61145783217562 ag39 aF0 atRp945 (dp946 g920 I2 sg921 I6 sg922 I00 sg923 (lp947 I00 aI00 aI00 asg925 I01 sg926 I4 sg927 F1.3411567265813822 sbag1 (g916 g3 (lp948 g182 ag170 aF1.419697247164226 ag158 aF119.64618300516236 ag52 aF177.92968090987679 atRp949 (dp950 g920 I2 sg921 I6 sg922 I00 sg923 (lp951 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F1.419697247164226 sbag1 (g916 g3 (lp952 g235 ag170 aF1.4078380490548255 ag158 aF120.67641279244994 ag52 aF-0 atRp953 (dp954 g920 I2 sg921 I6 sg922 I00 sg923 (lp955 I00 aI00 aI00 asg925 I01 sg926 I4 sg927 F1.4078380490548255 sbag1 (g916 g3 (lp956 g247 ag235 aF1.5131428137824379 ag5 aF121.62053924781547 ag39 aF-177.35979511046153 atRp957 (dp958 g920 I2 sg921 I6 sg922 I00 sg923 (lp959 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F1.5131428137824379 sbag1 (g916 g3 (lp960 g260 ag247 aF1.5133355695707529 ag235 aF109.47748151059496 ag5 aF-0 atRp961 (dp962 g920 I2 sg921 I6 sg922 I00 sg923 (lp963 I00 aI00 aI00 asg925 I01 sg926 I4 sg927 F1.5133355695707529 sbag1 (g916 g3 (lp964 g272 ag260 aF1.3863762878323611 ag247 aF119.91971005144445 ag235 aF-101.57947754810995 atRp965 (dp966 g920 I2 sg921 I6 sg922 I00 sg923 (lp967 I00 aI00 aI00 asg925 I01 sg926 I4 sg927 F1.3863762878323611 sbag1 (g916 g3 (lp968 g284 ag272 aF1.3859865484134692 ag260 aF120.01184723614287 ag247 aF180 atRp969 (dp970 g920 I2 sg921 I6 sg922 I00 sg923 (lp971 I00 aI00 aI00 asg925 I01 sg926 I4 sg927 F1.3859865484134692 sbag1 (g916 g3 (lp972 g296 ag284 aF1.4050112022657637 ag272 aF119.97001599220742 ag260 aF177.19553284716622 atRp973 (dp974 g920 I2 sg921 I6 sg922 I00 sg923 (lp975 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F1.4050112022657637 sbag1 (g916 g3 (lp976 g310 ag296 aF1.4105119348642303 ag284 aF113.88860944569888 ag272 aF19.094452887077367 atRp977 (dp978 g920 I2 sg921 I6 sg922 I00 sg923 (lp979 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F1.4105119348642303 sbag1 (g916 g3 (lp980 g390 ag284 aF1.3859543394591392 ag272 aF119.99961078925494 ag260 aF0 atRp981 (dp982 g920 I2 sg921 I6 sg922 I00 sg923 (lp983 I00 aI00 aI00 asg925 I01 sg926 I4 sg927 F1.3859543394591392 sbag1 (g916 g3 (lp984 g402 ag390 aF1.4057029831649248 ag284 aF119.96844469887748 ag272 aF177.08295581685761 atRp985 (dp986 g920 I2 sg921 I6 sg922 I00 sg923 (lp987 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F1.4057029831649248 sbag1 (g916 g3 (lp988 g415 ag402 aF1.4106242847895776 ag390 aF113.89047599281925 ag284 aF96.76593274000993 atRp989 (dp990 g920 I2 sg921 I6 sg922 I00 sg923 (lp991 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F1.4106242847895776 sbag1 (g916 g3 (lp992 g492 ag390 aF1.3861249171047765 ag284 aF119.99765572413597 ag272 aF-0 atRp993 (dp994 g920 I2 sg921 I6 sg922 I00 sg923 (lp995 I00 aI00 aI00 asg925 I01 sg926 I4 sg927 F1.3861249171047765 sbag1 (g916 g3 (lp996 g504 ag492 aF1.404672439098458 ag390 aF119.98630403641138 ag284 aF178.1863831737748 atRp997 (dp998 g920 I2 sg921 I6 sg922 I00 sg923 (lp999 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F1.404672439098458 sbag1 (g916 g3 (lp1000 g517 ag504 aF1.4105827507179745 ag492 aF113.88791266552823 ag390 aF-168.59145552466424 atRp1001 (dp1002 g920 I2 sg921 I6 sg922 I00 sg923 (lp1003 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F1.4105827507179745 sbag1 (g916 g3 (lp1004 g594 ag492 aF1.3858986856768911 ag390 aF120.00713838560299 ag284 aF0 atRp1005 (dp1006 g920 I2 sg921 I6 sg922 I00 sg923 (lp1007 I00 aI00 aI00 asg925 I01 sg926 I4 sg927 F1.3858986856768911 sbag1 (g916 g3 (lp1008 g798 ag5 aF0.97614500000000004 ag39 aF120.40448542403362 ag52 aF179.99858398146696 atRp1009 (dp1010 g920 I2 sg921 I6 sg922 I00 sg923 (lp1011 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F0.97614500000000004 sbag1 (g916 g3 (lp1012 g80 ag64 aF0.911999 ag52 aF120.00290983518029 ag39 aF-110.58613297282936 atRp1013 (dp1014 g920 I2 sg921 I6 sg922 I00 sg923 (lp1015 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F0.911999 sbag1 (g916 g3 (lp1016 g125 ag64 aF0.911999 ag52 aF120.00265398969215 ag39 aF69.073147563767165 atRp1017 (dp1018 g920 I2 sg921 I6 sg922 I00 sg923 (lp1019 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F0.911999 sbag1 (g916 g3 (lp1020 g195 ag182 aF0.911999 ag170 aF120.00430363659291 ag158 aF-57.49862589301798 atRp1021 (dp1022 g920 I2 sg921 I6 sg922 I00 sg923 (lp1023 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F0.911999 sbag1 (g916 g3 (lp1024 g211 ag182 aF0.911999 ag170 aF119.99431839101726 ag158 aF120.52717292827656 atRp1025 (dp1026 g920 I2 sg921 I6 sg922 I00 sg923 (lp1027 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F0.911999 sbag1 (g916 g3 (lp1028 g706 ag247 aF0.97614500000000004 ag235 aF109.44289474954358 ag5 aF119.95926996197554 atRp1029 (dp1030 g920 I2 sg921 I6 sg922 I00 sg923 (lp1031 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F0.97614500000000004 sbag1 (g916 g3 (lp1032 g723 ag247 aF0.97614500000000004 ag235 aF109.49381249087394 ag5 aF-120.04845086141516 atRp1033 (dp1034 g920 I2 sg921 I6 sg922 I00 sg923 (lp1035 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F0.97614500000000004 sbag1 (g916 g3 (lp1036 g670 ag272 aF0.97614500000000004 ag260 aF119.98686179907459 ag247 aF-1.2965085037434894 atRp1037 (dp1038 g920 I2 sg921 I6 sg922 I00 sg923 (lp1039 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F0.97614500000000004 sbag1 (g916 g3 (lp1040 g323 ag310 aF0.97614500000000004 ag296 aF109.46440298805085 ag284 aF49.205672612787417 atRp1041 (dp1042 g920 I2 sg921 I6 sg922 I00 sg923 (lp1043 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F0.97614500000000004 sbag1 (g916 g3 (lp1044 g340 ag310 aF0.97614500000000004 ag296 aF109.46800373566082 ag284 aF-70.783660125879592 atRp1045 (dp1046 g920 I2 sg921 I6 sg922 I00 sg923 (lp1047 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F0.97614500000000004 sbag1 (g916 g3 (lp1048 g356 ag310 aF0.97614500000000004 ag296 aF109.48392893183494 ag284 aF169.20921529419363 atRp1049 (dp1050 g920 I2 sg921 I6 sg922 I00 sg923 (lp1051 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F0.97614500000000004 sbag1 (g916 g3 (lp1052 g428 ag415 aF0.97614500000000004 ag402 aF109.46351196740891 ag390 aF-17.362309663401501 atRp1053 (dp1054 g920 I2 sg921 I6 sg922 I00 sg923 (lp1055 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F0.97614500000000004 sbag1 (g916 g3 (lp1056 g444 ag415 aF0.97614500000000004 ag402 aF109.47392886108656 ag390 aF102.63102240651412 atRp1057 (dp1058 g920 I2 sg921 I6 sg922 I00 sg923 (lp1059 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F0.97614500000000004 sbag1 (g916 g3 (lp1060 g460 ag415 aF0.97614500000000004 ag402 aF109.47916216682188 ag390 aF-137.36056525508727 atRp1061 (dp1062 g920 I2 sg921 I6 sg922 I00 sg923 (lp1063 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F0.97614500000000004 sbag1 (g916 g3 (lp1064 g530 ag517 aF0.97614500000000004 ag504 aF109.48472256655953 ag492 aF173.12553440660437 atRp1065 (dp1066 g920 I2 sg921 I6 sg922 I00 sg923 (lp1067 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F0.97614500000000004 sbag1 (g916 g3 (lp1068 g546 ag517 aF0.97614500000000004 ag504 aF109.46565610875265 ag492 aF53.119952740322468 atRp1069 (dp1070 g920 I2 sg921 I6 sg922 I00 sg923 (lp1071 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F0.97614500000000004 sbag1 (g916 g3 (lp1072 g562 ag517 aF0.97614500000000004 ag504 aF109.46591101027118 ag492 aF-66.868707853885269 atRp1073 (dp1074 g920 I2 sg921 I6 sg922 I00 sg923 (lp1075 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F0.97614500000000004 sbag1 (g916 g3 (lp1076 g606 ag594 aF0.97614500000000004 ag260 aF119.99435333035353 ag247 aF-0.0042848936220400381 atRp1077 (dp1078 g920 I2 sg921 I6 sg922 I00 sg923 (lp1079 I00 aI00 aI00 asg925 I00 sg926 I4 sg927 F0.97614500000000004 sbatRp1080 (dp1081 S'use_parent_energise' p1082 I01 sS'atoms' p1083 (lp1084 g5 ag39 ag52 ag64 ag158 ag170 ag182 ag235 ag247 ag260 ag272 ag284 ag296 ag310 ag390 ag402 ag415 ag492 ag504 ag517 ag594 ag798 ag80 ag125 ag195 ag211 ag706 ag723 ag670 ag323 ag340 ag356 ag428 ag444 ag460 ag530 ag546 ag562 ag606 asbsg96 I01 sS'ring_restraint' p1085 g1 (celbow.chemistry.RingTopologyMixins empty_dict p1086 g853 (dp1087 I1 g1 (g852 g853 (dp1088 I1 (F0.064108112633433106 F0.057296138912217173 F0.020004880124436533 tp1089 sI2 (F1.4036075697360344 F0.016529492879084416 F0.066434926043038009 tp1090 sI3 (F2.04554325294015 F-0.053556116465903386 F1.2181686328063346 tp1091 s(I5 I3 I2 I1 tp1092 (lp1093 F0 aF10 aI0 asI5 (F1.421391733259362 F-0.087538556903679648 F2.3802337080024984 tp1094 sI6 (F0.081175252652091454 F-0.050338758857031998 F2.4139579631972414 tp1095 s(I3 I2 I1 tp1096 (lp1097 F121.17124458775341 aF2 asI8 (F-0.66548760209080327 F0.024535675292393175 F1.2227835961021085 tp1098 s(I3 I2 tp1099 (lp1100 F1.3412200000000001 aF200 as(I2 I1 tp1101 (lp1102 F1.3412200000000001 aF200 as(I6 I5 I3 tp1103 (lp1104 F119.62228607243179 aF2 as(I8 I6 I5 I3 tp1105 (lp1106 F0 aF10 aI0 as(I5 I3 I2 tp1107 (lp1108 F122.6748750688363 aF2 as(I6 I5 I3 I2 tp1109 (lp1110 F0 aF10 aI0 as(I6 I5 tp1111 (lp1112 F1.3412200000000001 aF200 as(I5 I3 tp1113 (lp1114 F1.3412200000000001 aF200 as(I2 I1 I8 I6 tp1115 (lp1116 F0 aF10 aI0 as(I1 I8 I6 I5 tp1117 (lp1118 F0 aF10 aI0 as(I3 I2 I1 I8 tp1119 (lp1120 F0 aF10 aI0 as(I2 I1 I8 tp1121 (lp1122 F119.17132017656076 aF2 as(I1 I8 tp1123 (lp1124 F1.386045 aF200 as(I8 I6 I5 tp1125 (lp1126 F120.66760702037723 aF2 as(I1 I8 I6 tp1127 (lp1128 F116.69266707404051 aF2 as(I8 I6 tp1129 (lp1130 F1.386045 aF200 astRp1131 (dp1132 g856 Nsg857 (dp1133 I1 I0 sI2 I1 sI3 I2 sI5 I3 sI6 I4 sI8 I5 ssg859 I00 sg860 (lp1134 sg862 (dp1135 sbsI2 g1 (g852 g853 (dp1136 (I15 I12 I11 I10 tp1137 (lp1138 F0 aF10 aI0 as(I18 I15 I12 tp1139 (lp1140 F120.00000000000001 aF2 as(I18 I15 tp1141 (lp1142 F1.386045 aF200 as(I10 I21 I18 I15 tp1143 (lp1144 F0 aF10 aI0 asI10 (F-2.6979453297289568 F0.60178554276622143 F-0.058914863441759426 tp1145 sI11 (F-3.1700249572048582 F1.9051335849907476 F-0.080453610284277388 tp1146 sI12 (F-3.7404228320076838 F2.4168507750301833 F-1.2353347705001878 tp1147 sI15 (F-3.8389431634758804 F1.6255656500178473 F-2.3689268604016771 tp1148 s(I10 I21 I18 tp1149 (lp1150 F120.00000000000001 aF2 as(I11 I10 I21 tp1151 (lp1152 F119.99999999999999 aF2 asI21 (F-2.7966299597772646 F-0.18934865686280178 F-1.1928444109503031 tp1153 s(I12 I11 tp1154 (lp1155 F1.386045 aF200 as(I15 I12 I11 tp1156 (lp1157 F120.00000000000001 aF2 as(I21 I18 tp1158 (lp1159 F1.386045 aF200 as(I10 I21 tp1160 (lp1161 F1.386045 aF200 as(I21 I18 I15 tp1162 (lp1163 F120.00000000000001 aF2 as(I15 I12 tp1164 (lp1165 F1.386045 aF200 as(I11 I10 tp1166 (lp1167 F1.386045 aF200 as(I12 I11 I10 tp1168 (lp1169 F119.99999999999999 aF2 asI18 (F-3.367007079299849 F0.32242946094528729 F-2.3476033756779482 tp1170 s(I21 I18 I15 I12 tp1171 (lp1172 F0 aF10 aI0 as(I18 I15 I12 I11 tp1173 (lp1174 F0 aF10 aI0 as(I12 I11 I10 I21 tp1175 (lp1176 F0 aF10 aI0 as(I11 I10 I21 I18 tp1177 (lp1178 F0 aF10 aI0 astRp1179 (dp1180 g856 Nsg857 (dp1181 I10 I0 sI11 I1 sI12 I2 sI15 I3 sI18 I4 sI21 I5 ssg859 I00 sg860 (lp1182 sg862 (dp1183 sbstRp1184 sS'loop_class' p1185 (lp1186 sg98 I0 sS'residue_name' p1187 g31 sS'peptide_class' p1188 g1 (g848 g3 (ltRp1189 (dp1190 g851 g1 (g852 g853 (dtRp1191 (dp1192 g856 Nsg857 (dp1193 sg859 I00 sg860 (lp1194 sg862 (dp1195 sbsbsS'energy' p1196 F58.808923507380825 sS'ring_angles' p1197 (lp1198 g1 (celbow.chemistry.AngleClass AngleClass p1199 g3 (lp1200 g52 ag39 ag5 atRp1201 (dp1202 S'symbols' p1203 (lp1204 S':' aS':' asS'estimated_second_derivative' p1205 F0.25659632321363007 sS'restrain' p1206 I01 sg927 F108 sbag1 (g1199 g3 (lp1207 g170 ag235 ag5 atRp1208 (dp1209 g1203 (lp1210 S':' aS':' asg1205 F0.2632247234956992 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1211 g235 ag5 ag39 atRp1212 (dp1213 g1203 (lp1214 S':' aS':' asg1205 F0.25386104953459321 sg1206 I01 sg927 F108 sbag1 (g1199 g3 (lp1215 g158 ag52 ag39 atRp1216 (dp1217 g1203 (lp1218 S':' aS':' asg1205 F0.26026108621325483 sg1206 I01 sg927 F108 sbag1 (g1199 g3 (lp1219 g170 ag158 ag52 atRp1220 (dp1221 g1203 (lp1222 S':' aS':' asg1205 F0.25696135035114093 sg1206 I01 sg927 F108 sbag1 (g1199 g3 (lp1223 g235 ag170 ag158 atRp1224 (dp1225 g1203 (lp1226 S':' aS':' asg1205 F0.26510699179527281 sg1206 I01 sg927 F108 sbag1 (g1199 g3 (lp1227 g284 ag272 ag260 atRp1228 (dp1229 g1203 (lp1230 S':' aS':' asg1205 F0.264771188054573 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1231 g492 ag594 ag260 atRp1232 (dp1233 g1203 (lp1234 S':' aS':' asg1205 F0.25237463049838893 sg1206 I01 sg927 F117.44059566009406 sbag1 (g1199 g3 (lp1235 g594 ag260 ag272 atRp1236 (dp1237 g1203 (lp1238 S':' aS':' asg1205 F0.23983786277068667 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1239 g390 ag284 ag272 atRp1240 (dp1241 g1203 (lp1242 S':' aS':' asg1205 F0.22639448620179353 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1243 g492 ag390 ag284 atRp1244 (dp1245 g1203 (lp1246 S':' aS':' asg1205 F0.23246972820242645 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1247 g594 ag492 ag390 atRp1248 (dp1249 g1203 (lp1250 S':' aS':' asg1205 F0.23011324099855457 sg1206 I01 sg927 F120 sbasS'active_dihedrals' p1251 (lp1252 g1 (celbow.chemistry.DihedralClass DihedralClass p1253 g3 (lp1254 g5 ag39 ag52 ag64 atRp1255 (dp1256 g1203 (lp1257 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1258 g5 ag39 ag52 ag158 atRp1259 (dp1260 g1203 (lp1261 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1262 g39 ag52 ag158 ag170 atRp1263 (dp1264 g1203 (lp1265 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1266 g52 ag158 ag170 ag182 atRp1267 (dp1268 g1203 (lp1269 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1270 g52 ag158 ag170 ag235 atRp1271 (dp1272 g1203 (lp1273 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1274 g39 ag5 ag235 ag247 atRp1275 (dp1276 g1203 (lp1277 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1278 g5 ag235 ag247 ag260 atRp1279 (dp1280 g1203 (lp1281 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1282 g235 ag247 ag260 ag272 atRp1283 (dp1284 g1203 (lp1285 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1286 g247 ag260 ag272 ag284 atRp1287 (dp1288 g1203 (lp1289 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1290 g260 ag272 ag284 ag296 atRp1291 (dp1292 g1203 (lp1293 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1294 g272 ag284 ag296 ag310 atRp1295 (dp1296 g1203 (lp1297 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1298 g260 ag272 ag284 ag390 atRp1299 (dp1300 g1203 (lp1301 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1302 g272 ag284 ag390 ag402 atRp1303 (dp1304 g1203 (lp1305 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1306 g284 ag390 ag402 ag415 atRp1307 (dp1308 g1203 (lp1309 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1310 g272 ag284 ag390 ag492 atRp1311 (dp1312 g1203 (lp1313 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1314 g284 ag390 ag492 ag504 atRp1315 (dp1316 g1203 (lp1317 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1318 g390 ag492 ag504 ag517 atRp1319 (dp1320 g1203 (lp1321 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1322 g284 ag390 ag492 ag594 atRp1323 (dp1324 g1203 (lp1325 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1326 g52 ag39 ag5 ag798 atRp1327 (dp1328 g1203 (lp1329 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1330 g39 ag52 ag64 ag80 atRp1331 (dp1332 g1203 (lp1333 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1334 g39 ag52 ag64 ag125 atRp1335 (dp1336 g1203 (lp1337 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1338 g158 ag170 ag182 ag195 atRp1339 (dp1340 g1203 (lp1341 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1342 g158 ag170 ag182 ag211 atRp1343 (dp1344 g1203 (lp1345 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1346 g5 ag235 ag247 ag706 atRp1347 (dp1348 g1203 (lp1349 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1350 g5 ag235 ag247 ag723 atRp1351 (dp1352 g1203 (lp1353 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1354 g247 ag260 ag272 ag670 atRp1355 (dp1356 g1203 (lp1357 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1358 g284 ag296 ag310 ag323 atRp1359 (dp1360 g1203 (lp1361 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1362 g284 ag296 ag310 ag340 atRp1363 (dp1364 g1203 (lp1365 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1366 g284 ag296 ag310 ag356 atRp1367 (dp1368 g1203 (lp1369 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1370 g390 ag402 ag415 ag428 atRp1371 (dp1372 g1203 (lp1373 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1374 g390 ag402 ag415 ag444 atRp1375 (dp1376 g1203 (lp1377 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1378 g390 ag402 ag415 ag460 atRp1379 (dp1380 g1203 (lp1381 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1382 g492 ag504 ag517 ag530 atRp1383 (dp1384 g1203 (lp1385 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1386 g492 ag504 ag517 ag546 atRp1387 (dp1388 g1203 (lp1389 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1390 g492 ag504 ag517 ag562 atRp1391 (dp1392 g1203 (lp1393 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1394 g247 ag260 ag594 ag606 atRp1395 (dp1396 g1203 (lp1397 S'' aS'' aS'' asg1206 I00 sbag1 (g1253 g3 (lp1398 g158 ag170 ag235 ag5 atRp1399 (dp1400 g1203 (lp1401 S':' aS':' aS':' asg1205 F0.24999667308557696 sg1206 I01 sg927 F0 sbag1 (g1253 g3 (lp1402 g182 ag170 ag235 ag5 atRp1403 (dp1404 g1203 (lp1405 S'-' aS':' aS':' asg1205 F0.25002073501086541 sg1206 I00 sbag1 (g1253 g3 (lp1406 g170 ag235 ag5 ag39 atRp1407 (dp1408 g1203 (lp1409 S':' aS':' aS':' asg1205 F0.25000111447982315 sg1206 I01 sg927 F0 sbag1 (g1253 g3 (lp1410 g235 ag5 ag39 ag52 atRp1411 (dp1412 g1203 (lp1413 S':' aS':' aS':' asg1205 F0.24983600520605748 sg1206 I01 sg927 F0 sbag1 (g1253 g3 (lp1414 g170 ag158 ag52 ag64 atRp1415 (dp1416 g1203 (lp1417 S':' aS':' aS'-' asg1205 F0.24961194647316465 sg1206 I00 sbag1 (g1253 g3 (lp1418 g247 ag235 ag170 ag158 atRp1419 (dp1420 g1203 (lp1421 S'-' aS':' aS':' asg1205 F0.24973055810467143 sg1206 I00 sbag1 (g1253 g3 (lp1422 g260 ag247 ag235 ag170 atRp1423 (dp1424 g1203 (lp1425 S'-' aS'-' aS':' asg1205 F0.24995467372669219 sg1206 I00 sbag1 (g1253 g3 (lp1426 g247 ag235 ag170 ag182 atRp1427 (dp1428 g1203 (lp1429 S'-' aS':' aS'-' asg1205 F0.24995803043494938 sg1206 I00 sbag1 (g1253 g3 (lp1430 g594 ag260 ag247 ag235 atRp1431 (dp1432 g1203 (lp1433 S':' aS'-' aS'-' asg1205 F0.24994089108253301 sg1206 I00 sbag1 (g1253 g3 (lp1434 g492 ag594 ag260 ag247 atRp1435 (dp1436 g1203 (lp1437 S':' aS':' aS'-' asg1205 F0.24989878121620851 sg1206 I00 sbag1 (g1253 g3 (lp1438 g390 ag492 ag594 ag260 atRp1439 (dp1440 g1203 (lp1441 S':' aS':' aS':' asg1205 F0.2500002763206442 sg1206 I01 sg927 F0 sbag1 (g1253 g3 (lp1442 g504 ag492 ag594 ag260 atRp1443 (dp1444 g1203 (lp1445 S'-' aS':' aS':' asg1205 F0.24999902269461033 sg1206 I00 sbag1 (g1253 g3 (lp1446 g492 ag594 ag260 ag272 atRp1447 (dp1448 g1203 (lp1449 S':' aS':' aS':' asg1205 F0.24982073403465482 sg1206 I01 sg927 F0 sbag1 (g1253 g3 (lp1450 g594 ag260 ag272 ag284 atRp1451 (dp1452 g1203 (lp1453 S':' aS':' aS':' asg1205 F0.24995108853095471 sg1206 I01 sg927 F0 sbag1 (g1253 g3 (lp1454 g402 ag390 ag284 ag296 atRp1455 (dp1456 g1203 (lp1457 S'-' aS':' aS'-' asg1205 F0.2499731274216509 sg1206 I00 sbag1 (g1253 g3 (lp1458 g492 ag390 ag284 ag296 atRp1459 (dp1460 g1203 (lp1461 S':' aS':' aS'-' asg1205 F0.24992039823052684 sg1206 I00 sbag1 (g1253 g3 (lp1462 g390 ag284 ag296 ag310 atRp1463 (dp1464 g1203 (lp1465 S':' aS'-' aS'-' asg1205 F0.24998609926358409 sg1206 I00 sbag1 (g1253 g3 (lp1466 g504 ag492 ag390 ag402 atRp1467 (dp1468 g1203 (lp1469 S'-' aS':' aS'-' asg1205 F0.24952846171333401 sg1206 I00 sbag1 (g1253 g3 (lp1470 g594 ag492 ag390 ag402 atRp1471 (dp1472 g1203 (lp1473 S':' aS':' aS'-' asg1205 F0.24998110461367476 sg1206 I00 sbag1 (g1253 g3 (lp1474 g492 ag390 ag402 ag415 atRp1475 (dp1476 g1203 (lp1477 S':' aS'-' aS'-' asg1205 F0.24999626920296095 sg1206 I00 sbag1 (g1253 g3 (lp1478 g594 ag492 ag504 ag517 atRp1479 (dp1480 g1203 (lp1481 S':' aS'-' aS'-' asg1205 F0.24998440440015143 sg1206 I00 sbag1 (g1253 g3 (lp1482 g80 ag64 ag52 ag158 atRp1483 (dp1484 g1203 (lp1485 S'-' aS'-' aS':' asg1205 F0.24942644558719165 sg1206 I00 sbag1 (g1253 g3 (lp1486 g125 ag64 ag52 ag158 atRp1487 (dp1488 g1203 (lp1489 S'-' aS'-' aS':' asg1205 F0.24908104020129315 sg1206 I00 sbag1 (g1253 g3 (lp1490 g798 ag5 ag235 ag170 atRp1491 (dp1492 g1203 (lp1493 S'-' aS':' aS':' asg1205 F0.24992959568309944 sg1206 I01 sg927 F180 sbag1 (g1253 g3 (lp1494 g706 ag247 ag235 ag170 atRp1495 (dp1496 g1203 (lp1497 S'-' aS'-' aS':' asg1205 F0.24991089402928107 sg1206 I00 sbag1 (g1253 g3 (lp1498 g723 ag247 ag235 ag170 atRp1499 (dp1500 g1203 (lp1501 S'-' aS'-' aS':' asg1205 F0.24979313446376089 sg1206 I00 sbag1 (g1253 g3 (lp1502 g195 ag182 ag170 ag235 atRp1503 (dp1504 g1203 (lp1505 S'-' aS'-' aS':' asg1205 F0.24992654156482869 sg1206 I00 sbag1 (g1253 g3 (lp1506 g211 ag182 ag170 ag235 atRp1507 (dp1508 g1203 (lp1509 S'-' aS'-' aS':' asg1205 F0.24997787867926261 sg1206 I00 sbag1 (g1253 g3 (lp1510 g798 ag5 ag235 ag247 atRp1511 (dp1512 g1203 (lp1513 S'-' aS':' aS'-' asg1205 F0.24987815494279694 sg1206 I00 sbag1 (g1253 g3 (lp1514 g706 ag247 ag260 ag272 atRp1515 (dp1516 g1203 (lp1517 S'-' aS'-' aS':' asg1205 F0.24961336166649448 sg1206 I00 sbag1 (g1253 g3 (lp1518 g723 ag247 ag260 ag272 atRp1519 (dp1520 g1203 (lp1521 S'-' aS'-' aS':' asg1205 F0.24998783772702554 sg1206 I00 sbag1 (g1253 g3 (lp1522 g606 ag594 ag260 ag272 atRp1523 (dp1524 g1203 (lp1525 S'-' aS':' aS':' asg1205 F0.24986248253183618 sg1206 I00 sbag1 (g1253 g3 (lp1526 g670 ag272 ag284 ag296 atRp1527 (dp1528 g1203 (lp1529 S'-' aS':' aS'-' asg1205 F0.25000609269298463 sg1206 I00 sbag1 (g1253 g3 (lp1530 g670 ag272 ag284 ag390 atRp1531 (dp1532 g1203 (lp1533 S'-' aS':' aS':' asg1205 F0.24999679461454988 sg1206 I00 sbag1 (g1253 g3 (lp1534 g606 ag594 ag492 ag390 atRp1535 (dp1536 g1203 (lp1537 S'-' aS':' aS':' asg1205 F-0.0010555200463292413 sg1206 I01 sg927 F180 sbag1 (g1253 g3 (lp1538 g606 ag594 ag492 ag504 atRp1539 (dp1540 g1203 (lp1541 S'-' aS':' aS'-' asg1205 F0.249450214531586 sg1206 I00 sbag1 (g1253 g3 (lp1542 g706 ag247 ag260 ag594 atRp1543 (dp1544 g1203 (lp1545 S'-' aS'-' aS':' asg1205 F0.24971011287902101 sg1206 I00 sbag1 (g1253 g3 (lp1546 g723 ag247 ag260 ag594 atRp1547 (dp1548 g1203 (lp1549 S'-' aS'-' aS':' asg1205 F0.24977150783406873 sg1206 I00 sbag1 (g1253 g3 (lp1550 g670 ag272 ag260 ag594 atRp1551 (dp1552 g1203 (lp1553 S'-' aS':' aS':' asg1205 F0.24864097507347066 sg1206 I00 sbasS'chiral_zmatrix' p1554 (dp1555 sS'filename_preamble' p1556 S'ligand-laila-opt' p1557 sS'start_time' p1558 F1394543388.9686041 sS'UseCIFWeights' p1559 I01 sS'rejected' p1560 (lp1561 sS'angles' p1562 g1 (celbow.chemistry.InternalCoordinateListClass InternalCoordinateListClass p1563 g3 (lp1564 g1201 ag1208 ag1 (g1199 g3 (lp1565 g247 ag235 ag5 atRp1566 (dp1567 g1203 (lp1568 S'-' aS':' asg1205 F0.25509812448722569 sg1206 I01 sg927 F120 sbag1212 ag1 (g1199 g3 (lp1569 g64 ag52 ag39 atRp1570 (dp1571 g1203 (lp1572 S'-' aS':' asg1205 F0.25204707323787817 sg1206 I01 sg927 F126 sbag1216 ag1220 ag1 (g1199 g3 (lp1573 g158 ag52 ag64 atRp1574 (dp1575 g1203 (lp1576 S':' aS'-' asg1205 F0.24622785012955339 sg1206 I01 sg927 F126 sbag1 (g1199 g3 (lp1577 g182 ag170 ag158 atRp1578 (dp1579 g1203 (lp1580 S'-' aS':' asg1205 F0.25425762423878551 sg1206 I01 sg927 F126 sbag1224 ag1 (g1199 g3 (lp1581 g247 ag235 ag170 atRp1582 (dp1583 g1203 (lp1584 S'-' aS':' asg1205 F0.25311353979577206 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1585 g235 ag170 ag182 atRp1586 (dp1587 g1203 (lp1588 S':' aS'-' asg1205 F0.23984239328869436 sg1206 I01 sg927 F126 sbag1 (g1199 g3 (lp1589 g260 ag247 ag235 atRp1590 (dp1591 g1203 (lp1592 S'-' aS'-' asg1205 F0.26490175817776057 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1593 g272 ag260 ag247 atRp1594 (dp1595 g1203 (lp1596 S':' aS'-' asg1205 F0.25365361213779009 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1597 g594 ag260 ag247 atRp1598 (dp1599 g1203 (lp1600 S':' aS'-' asg1205 F0.24114369316096471 sg1206 I01 sg927 F120 sbag1228 ag1232 ag1236 ag1 (g1199 g3 (lp1601 g296 ag284 ag272 atRp1602 (dp1603 g1203 (lp1604 S'-' aS':' asg1205 F0.26552681617573431 sg1206 I01 sg927 F120 sbag1240 ag1 (g1199 g3 (lp1605 g310 ag296 ag284 atRp1606 (dp1607 g1203 (lp1608 S'-' aS'-' asg1205 F0.23363048183097435 sg1206 I01 sg927 F113.89 sbag1 (g1199 g3 (lp1609 g402 ag390 ag284 atRp1610 (dp1611 g1203 (lp1612 S'-' aS':' asg1205 F0.22649256712530638 sg1206 I01 sg927 F120 sbag1244 ag1 (g1199 g3 (lp1613 g390 ag284 ag296 atRp1614 (dp1615 g1203 (lp1616 S':' aS'-' asg1205 F0.22499722973420991 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1617 g415 ag402 ag390 atRp1618 (dp1619 g1203 (lp1620 S'-' aS'-' asg1205 F0.22218101739096852 sg1206 I01 sg927 F113.89 sbag1 (g1199 g3 (lp1621 g504 ag492 ag390 atRp1622 (dp1623 g1203 (lp1624 S'-' aS':' asg1205 F0.2217506162529623 sg1206 I01 sg927 F120 sbag1248 ag1 (g1199 g3 (lp1625 g492 ag390 ag402 atRp1626 (dp1627 g1203 (lp1628 S':' aS'-' asg1205 F0.21958440385517408 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1629 g517 ag504 ag492 atRp1630 (dp1631 g1203 (lp1632 S'-' aS'-' asg1205 F0.21898747173254657 sg1206 I01 sg927 F113.89 sbag1 (g1199 g3 (lp1633 g594 ag492 ag504 atRp1634 (dp1635 g1203 (lp1636 S':' aS'-' asg1205 F0.21760972680363294 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1637 g798 ag5 ag39 atRp1638 (dp1639 g1203 (lp1640 S'-' aS':' asg1205 F0.22016025526448491 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1641 g80 ag64 ag52 atRp1642 (dp1643 g1203 (lp1644 S'-' aS'-' asg1205 F0.21873736046685721 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1645 g125 ag64 ag52 atRp1646 (dp1647 g1203 (lp1648 S'-' aS'-' asg1205 F0.21853386937543659 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1649 g195 ag182 ag170 atRp1650 (dp1651 g1203 (lp1652 S'-' aS'-' asg1205 F0.21830753281221571 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1653 g211 ag182 ag170 atRp1654 (dp1655 g1203 (lp1656 S'-' aS'-' asg1205 F0.21945628484842203 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1657 g798 ag5 ag235 atRp1658 (dp1659 g1203 (lp1660 S'-' aS':' asg1205 F0.21920637989604264 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1661 g706 ag247 ag235 atRp1662 (dp1663 g1203 (lp1664 S'-' aS'-' asg1205 F0.23074189844870086 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1665 g723 ag247 ag235 atRp1666 (dp1667 g1203 (lp1668 S'-' aS'-' asg1205 F0.26475527305344287 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1669 g706 ag247 ag260 atRp1670 (dp1671 g1203 (lp1672 S'-' aS'-' asg1205 F0.26018332513976639 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1673 g723 ag247 ag260 atRp1674 (dp1675 g1203 (lp1676 S'-' aS'-' asg1205 F0.25549687585304343 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1677 g670 ag272 ag260 atRp1678 (dp1679 g1203 (lp1680 S'-' aS':' asg1205 F0.25772468257418896 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1681 g606 ag594 ag260 atRp1682 (dp1683 g1203 (lp1684 S'-' aS':' asg1205 F0.26219389534047677 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1685 g670 ag272 ag284 atRp1686 (dp1687 g1203 (lp1688 S'-' aS':' asg1205 F0.25481781914216789 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1689 g323 ag310 ag296 atRp1690 (dp1691 g1203 (lp1692 S'-' aS'-' asg1205 F0.26592598244571364 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1693 g340 ag310 ag296 atRp1694 (dp1695 g1203 (lp1696 S'-' aS'-' asg1205 F0.2652268537307747 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1697 g356 ag310 ag296 atRp1698 (dp1699 g1203 (lp1700 S'-' aS'-' asg1205 F0.25256013762709312 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1701 g428 ag415 ag402 atRp1702 (dp1703 g1203 (lp1704 S'-' aS'-' asg1205 F0.25370174413350244 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1705 g444 ag415 ag402 atRp1706 (dp1707 g1203 (lp1708 S'-' aS'-' asg1205 F0.25310698926806308 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1709 g460 ag415 ag402 atRp1710 (dp1711 g1203 (lp1712 S'-' aS'-' asg1205 F0.23247410326373871 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1713 g606 ag594 ag492 atRp1714 (dp1715 g1203 (lp1716 S'-' aS':' asg1205 F0.22021323715614846 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1717 g530 ag517 ag504 atRp1718 (dp1719 g1203 (lp1720 S'-' aS'-' asg1205 F0.21993816535590527 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1721 g546 ag517 ag504 atRp1722 (dp1723 g1203 (lp1724 S'-' aS'-' asg1205 F0.23081314734486644 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1725 g562 ag517 ag504 atRp1726 (dp1727 g1203 (lp1728 S'-' aS'-' asg1205 F0.23093860051728626 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1729 g125 ag64 ag80 atRp1730 (dp1731 g1203 (lp1732 S'-' aS'-' asg1205 F0.20070590306206015 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1733 g211 ag182 ag195 atRp1734 (dp1735 g1203 (lp1736 S'-' aS'-' asg1205 F0.20405924629306257 sg1206 I01 sg927 F120 sbag1 (g1199 g3 (lp1737 g723 ag247 ag706 atRp1738 (dp1739 g1203 (lp1740 S'-' aS'-' asg1205 F0.19896537541184606 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1741 g340 ag310 ag323 atRp1742 (dp1743 g1203 (lp1744 S'-' aS'-' asg1205 F0.20263950092739613 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1745 g356 ag310 ag323 atRp1746 (dp1747 g1203 (lp1748 S'-' aS'-' asg1205 F0.20164823451212999 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1749 g356 ag310 ag340 atRp1750 (dp1751 g1203 (lp1752 S'-' aS'-' asg1205 F0.20096220546007876 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1753 g444 ag415 ag428 atRp1754 (dp1755 g1203 (lp1756 S'-' aS'-' asg1205 F0.2023792735247717 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1757 g460 ag415 ag428 atRp1758 (dp1759 g1203 (lp1760 S'-' aS'-' asg1205 F0.20232501162542102 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1761 g460 ag415 ag444 atRp1762 (dp1763 g1203 (lp1764 S'-' aS'-' asg1205 F0.20094688790245524 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1765 g546 ag517 ag530 atRp1766 (dp1767 g1203 (lp1768 S'-' aS'-' asg1205 F0.2016145376662663 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1769 g562 ag517 ag530 atRp1770 (dp1771 g1203 (lp1772 S'-' aS'-' asg1205 F0.20140705033708209 sg1206 I01 sg927 F109.47122063449069 sbag1 (g1199 g3 (lp1773 g562 ag517 ag546 atRp1774 (dp1775 g1203 (lp1776 S'-' aS'-' asg1205 F0.2029138713836727 sg1206 I01 sg927 F109.47122063449069 sbatRp1777 sS'small_planar_class' p1778 g1 (g848 g3 (ltRp1779 (dp1780 g851 g1 (g852 g853 (dtRp1781 (dp1782 g856 Nsg857 (dp1783 sg859 I00 sg860 (lp1784 sg862 (dp1785 sbsbsS'dihedrals' p1786 g1 (g1563 g3 (lp1787 g1 (g1253 g3 (lp1788 g64 ag52 ag39 ag5 atRp1789 (dp1790 g1203 (lp1791 S'-' aS':' aS':' asg1205 F0.24998088729308296 sg1206 I00 sbag1 (g1253 g3 (lp1792 g158 ag52 ag39 ag5 atRp1793 (dp1794 g1203 (lp1795 S':' aS':' aS':' asg1205 F0.25000443547276469 sg1206 I01 sg927 F0 sbag1399 ag1403 ag1 (g1253 g3 (lp1796 g260 ag247 ag235 ag5 atRp1797 (dp1798 g1203 (lp1799 S'-' aS'-' aS':' asg1205 F0.25000992436302177 sg1206 I00 sbag1407 ag1 (g1253 g3 (lp1800 g247 ag235 ag5 ag39 atRp1801 (dp1802 g1203 (lp1803 S'-' aS':' aS':' asg1205 F0.24992499898465337 sg1206 I00 sbag1 (g1253 g3 (lp1804 g170 ag158 ag52 ag39 atRp1805 (dp1806 g1203 (lp1807 S':' aS':' aS':' asg1205 F0.24827049125894801 sg1206 I01 sg927 F0 sbag1411 ag1 (g1253 g3 (lp1808 g182 ag170 ag158 ag52 atRp1809 (dp1810 g1203 (lp1811 S'-' aS':' aS':' asg1205 F0.24982983804465483 sg1206 I00 sbag1 (g1253 g3 (lp1812 g235 ag170 ag158 ag52 atRp1813 (dp1814 g1203 (lp1815 S':' aS':' aS':' asg1205 F0.24989732775007309 sg1206 I01 sg927 F0 sbag1415 ag1419 ag1423 ag1427 ag1 (g1253 g3 (lp1816 g272 ag260 ag247 ag235 atRp1817 (dp1818 g1203 (lp1819 S':' aS'-' aS'-' asg1205 F0.2499380950031346 sg1206 I00 sbag1431 ag1 (g1253 g3 (lp1820 g284 ag272 ag260 ag247 atRp1821 (dp1822 g1203 (lp1823 S':' aS':' aS'-' asg1205 F0.24989912659154156 sg1206 I00 sbag1435 ag1 (g1253 g3 (lp1824 g296 ag284 ag272 ag260 atRp1825 (dp1826 g1203 (lp1827 S'-' aS':' aS':' asg1205 F0.25001302524901275 sg1206 I00 sbag1 (g1253 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(lp2213 S':' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2214 g158 ag170 ag235 atRp2215 (dp2216 g1203 (lp2217 S':' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2218 g182 ag170 ag235 atRp2219 (dp2220 g1203 (lp2221 S'-' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2222 g260 ag247 ag235 atRp2223 (dp2224 g1203 (lp2225 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2226 g5 ag235 ag247 atRp2227 (dp2228 g1203 (lp2229 S':' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2230 g170 ag235 ag247 atRp2231 (dp2232 g1203 (lp2233 S':' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2234 g272 ag260 ag247 atRp2235 (dp2236 g1203 (lp2237 S':' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2238 g594 ag260 ag247 atRp2239 (dp2240 g1203 (lp2241 S':' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2242 g235 ag247 ag260 atRp2243 (dp2244 g1203 (lp2245 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2246 g284 ag272 ag260 atRp2247 (dp2248 g1203 (lp2249 S':' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2250 g492 ag594 ag260 atRp2251 (dp2252 g1203 (lp2253 S':' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2254 g247 ag260 ag272 atRp2255 (dp2256 g1203 (lp2257 S'-' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2258 g594 ag260 ag272 atRp2259 (dp2260 g1203 (lp2261 S':' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2262 g296 ag284 ag272 atRp2263 (dp2264 g1203 (lp2265 S'-' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2266 g390 ag284 ag272 atRp2267 (dp2268 g1203 (lp2269 S':' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2270 g260 ag272 ag284 atRp2271 (dp2272 g1203 (lp2273 S':' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2274 g310 ag296 ag284 atRp2275 (dp2276 g1203 (lp2277 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2278 g402 ag390 ag284 atRp2279 (dp2280 g1203 (lp2281 S'-' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2282 g492 ag390 ag284 atRp2283 (dp2284 g1203 (lp2285 S':' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2286 g272 ag284 ag296 atRp2287 (dp2288 g1203 (lp2289 S':' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2290 g390 ag284 ag296 atRp2291 (dp2292 g1203 (lp2293 S':' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2294 g284 ag296 ag310 atRp2295 (dp2296 g1203 (lp2297 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2298 g272 ag284 ag390 atRp2299 (dp2300 g1203 (lp2301 S':' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2302 g296 ag284 ag390 atRp2303 (dp2304 g1203 (lp2305 S'-' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2306 g415 ag402 ag390 atRp2307 (dp2308 g1203 (lp2309 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2310 g504 ag492 ag390 atRp2311 (dp2312 g1203 (lp2313 S'-' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2314 g594 ag492 ag390 atRp2315 (dp2316 g1203 (lp2317 S':' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2318 g284 ag390 ag402 atRp2319 (dp2320 g1203 (lp2321 S':' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2322 g492 ag390 ag402 atRp2323 (dp2324 g1203 (lp2325 S':' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2326 g390 ag402 ag415 atRp2327 (dp2328 g1203 (lp2329 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2330 g284 ag390 ag492 atRp2331 (dp2332 g1203 (lp2333 S':' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2334 g402 ag390 ag492 atRp2335 (dp2336 g1203 (lp2337 S'-' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2338 g517 ag504 ag492 atRp2339 (dp2340 g1203 (lp2341 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2342 g260 ag594 ag492 atRp2343 (dp2344 g1203 (lp2345 S':' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2346 g390 ag492 ag504 atRp2347 (dp2348 g1203 (lp2349 S':' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2350 g594 ag492 ag504 atRp2351 (dp2352 g1203 (lp2353 S':' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2354 g492 ag504 ag517 atRp2355 (dp2356 g1203 (lp2357 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2358 g247 ag260 ag594 atRp2359 (dp2360 g1203 (lp2361 S'-' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2362 g272 ag260 ag594 atRp2363 (dp2364 g1203 (lp2365 S':' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2366 g390 ag492 ag594 atRp2367 (dp2368 g1203 (lp2369 S':' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2370 g504 ag492 ag594 atRp2371 (dp2372 g1203 (lp2373 S'-' aS':' asg1206 I00 sbag1 (g1199 g3 (lp2374 g39 ag5 ag798 atRp2375 (dp2376 g1203 (lp2377 S':' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2378 g235 ag5 ag798 atRp2379 (dp2380 g1203 (lp2381 S':' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2382 g52 ag64 ag80 atRp2383 (dp2384 g1203 (lp2385 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2386 g52 ag64 ag125 atRp2387 (dp2388 g1203 (lp2389 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2390 g80 ag64 ag125 atRp2391 (dp2392 g1203 (lp2393 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2394 g170 ag182 ag195 atRp2395 (dp2396 g1203 (lp2397 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2398 g170 ag182 ag211 atRp2399 (dp2400 g1203 (lp2401 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2402 g195 ag182 ag211 atRp2403 (dp2404 g1203 (lp2405 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2406 g235 ag247 ag706 atRp2407 (dp2408 g1203 (lp2409 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2410 g260 ag247 ag706 atRp2411 (dp2412 g1203 (lp2413 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2414 g235 ag247 ag723 atRp2415 (dp2416 g1203 (lp2417 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2418 g260 ag247 ag723 atRp2419 (dp2420 g1203 (lp2421 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2422 g706 ag247 ag723 atRp2423 (dp2424 g1203 (lp2425 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2426 g260 ag272 ag670 atRp2427 (dp2428 g1203 (lp2429 S':' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2430 g284 ag272 ag670 atRp2431 (dp2432 g1203 (lp2433 S':' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2434 g296 ag310 ag323 atRp2435 (dp2436 g1203 (lp2437 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2438 g296 ag310 ag340 atRp2439 (dp2440 g1203 (lp2441 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2442 g323 ag310 ag340 atRp2443 (dp2444 g1203 (lp2445 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2446 g296 ag310 ag356 atRp2447 (dp2448 g1203 (lp2449 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2450 g323 ag310 ag356 atRp2451 (dp2452 g1203 (lp2453 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2454 g340 ag310 ag356 atRp2455 (dp2456 g1203 (lp2457 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2458 g402 ag415 ag428 atRp2459 (dp2460 g1203 (lp2461 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2462 g402 ag415 ag444 atRp2463 (dp2464 g1203 (lp2465 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2466 g428 ag415 ag444 atRp2467 (dp2468 g1203 (lp2469 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2470 g402 ag415 ag460 atRp2471 (dp2472 g1203 (lp2473 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2474 g428 ag415 ag460 atRp2475 (dp2476 g1203 (lp2477 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2478 g444 ag415 ag460 atRp2479 (dp2480 g1203 (lp2481 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2482 g504 ag517 ag530 atRp2483 (dp2484 g1203 (lp2485 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2486 g504 ag517 ag546 atRp2487 (dp2488 g1203 (lp2489 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2490 g530 ag517 ag546 atRp2491 (dp2492 g1203 (lp2493 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2494 g504 ag517 ag562 atRp2495 (dp2496 g1203 (lp2497 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2498 g530 ag517 ag562 atRp2499 (dp2500 g1203 (lp2501 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2502 g546 ag517 ag562 atRp2503 (dp2504 g1203 (lp2505 S'-' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2506 g260 ag594 ag606 atRp2507 (dp2508 g1203 (lp2509 S':' aS'-' asg1206 I00 sbag1 (g1199 g3 (lp2510 g492 ag594 ag606 atRp2511 (dp2512 g1203 (lp2513 S':' aS'-' asg1206 I00 sbatRp2514 sS'all_rings' p2515 (lp2516 (lp2517 S'1' aS'2' aS'3' aS'5' aS'6' aS'8' aa(lp2518 S'10' p2519 aS'11' p2520 aS'12' p2521 aS'15' p2522 aS'18' p2523 aS'21' p2524 aasS'planes' p2525 (lp2526 sS'UseRestraintValues' p2527 I01 sS'planar_indices' p2528 (dp2529 (I10 I11 I12 I15 I18 I21 tp2530 I01 s(I1 I2 I3 I5 I6 I8 tp2531 I01 ssS'ring_closure_atoms' p2532 I01 sS'external_conect_atoms' p2533 (lp2534 sS'amine_class' p2535 g1 (g848 g3 (lp2536 g1869 ag1483 ag1873 ag1487 ag1881 ag1503 ag1885 ag1507 atRp2537 (dp2538 g851 g1 (g852 g853 (dtRp2539 (dp2540 g856 Nsg857 (dp2541 sg859 I00 sg860 (lp2542 sg862 (dp2543 sbsbsS'linear_angle_tolerance' p2544 I10 sS'OriginalFormat' p2545 g1 (celbow.formats.FormatClass FormatClass p2546 g853 (dp2547 S'atom_names' p2548 I01 sS'smiles' p2549 I00 sS'bond_connections_optional' p2550 I01 sS'bond_orders' p2551 I00 sS'bond_orders_optional' p2552 I00 sS'bond_connections' p2553 I00 sS'xyz_coordinates' p2554 I01 sS'xyz_coordinates_optional' p2555 I00 stRp2556 (dp2557 S'format' p2558 S'PDB' p2559 sbsS'WriteCIF2String_defaults' p2560 (lp2561 I00 aI01 ag828 aS'' aI00 aI01 aI00 aS'retain' p2562 aI00 aI01 aI01 a(I4 I3 I2 tp2563 aI00 aNaI01 a(lp2564 a(lp2565 a(lp2566 a(lp2567 aI00 aI00 asS'rotation_step' p2568 I10 sS'RestraintWeights' p2569 (dp2570 S'LoopClass' p2571 (dp2572 S'angle' p2573 F0.25 sS'bond' p2574 I50 ssS'GetCCTBXRestraints' p2575 (dp2576 g2573 F1 sg2574 F100 ssS'ZMatrixClass' p2577 (dp2578 g2573 I10 sg2574 F100 ssS'AdjustRestraintClass' p2579 (dp2580 S'ring_planar' p2581 F0.10000000000000001 sS'aromatic_bond' p2582 F100 sg2573 F1.5 sg118 F50 sS'loose_angle' p2583 F0.25 sS'non_ring_planar' p2584 F0.20000000000000001 ssS'RingClass' p2585 (dp2586 S'flatness' p2587 F10 sg2573 F2 sS'non_aromatic' p2588 F10 sS'chair_boat' p2589 F1 sg2574 F200 ssS'ChiralClass' p2590 (dp2591 g2574 F100 sssS'EnergyTerms' p2592 NsS'zmatrix_class' p2593 g1 (g914 g3 (lp2594 g1 (g916 g3 (lp2595 g5 atRp2596 (dp2597 g920 I2 sg921 I6 sg922 I01 sg923 (lp2598 I01 aI01 aI01 asg925 I01 sg926 I4 sg927 Nsbag1 (g916 g3 (lp2599 g39 ag5 aF1.3483204820867936 atRp2600 (dp2601 g920 I2 sg921 I6 sg922 I01 sg923 (lp2602 I01 aI01 aI01 asg925 I01 sg926 I4 sg927 F1.3483204820867936 sbag1 (g916 g3 (lp2603 g52 ag39 aF1.3889512520062388 ag5 aF116.37477820403821 atRp2604 (dp2605 g920 I2 sg921 I6 sg922 I01 sg923 (lp2606 I01 aI01 aI01 asg925 I01 sg926 I4 sg927 F1.3889512520062388 sbag1 (g916 g3 (lp2607 g64 ag52 aF1.3843771488397523 ag39 aF118.93394616461657 ag5 aF177.39484910248794 atRp2608 (dp2609 g920 I2 sg921 I6 sg922 I01 sg923 (lp2610 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.3843771488397523 sbag1 (g916 g3 (lp2611 g158 ag52 aF1.401768096175767 ag39 aF122.43677135064692 ag5 aF-3.5118929077701271 atRp2612 (dp2613 g920 I2 sg921 I6 sg922 I01 sg923 (lp2614 I01 aI01 aI01 asg925 I01 sg926 I4 sg927 F1.401768096175767 sbag1 (g916 g3 (lp2615 g170 ag158 aF1.4023739719634731 ag52 aF117.39817491411539 ag39 aF5.9770156111302857 atRp2616 (dp2617 g920 I2 sg921 I6 sg922 I01 sg923 (lp2618 I01 aI01 aI01 asg925 I01 sg926 I4 sg927 F1.4023739719634731 sbag1 (g916 g3 (lp2619 g182 ag170 aF1.3747524608659023 ag158 aF113.15763354760404 ag52 aF177.898894245913 atRp2620 (dp2621 g920 I2 sg921 I6 sg922 I01 sg923 (lp2622 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.3747524608659023 sbag1 (g916 g3 (lp2623 g235 ag170 aF1.4458548356721614 ag158 aF122.88032109055297 ag52 aF-1.9771049191893588 atRp2624 (dp2625 g920 I2 sg921 I6 sg922 I01 sg923 (lp2626 I01 aI01 aI01 asg925 I01 sg926 I4 sg927 F1.4458548356721614 sbag1 (g916 g3 (lp2627 g247 ag235 aF1.5367915128348808 ag5 aF120.20017566858573 ag39 aF-174.48082901828877 atRp2628 (dp2629 g920 I2 sg921 I6 sg922 I01 sg923 (lp2630 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.5367915128348808 sbag1 (g916 g3 (lp2631 g260 ag247 aF1.566020708108069 ag235 aF118.80352574514028 ag5 aF27.973630018046133 atRp2632 (dp2633 g920 I2 sg921 I6 sg922 I01 sg923 (lp2634 I01 aI01 aI01 asg925 I01 sg926 I4 sg927 F1.566020708108069 sbag1 (g916 g3 (lp2635 g272 ag260 aF1.4107284594577363 ag247 aF122.51585631336334 ag235 aF88.644229543592644 atRp2636 (dp2637 g920 I2 sg921 I6 sg922 I01 sg923 (lp2638 I01 aI01 aI01 asg925 I01 sg926 I4 sg927 F1.4107284594577363 sbag1 (g916 g3 (lp2639 g284 ag272 aF1.41521801652178 ag260 aF123.32754950883408 ag247 aF-173.13422308006039 atRp2640 (dp2641 g920 I2 sg921 I6 sg922 I01 sg923 (lp2642 I01 aI01 aI01 asg925 I01 sg926 I4 sg927 F1.41521801652178 sbag1 (g916 g3 (lp2643 g296 ag284 aF1.3901400072229415 ag272 aF119.81366328235902 ag260 aF-178.44571218285324 atRp2644 (dp2645 g920 I2 sg921 I6 sg922 I01 sg923 (lp2646 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.3901400072229415 sbag1 (g916 g3 (lp2647 g310 ag296 aF1.4254698779249393 ag284 aF119.62369937778648 ag272 aF-82.457685759978702 atRp2648 (dp2649 g920 I2 sg921 I6 sg922 I01 sg923 (lp2650 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.4254698779249393 sbag1 (g916 g3 (lp2651 g390 ag284 aF1.4280387430111505 ag272 aF118.99391496519227 ag260 aF-9.2322648598311421 atRp2652 (dp2653 g920 I2 sg921 I6 sg922 I01 sg923 (lp2654 I01 aI01 aI01 asg925 I01 sg926 I4 sg927 F1.4280387430111505 sbag1 (g916 g3 (lp2655 g402 ag390 aF1.375924817899886 ag284 aF120.92840252146402 ag272 aF-168.22331537163885 atRp2656 (dp2657 g920 I2 sg921 I6 sg922 I01 sg923 (lp2658 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.375924817899886 sbag1 (g916 g3 (lp2659 g415 ag402 aF1.4217437925076204 ag390 aF117.96005509138762 ag284 aF-92.4649562785185 atRp2660 (dp2661 g920 I2 sg921 I6 sg922 I01 sg923 (lp2662 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.4217437925076204 sbag1 (g916 g3 (lp2663 g492 ag390 aF1.4272869915493069 ag284 aF118.31856777786921 ag272 aF2.5889934260052079 atRp2664 (dp2665 g920 I2 sg921 I6 sg922 I01 sg923 (lp2666 I01 aI01 aI01 asg925 I01 sg926 I4 sg927 F1.4272869915493069 sbag1 (g916 g3 (lp2667 g504 ag492 aF1.386217644398354 ag390 aF120.12906862641702 ag284 aF-172.90458025413605 atRp2668 (dp2669 g920 I2 sg921 I6 sg922 I01 sg923 (lp2670 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.386217644398354 sbag1 (g916 g3 (lp2671 g517 ag504 aF1.4228980856548075 ag492 aF117.47619400908266 ag390 aF-110.36337804970893 atRp2672 (dp2673 g920 I2 sg921 I6 sg922 I01 sg923 (lp2674 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.4228980856548075 sbag1 (g916 g3 (lp2675 g594 ag492 aF1.4147376562593701 ag390 aF119.91965526653105 ag284 aF2.6055861321394747 atRp2676 (dp2677 g920 I2 sg921 I6 sg922 I01 sg923 (lp2678 I01 aI01 aI01 asg925 I01 sg926 I4 sg927 F1.4147376562593701 sbag1 (g916 g3 (lp2679 g798 ag5 aF1.1007625239151264 ag39 aF112.43506600281189 ag52 aF174.95725743882014 atRp2680 (dp2681 g920 I2 sg921 I6 sg922 I01 sg923 (lp2682 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.1007625239151264 sbag1 (g916 g3 (lp2683 g80 ag64 aF0.99286301986281533 ag52 aF126.06101621481794 ag39 aF171.46118919179537 atRp2684 (dp2685 g920 I2 sg921 I6 sg922 I01 sg923 (lp2686 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F0.99286301986281533 sbag1 (g916 g3 (lp2687 g125 ag64 aF1.0217565216691222 ag52 aF121.82894690227843 ag39 aF-10.009683531588102 atRp2688 (dp2689 g920 I2 sg921 I6 sg922 I01 sg923 (lp2690 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.0217565216691222 sbag1 (g916 g3 (lp2691 g195 ag182 aF1.0034512185532438 ag170 aF126.89392654037397 ag158 aF-2.7628425706596866 atRp2692 (dp2693 g920 I2 sg921 I6 sg922 I01 sg923 (lp2694 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.0034512185532438 sbag1 (g916 g3 (lp2695 g211 ag182 aF1.0118484115493804 ag170 aF121.83130098894934 ag158 aF177.3098301844131 atRp2696 (dp2697 g920 I2 sg921 I6 sg922 I01 sg923 (lp2698 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.0118484115493804 sbag1 (g916 g3 (lp2699 g706 ag247 aF1.1117222683347152 ag235 aF109.26973498789918 ag5 aF154.29794264349289 atRp2700 (dp2701 g920 I2 sg921 I6 sg922 I01 sg923 (lp2702 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.1117222683347152 sbag1 (g916 g3 (lp2703 g723 ag247 aF1.1233510857937512 ag235 aF109.90289906081804 ag5 aF-99.469062084961479 atRp2704 (dp2705 g920 I2 sg921 I6 sg922 I01 sg923 (lp2706 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.1233510857937512 sbag1 (g916 g3 (lp2707 g670 ag272 aF1.1002383992615048 ag260 aF118.5204831201338 ag247 aF12.200168398027637 atRp2708 (dp2709 g920 I2 sg921 I6 sg922 I01 sg923 (lp2710 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.1002383992615048 sbag1 (g916 g3 (lp2711 g323 ag310 aF1.0973556212302162 ag296 aF114.84352676123017 ag284 aF51.545432970913652 atRp2712 (dp2713 g920 I2 sg921 I6 sg922 I01 sg923 (lp2714 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.0973556212302162 sbag1 (g916 g3 (lp2715 g340 ag310 aF1.1001462888806655 ag296 aF113.4907309964949 ag284 aF-74.23070015560846 atRp2716 (dp2717 g920 I2 sg921 I6 sg922 I01 sg923 (lp2718 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.1001462888806655 sbag1 (g916 g3 (lp2719 g356 ag310 aF1.118759313773644 ag296 aF112.28971471911767 ag284 aF170.34234130686937 atRp2720 (dp2721 g920 I2 sg921 I6 sg922 I01 sg923 (lp2722 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.118759313773644 sbag1 (g916 g3 (lp2723 g428 ag415 aF1.0929638163555142 ag402 aF114.63927207695552 ag390 aF-7.6030927725858461 atRp2724 (dp2725 g920 I2 sg921 I6 sg922 I01 sg923 (lp2726 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.0929638163555142 sbag1 (g916 g3 (lp2727 g444 ag415 aF1.106917556841184 ag402 aF112.39670592711711 ag390 aF115.33074423048515 atRp2728 (dp2729 g920 I2 sg921 I6 sg922 I01 sg923 (lp2730 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.106917556841184 sbag1 (g916 g3 (lp2731 g460 ag415 aF1.1092106737346219 ag402 aF111.84264741906514 ag390 aF-129.76978459041939 atRp2732 (dp2733 g920 I2 sg921 I6 sg922 I01 sg923 (lp2734 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.1092106737346219 sbag1 (g916 g3 (lp2735 g530 ag517 aF1.1148879455460246 ag504 aF111.63055233345517 ag492 aF171.16023016422216 atRp2736 (dp2737 g920 I2 sg921 I6 sg922 I01 sg923 (lp2738 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.1148879455460246 sbag1 (g916 g3 (lp2739 g546 ag517 aF1.097004050845086 ag504 aF113.2525779306703 ag492 aF53.399149008927175 atRp2740 (dp2741 g920 I2 sg921 I6 sg922 I01 sg923 (lp2742 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.097004050845086 sbag1 (g916 g3 (lp2743 g562 ag517 aF1.1020911561224058 ag504 aF114.82798668022868 ag492 aF-71.031334541291869 atRp2744 (dp2745 g920 I2 sg921 I6 sg922 I01 sg923 (lp2746 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.1020911561224058 sbag1 (g916 g3 (lp2747 g606 ag594 aF1.1002937518875535 ag260 aF118.5930127473417 ag247 aF2.4251668261385961 atRp2748 (dp2749 g920 I2 sg921 I6 sg922 I01 sg923 (lp2750 I01 aI01 aI01 asg925 I00 sg926 I4 sg927 F1.1002937518875535 sbatRp2751 (dp2752 S'use_cctbx' p2753 I01 sg2569 g2570 sS'parent' p2754 g824 sS'bonds' p2755 g1 (g1563 g3 (lp2756 g1 (celbow.chemistry.BondClass BondClass p2757 g3 (lp2758 g5 ag39 atRp2759 (dp2760 S'order_conect' p2761 I1 sg927 F1.3412200000000001 sS'max_atoms' p2762 I2 sg109 S':' sg1203 (lp2763 sg1206 I00 sS'pdb_conect_record' p2764 I01 sg1205 F0.43046642410905001 sS'input_order' p2765 I1 sS'order' p2766 F1.5 sS'must_be' p2767 F1.5 sbag1 (g2757 g3 (lp2768 g5 ag235 atRp2769 (dp2770 g2761 I2 sg927 F1.386045 sg2762 I2 sg109 S':' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.46019013577186646 sg2765 I1 sg2766 F1.5 sg2767 F1.5 sbag1 (g2757 g3 (lp2771 g39 ag52 atRp2772 (dp2773 g2761 I2 sg927 F1.3412200000000001 sg2762 I2 sg109 S':' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.41454397149187838 sg2765 I1 sg2766 F1.5 sg2767 F1.5 sbag1 (g2757 g3 (lp2774 g52 ag64 atRp2775 (dp2776 g927 F1.418744 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.40879542169342808 sg2765 I1 sg2766 I1 sg2767 I1 sbag1 (g2757 g3 (lp2777 g52 ag158 atRp2778 (dp2779 g2761 I1 sg927 F1.3412200000000001 sg2762 I2 sg109 S':' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.44377688484175704 sg2765 I1 sg2766 F1.5 sg2767 F1.5 sbag1 (g2757 g3 (lp2780 g158 ag170 atRp2781 (dp2782 g2761 I2 sg927 F1.3412200000000001 sg2762 I2 sg109 S':' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.43272533489017595 sg2765 I1 sg2766 F1.5 sg2767 F1.5 sbag1 (g2757 g3 (lp2783 g170 ag182 atRp2784 (dp2785 g927 F1.418744 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.41265590230518295 sg2765 I1 sg2766 I1 sg2767 I1 sbag1 (g2757 g3 (lp2786 g170 ag235 atRp2787 (dp2788 g2761 I1 sg927 F1.386045 sg2762 I2 sg109 S':' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.43332306446717395 sg2765 I1 sg2766 F1.5 sg2767 F1.5 sbag1 (g2757 g3 (lp2789 g235 ag247 atRp2790 (dp2791 g927 F1.512885 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.37137424825292936 sg2765 I1 sg2766 I1 sg2767 I1 sbag1 (g2757 g3 (lp2792 g247 ag260 atRp2793 (dp2794 g927 F1.512885 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.34764150461772431 sg2765 I1 sg2766 I1 sg2767 I1 sbag1 (g2757 g3 (lp2795 g260 ag272 atRp2796 (dp2797 g2761 I1 sg927 F1.386045 sg2762 I2 sg109 S':' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.45367801428210125 sg2765 I1 sg2766 F1.5 sg2767 F1.5 sbag1 (g2757 g3 (lp2798 g260 ag594 atRp2799 (dp2800 g2761 I2 sg927 F1.386045 sg2762 I2 sg109 S':' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.46126422100718201 sg2765 I1 sg2766 F1.5 sg2767 F1.5 sbag1 (g2757 g3 (lp2801 g272 ag284 atRp2802 (dp2803 g2761 I2 sg927 F1.386045 sg2762 I2 sg109 S':' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.45537900327150443 sg2765 I1 sg2766 F1.5 sg2767 F1.5 sbag1 (g2757 g3 (lp2804 g284 ag296 atRp2805 (dp2806 g927 F1.4050020000000001 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.38100248940555387 sg2765 I1 sg2766 I1 sg2767 I1 sbag1 (g2757 g3 (lp2807 g284 ag390 atRp2808 (dp2809 g2761 I1 sg927 F1.386045 sg2762 I2 sg109 S':' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.45539992587205075 sg2765 I1 sg2766 F1.5 sg2767 F1.5 sbag1 (g2757 g3 (lp2810 g296 ag310 atRp2811 (dp2812 g927 F1.4050020000000001 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.36368883395450136 sg2765 I1 sg2766 I1 sbag1 (g2757 g3 (lp2813 g390 ag402 atRp2814 (dp2815 g927 F1.4050020000000001 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.39224574041335181 sg2765 I1 sg2766 I1 sg2767 I1 sbag1 (g2757 g3 (lp2816 g390 ag492 atRp2817 (dp2818 g2761 I2 sg927 F1.386045 sg2762 I2 sg109 S':' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.45707534428824675 sg2765 I1 sg2766 F1.5 sg2767 F1.5 sbag1 (g2757 g3 (lp2819 g402 ag415 atRp2820 (dp2821 g927 F1.4050020000000001 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.36712281851567929 sg2765 I1 sg2766 I1 sbag1 (g2757 g3 (lp2822 g492 ag504 atRp2823 (dp2824 g927 F1.4050020000000001 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.37980813747379177 sg2765 I1 sg2766 I1 sg2767 I1 sbag1 (g2757 g3 (lp2825 g492 ag594 atRp2826 (dp2827 g2761 I1 sg927 F1.386045 sg2762 I2 sg109 S':' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.45848342117021212 sg2765 I1 sg2766 F1.5 sg2767 F1.5 sbag1 (g2757 g3 (lp2828 g504 ag517 atRp2829 (dp2830 g927 F1.4050020000000001 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg2764 I01 sg1205 F0.3634766600876318 sg2765 I1 sg2766 I1 sbag1 (g2757 g3 (lp2831 g798 ag5 atRp2832 (dp2833 g927 F0.97614500000000004 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg1205 F0.35018014575003648 sg2765 I1 sg2766 I1 sbag1 (g2757 g3 (lp2834 g80 ag64 atRp2835 (dp2836 g927 F0.911999 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg1205 F0.3495457461203535 sg2765 I1 sg2766 I1 sbag1 (g2757 g3 (lp2837 g125 ag64 atRp2838 (dp2839 g927 F0.911999 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg1205 F0.3933669700884086 sg2765 I1 sg2766 I1 sbag1 (g2757 g3 (lp2840 g195 ag182 atRp2841 (dp2842 g927 F0.911999 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg1205 F0.34678221094120321 sg2765 I1 sg2766 I1 sbag1 (g2757 g3 (lp2843 g211 ag182 atRp2844 (dp2845 g927 F0.911999 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg1205 F0.3966469251194677 sg2765 I1 sg2766 I1 sbag1 (g2757 g3 (lp2846 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I1 sbag1 (g2757 g3 (lp2864 g428 ag415 atRp2865 (dp2866 g927 F0.97614500000000004 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg1205 F0.34734890130970864 sg2765 I1 sg2766 I1 sbag1 (g2757 g3 (lp2867 g444 ag415 atRp2868 (dp2869 g927 F0.97614500000000004 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg1205 F0.33252170804054154 sg2765 I1 sg2766 I1 sbag1 (g2757 g3 (lp2870 g460 ag415 atRp2871 (dp2872 g927 F0.97614500000000004 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg1205 F0.33125058164192467 sg2765 I1 sg2766 I1 sbag1 (g2757 g3 (lp2873 g530 ag517 atRp2874 (dp2875 g927 F0.97614500000000004 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg1205 F0.32557535649387753 sg2765 I1 sg2766 I1 sbag1 (g2757 g3 (lp2876 g546 ag517 atRp2877 (dp2878 g927 F0.97614500000000004 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg1205 F0.34405951602360335 sg2765 I1 sg2766 I1 sbag1 (g2757 g3 (lp2879 g562 ag517 atRp2880 (dp2881 g927 F0.97614500000000004 sg2762 I2 sg109 S'-' sg1203 g2763 sg1206 I00 sg1205 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g170 ag235 ag247 ag260 atRp3235 (dp3236 g1203 (lp3237 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3238 g296 ag284 ag272 ag260 atRp3239 (dp3240 g1203 (lp3241 S'-' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3242 g390 ag284 ag272 ag260 atRp3243 (dp3244 g1203 (lp3245 S':' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3246 g390 ag492 ag594 ag260 atRp3247 (dp3248 g1203 (lp3249 S':' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3250 g504 ag492 ag594 ag260 atRp3251 (dp3252 g1203 (lp3253 S'-' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3254 g235 ag247 ag260 ag272 atRp3255 (dp3256 g1203 (lp3257 S'-' aS'-' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3258 g492 ag594 ag260 ag272 atRp3259 (dp3260 g1203 (lp3261 S':' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3262 g310 ag296 ag284 ag272 atRp3263 (dp3264 g1203 (lp3265 S'-' aS'-' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3266 g402 ag390 ag284 ag272 atRp3267 (dp3268 g1203 (lp3269 S'-' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3270 g492 ag390 ag284 ag272 atRp3271 (dp3272 g1203 (lp3273 S':' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3274 g247 ag260 ag272 ag284 atRp3275 (dp3276 g1203 (lp3277 S'-' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3278 g594 ag260 ag272 ag284 atRp3279 (dp3280 g1203 (lp3281 S':' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3282 g415 ag402 ag390 ag284 atRp3283 (dp3284 g1203 (lp3285 S'-' aS'-' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3286 g504 ag492 ag390 ag284 atRp3287 (dp3288 g1203 (lp3289 S'-' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3290 g594 ag492 ag390 ag284 atRp3291 (dp3292 g1203 (lp3293 S':' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3294 g260 ag272 ag284 ag296 atRp3295 (dp3296 g1203 (lp3297 S':' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3298 g402 ag390 ag284 ag296 atRp3299 (dp3300 g1203 (lp3301 S'-' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3302 g492 ag390 ag284 ag296 atRp3303 (dp3304 g1203 (lp3305 S':' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3306 g272 ag284 ag296 ag310 atRp3307 (dp3308 g1203 (lp3309 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3310 g390 ag284 ag296 ag310 atRp3311 (dp3312 g1203 (lp3313 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3314 g260 ag272 ag284 ag390 atRp3315 (dp3316 g1203 (lp3317 S':' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3318 g310 ag296 ag284 ag390 atRp3319 (dp3320 g1203 (lp3321 S'-' aS'-' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3322 g517 ag504 ag492 ag390 atRp3323 (dp3324 g1203 (lp3325 S'-' aS'-' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3326 g260 ag594 ag492 ag390 atRp3327 (dp3328 g1203 (lp3329 S':' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3330 g272 ag284 ag390 ag402 atRp3331 (dp3332 g1203 (lp3333 S':' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3334 g296 ag284 ag390 ag402 atRp3335 (dp3336 g1203 (lp3337 S'-' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3338 g504 ag492 ag390 ag402 atRp3339 (dp3340 g1203 (lp3341 S'-' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3342 g594 ag492 ag390 ag402 atRp3343 (dp3344 g1203 (lp3345 S':' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3346 g284 ag390 ag402 ag415 atRp3347 (dp3348 g1203 (lp3349 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3350 g492 ag390 ag402 ag415 atRp3351 (dp3352 g1203 (lp3353 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3354 g272 ag284 ag390 ag492 atRp3355 (dp3356 g1203 (lp3357 S':' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3358 g296 ag284 ag390 ag492 atRp3359 (dp3360 g1203 (lp3361 S'-' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3362 g415 ag402 ag390 ag492 atRp3363 (dp3364 g1203 (lp3365 S'-' aS'-' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3366 g247 ag260 ag594 ag492 atRp3367 (dp3368 g1203 (lp3369 S'-' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3370 g272 ag260 ag594 ag492 atRp3371 (dp3372 g1203 (lp3373 S':' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3374 g284 ag390 ag492 ag504 atRp3375 (dp3376 g1203 (lp3377 S':' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3378 g402 ag390 ag492 ag504 atRp3379 (dp3380 g1203 (lp3381 S'-' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3382 g260 ag594 ag492 ag504 atRp3383 (dp3384 g1203 (lp3385 S':' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3386 g390 ag492 ag504 ag517 atRp3387 (dp3388 g1203 (lp3389 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3390 g594 ag492 ag504 ag517 atRp3391 (dp3392 g1203 (lp3393 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3394 g235 ag247 ag260 ag594 atRp3395 (dp3396 g1203 (lp3397 S'-' aS'-' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3398 g284 ag272 ag260 ag594 atRp3399 (dp3400 g1203 (lp3401 S':' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3402 g284 ag390 ag492 ag594 atRp3403 (dp3404 g1203 (lp3405 S':' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3406 g402 ag390 ag492 ag594 atRp3407 (dp3408 g1203 (lp3409 S'-' aS':' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3410 g517 ag504 ag492 ag594 atRp3411 (dp3412 g1203 (lp3413 S'-' aS'-' aS':' asg1206 I00 sbag1 (g1253 g3 (lp3414 g52 ag39 ag5 ag798 atRp3415 (dp3416 g1203 (lp3417 S':' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3418 g170 ag235 ag5 ag798 atRp3419 (dp3420 g1203 (lp3421 S':' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3422 g247 ag235 ag5 ag798 atRp3423 (dp3424 g1203 (lp3425 S'-' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3426 g39 ag52 ag64 ag80 atRp3427 (dp3428 g1203 (lp3429 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3430 g158 ag52 ag64 ag80 atRp3431 (dp3432 g1203 (lp3433 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3434 g39 ag52 ag64 ag125 atRp3435 (dp3436 g1203 (lp3437 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3438 g158 ag52 ag64 ag125 atRp3439 (dp3440 g1203 (lp3441 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3442 g158 ag170 ag182 ag195 atRp3443 (dp3444 g1203 (lp3445 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3446 g235 ag170 ag182 ag195 atRp3447 (dp3448 g1203 (lp3449 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3450 g158 ag170 ag182 ag211 atRp3451 (dp3452 g1203 (lp3453 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3454 g235 ag170 ag182 ag211 atRp3455 (dp3456 g1203 (lp3457 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3458 g5 ag235 ag247 ag706 atRp3459 (dp3460 g1203 (lp3461 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3462 g170 ag235 ag247 ag706 atRp3463 (dp3464 g1203 (lp3465 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3466 g272 ag260 ag247 ag706 atRp3467 (dp3468 g1203 (lp3469 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3470 g594 ag260 ag247 ag706 atRp3471 (dp3472 g1203 (lp3473 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3474 g5 ag235 ag247 ag723 atRp3475 (dp3476 g1203 (lp3477 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3478 g170 ag235 ag247 ag723 atRp3479 (dp3480 g1203 (lp3481 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3482 g272 ag260 ag247 ag723 atRp3483 (dp3484 g1203 (lp3485 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3486 g594 ag260 ag247 ag723 atRp3487 (dp3488 g1203 (lp3489 S':' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3490 g247 ag260 ag272 ag670 atRp3491 (dp3492 g1203 (lp3493 S'-' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3494 g594 ag260 ag272 ag670 atRp3495 (dp3496 g1203 (lp3497 S':' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3498 g296 ag284 ag272 ag670 atRp3499 (dp3500 g1203 (lp3501 S'-' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3502 g390 ag284 ag272 ag670 atRp3503 (dp3504 g1203 (lp3505 S':' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3506 g284 ag296 ag310 ag323 atRp3507 (dp3508 g1203 (lp3509 S'-' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3510 g284 ag296 ag310 ag340 atRp3511 (dp3512 g1203 (lp3513 S'-' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3514 g284 ag296 ag310 ag356 atRp3515 (dp3516 g1203 (lp3517 S'-' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3518 g390 ag402 ag415 ag428 atRp3519 (dp3520 g1203 (lp3521 S'-' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3522 g390 ag402 ag415 ag444 atRp3523 (dp3524 g1203 (lp3525 S'-' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3526 g390 ag402 ag415 ag460 atRp3527 (dp3528 g1203 (lp3529 S'-' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3530 g492 ag504 ag517 ag530 atRp3531 (dp3532 g1203 (lp3533 S'-' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3534 g492 ag504 ag517 ag546 atRp3535 (dp3536 g1203 (lp3537 S'-' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3538 g492 ag504 ag517 ag562 atRp3539 (dp3540 g1203 (lp3541 S'-' aS'-' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3542 g247 ag260 ag594 ag606 atRp3543 (dp3544 g1203 (lp3545 S'-' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3546 g272 ag260 ag594 ag606 atRp3547 (dp3548 g1203 (lp3549 S':' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3550 g390 ag492 ag594 ag606 atRp3551 (dp3552 g1203 (lp3553 S':' aS':' aS'-' asg1206 I00 sbag1 (g1253 g3 (lp3554 g504 ag492 ag594 ag606 atRp3555 (dp3556 g1203 (lp3557 S'-' aS':' aS'-' asg1206 I00 sbatRp3558 sS'input_data' p3559 g842 sg851 g1 (g852 g853 (dp3560 I1 (F0.064108112633433106 F0.057296138912217173 F0.020004880124436533 tp3561 sI2 (F1.4036075697360344 F0.016529492879084416 F0.066434926043038009 tp3562 sI3 (F2.04554325294015 F-0.053556116465903386 F1.2181686328063346 tp3563 sI4 (F3.4655202594406767 F-0.073337848622805749 F1.2066279367011297 tp3564 sI5 (F1.421391733259362 F-0.087538556903679648 F2.3802337080024984 tp3565 sI6 (F0.081175252652091454 F-0.050338758857031998 F2.4139579631972414 tp3566 sI7 (F-0.59242734835274291 F-0.13133584070425869 F3.6610502942848147 tp3567 sI8 (F-0.66548760209080327 F0.024535675292393175 F1.2227835961021085 tp3568 sI9 (F-2.1785115503247772 F0.0083556619969909103 F1.2326787535880495 tp3569 sI10 (F-2.6979453297289568 F0.60178554276622143 F-0.058914863441759426 tp3570 sI11 (F-3.1700249572048582 F1.9051335849907476 F-0.080453610284277388 tp3571 sI12 (F-3.7404228320076838 F2.4168507750301833 F-1.2353347705001878 tp3572 sI13 (F-4.2718142494286688 F3.7174917475379048 F-1.2388985631113458 tp3573 sI14 (F-3.7994694436348881 F4.5303913993621885 F-0.18740987610704427 tp3574 sI15 (F-3.8389431634758804 F1.6255656500178473 F-2.3689268604016771 tp3575 sI16 (F-4.4725411363775516 F2.1241876820457319 F-3.5204174399506578 tp3576 sI17 (F-3.5826360448182295 F2.6545673296660071 F-4.4778239524860073 tp3577 sI18 (F-3.367007079299849 F0.32242946094528729 F-2.3476033756779482 tp3578 s(I11 I10 I21 tp3579 (lp3580 F119.99999999999999 aF2 as(I18 I19 tp3581 (lp3582 F1.4050020000000001 aF100 asI21 (F-2.7966299597772646 F-0.18934865686280178 F-1.1928444109503031 tp3583 sI22 (F-47.853430337718791 F-95.730783062653003 F12.934164603121978 tp3584 sI23 (F35.990812481314421 F-41.998509216575222 F-10.450287991762004 tp3585 sI24 (F88.737781657330615 F30.835986351978594 F-57.365892462048208 tp3586 sI25 (F-77.303602745910439 F-79.230576431331173 F15.994637564746192 tp3587 sI26 (F-68.880339960257544 F-52.761441319187469 F97.577270616443784 tp3588 sI27 (F-70.312827169332351 F26.050283506059721 F-31.446686709434026 tp3589 sI28 (F95.035330628184909 F62.539686943717626 F-62.960304762724249 tp3590 sI29 (F63.831148762409548 F-87.338340576158387 F-33.585566419336466 tp3591 sI30 (F-70.657275848012262 F17.732981629606059 F53.386463375182075 tp3592 sI31 (F-102.42002371644077 F43.756771429606324 F-66.87990393289013 tp3593 sI32 (F5.6557048589734631 F-84.798068089321646 F47.243860288130115 tp3594 sI33 (F-93.586749050543233 F21.807847295620878 F-4.9175334986703296 tp3595 sI34 (F-62.573934308805036 F-97.030863241978437 F24.575110545552409 tp3596 sI35 (F-18.772655644164303 F-34.711334073810441 F-71.793704600506047 tp3597 sI36 (F8.279640967418894 F-80.610176309520824 F77.89756347279598 tp3598 sI37 (F10.247123298109184 F51.673900862994927 F58.585447597035731 tp3599 sI38 (F-24.070327862989149 F-55.621710983000177 F-4.859427566585989 tp3600 sI39 (F57.991889928512769 F-70.56808024414579 F-19.401704878947331 tp3601 s(I5 I3 tp3602 (lp3603 F1.3412200000000001 aF100 as(I11 I10 I21 I18 tp3604 (lp3605 F0 aF10 aI0 as(I33 I17 I16 tp3606 (lp3607 F109.47122063449069 aF1 as(I3 I2 tp3608 (lp3609 F1.3412200000000001 aF100 as(I5 I3 I2 I1 tp3610 (lp3611 F0 aF10 aI0 as(I2 I1 I8 I6 tp3612 (lp3613 F0 aF10 aI0 as(I30 I14 tp3614 (lp3615 F0.97614500000000004 aF100 as(I6 I5 I3 tp3616 (lp3617 F119.62228607243179 aF2 as(I29 I11 tp3618 (lp3619 F0.97614500000000004 aF100 as(I12 I11 tp3620 (lp3621 F1.386045 aF100 as(I5 I3 I2 tp3622 (lp3623 F122.6748750688363 aF2 as(I24 I4 tp3624 (lp3625 F0.911999 aF100 as(I21 I18 tp3626 (lp3627 F1.386045 aF100 as(I1 I8 I6 tp3628 (lp3629 F116.69266707404051 aF2 as(I29 I11 I10 tp3630 (lp3631 F120 aF1 as(I24 I4 I3 tp3632 (lp3633 F120 aF1 as(I38 I20 tp3634 (lp3635 F0.97614500000000004 aF100 as(I1 I8 I6 I5 tp3636 (lp3637 F0 aF10 aI0 as(I21 I18 I15 I12 tp3638 (lp3639 F0 aF10 aI0 asI19 (F-3.5013872326850306 F-0.49159362807229878 F-3.48444683283696 tp3640 s(I39 I21 I18 I15 tp3641 (lp3642 F180 aF1 aI0 asI20 (F-3.2160097002252943 F-1.8528398595407241 F-3.2492616761980031 tp3643 s(I15 I16 tp3644 (lp3645 F1.4050020000000001 aF100 as(I32 I14 I30 tp3646 (lp3647 F109.47122063449069 aF1 as(I5 I3 I4 tp3648 (lp3649 F118.66256246558186 aF1 as(I18 I15 tp3650 (lp3651 F1.386045 aF100 as(I29 I11 I12 tp3652 (lp3653 F120 aF1 as(I4 I3 I2 tp3654 (lp3655 F118.66256246558186 aF1 as(I8 I9 tp3656 (lp3657 F1.512885 aF100 as(I37 I20 I19 tp3658 (lp3659 F109.47122063449069 aF1 as(I11 I10 I9 tp3660 (lp3661 F120 aF1 as(I17 I16 I15 tp3662 (lp3663 F113.89 aF1 as(I12 I13 tp3664 (lp3665 F1.4050020000000001 aF100 as(I19 I18 I15 tp3666 (lp3667 F120 aF1 as(I26 I7 I25 tp3668 (lp3669 F120 aF1 as(I31 I14 I30 tp3670 (lp3671 F109.47122063449069 aF1 as(I18 I15 I12 I11 tp3672 (lp3673 F0 aF10 aI0 as(I26 I7 tp3674 (lp3675 F0.911999 aF100 as(I8 I6 tp3676 (lp3677 F1.386045 aF100 as(I9 I8 I1 tp3678 (lp3679 F121.65366646297974 aF1 as(I15 I12 tp3680 (lp3681 F1.386045 aF100 as(I10 I21 I18 I15 tp3682 (lp3683 F0 aF10 aI0 as(I35 I17 I16 tp3684 (lp3685 F109.47122063449069 aF1 as(I38 I20 I37 tp3686 (lp3687 F109.47122063449069 aF1 as(I21 I18 I19 tp3688 (lp3689 F120 aF1 as(I13 I12 I11 tp3690 (lp3691 F120 aF1 as(I6 I7 tp3692 (lp3693 F1.418744 aF100 as(I28 I9 I27 tp3694 (lp3695 F109.47122063449069 aF1 as(I30 I14 I13 tp3696 (lp3697 F109.47122063449069 aF1 as(I31 I14 tp3698 (lp3699 F0.97614500000000004 aF100 as(I24 I4 I23 tp3700 (lp3701 F120 aF1 as(I23 I4 I3 tp3702 (lp3703 F120 aF1 as(I8 I6 I5 tp3704 (lp3705 F120.66760702037723 aF2 as(I32 I14 I13 tp3706 (lp3707 F109.47122063449069 aF1 as(I36 I20 tp3708 (lp3709 F0.97614500000000004 aF100 as(I39 I21 I18 tp3710 (lp3711 F120 aF1 as(I8 I6 I7 tp3712 (lp3713 F119.66619648981138 aF1 as(I18 I15 I16 tp3714 (lp3715 F120 aF1 as(I22 I1 I2 I3 tp3716 (lp3717 F180 aF1 aI0 as(I38 I20 I19 tp3718 (lp3719 F109.47122063449069 aF1 as(I16 I17 tp3720 (lp3721 F1.4050020000000001 aF100 as(I9 I8 I6 tp3722 (lp3723 F121.65366646297974 aF1 as(I26 I7 I6 tp3724 (lp3725 F120 aF1 as(I33 I17 tp3726 (lp3727 F0.97614500000000004 aF100 as(I22 I1 I8 tp3728 (lp3729 F120.41433991171962 aF1 as(I10 I9 I8 tp3730 (lp3731 F109.47122063449069 aF1 as(I20 I19 I18 tp3732 (lp3733 F113.89 aF1 as(I34 I17 I16 tp3734 (lp3735 F109.47122063449069 aF1 as(I25 I7 I6 tp3736 (lp3737 F120 aF1 as(I3 I2 I1 tp3738 (lp3739 F121.17124458775341 aF2 as(I25 I7 tp3740 (lp3741 F0.911999 aF100 as(I35 I17 I33 tp3742 (lp3743 F109.47122063449069 aF1 as(I28 I9 I8 tp3744 (lp3745 F109.47122063449069 aF1 as(I22 I1 I2 tp3746 (lp3747 F120.41433991171962 aF1 as(I27 I9 tp3748 (lp3749 F0.97614500000000004 aF100 as(I6 I5 tp3750 (lp3751 F1.3412200000000001 aF100 as(I21 I18 I15 tp3752 (lp3753 F120.00000000000001 aF2 as(I14 I13 I12 tp3754 (lp3755 F113.89 aF1 as(I28 I9 I10 tp3756 (lp3757 F109.47122063449069 aF1 as(I38 I20 I36 tp3758 (lp3759 F109.47122063449069 aF1 as(I21 I10 tp3760 (lp3761 F1.386045 aF100 as(I36 I20 I19 tp3762 (lp3763 F109.47122063449069 aF1 as(I32 I14 I31 tp3764 (lp3765 F109.47122063449069 aF1 as(I22 I1 tp3766 (lp3767 F0.97614500000000004 aF100 as(I3 I4 tp3768 (lp3769 F1.418744 aF100 as(I34 I17 tp3770 (lp3771 F0.97614500000000004 aF100 as(I23 I4 tp3772 (lp3773 F0.911999 aF100 as(I10 I11 tp3774 (lp3775 F1.386045 aF100 as(I8 I6 I5 I3 tp3776 (lp3777 F0 aF10 aI0 as(I10 I21 I18 tp3778 (lp3779 F120.00000000000001 aF2 as(I15 I12 I11 tp3780 (lp3781 F120.00000000000001 aF2 as(I7 I6 I5 tp3782 (lp3783 F119.66619648981138 aF1 as(I39 I21 I10 tp3784 (lp3785 F120 aF1 as(I1 I2 tp3786 (lp3787 F1.3412200000000001 aF100 as(I39 I21 tp3788 (lp3789 F0.97614500000000004 aF100 as(I15 I12 I13 tp3790 (lp3791 F120 aF1 as(I8 I1 tp3792 (lp3793 F1.386045 aF100 as(I32 I14 tp3794 (lp3795 F0.97614500000000004 aF100 as(I2 I1 I8 tp3796 (lp3797 F119.17132017656076 aF2 as(I28 I9 tp3798 (lp3799 F0.97614500000000004 aF100 as(I35 I17 tp3800 (lp3801 F0.97614500000000004 aF100 as(I12 I11 I10 I21 tp3802 (lp3803 F0 aF10 aI0 as(I22 I1 I8 I6 tp3804 (lp3805 F180 aF1 aI0 as(I21 I10 I9 tp3806 (lp3807 F120 aF1 as(I18 I15 I12 tp3808 (lp3809 F120.00000000000001 aF2 as(I15 I12 I11 I10 tp3810 (lp3811 F0 aF10 aI0 as(I35 I17 I34 tp3812 (lp3813 F109.47122063449069 aF1 as(I9 I10 tp3814 (lp3815 F1.512885 aF100 as(I37 I20 tp3816 (lp3817 F0.97614500000000004 aF100 as(I31 I14 I13 tp3818 (lp3819 F109.47122063449069 aF1 as(I27 I9 I10 tp3820 (lp3821 F109.47122063449069 aF1 as(I34 I17 I33 tp3822 (lp3823 F109.47122063449069 aF1 as(I19 I20 tp3824 (lp3825 F1.4050020000000001 aF100 as(I6 I5 I3 I2 tp3826 (lp3827 F0 aF10 aI0 as(I27 I9 I8 tp3828 (lp3829 F109.47122063449069 aF1 as(I12 I11 I10 tp3830 (lp3831 F119.99999999999999 aF2 as(I13 I14 tp3832 (lp3833 F1.4050020000000001 aF100 as(I3 I2 I1 I8 tp3834 (lp3835 F0 aF10 aI0 as(I37 I20 I36 tp3836 (lp3837 F109.47122063449069 aF1 as(I16 I15 I12 tp3838 (lp3839 F120 aF1 astRp3840 (dp3841 g857 (dp3842 I1 I0 sI2 I1 sI3 I2 sI4 I3 sI5 I4 sI6 I5 sI7 I6 sI8 I7 sI9 I8 sI10 I9 sI11 I10 sI12 I11 sI13 I12 sI14 I13 sI15 I14 sI16 I15 sI17 I16 sI18 I17 sI19 I18 sI20 I19 sI21 I20 sI22 I21 sI23 I22 sI24 I23 sI25 I24 sI26 I25 sI27 I26 sI28 I27 sI29 I28 sI30 I29 sI31 I30 sI32 I31 sI33 I32 sI34 I33 sI35 I34 sI36 I35 sI37 I36 sI38 I37 sI39 I38 ssg860 (lp3843 sg2525 (lp3844 (lp3845 g5 ag39 ag52 ag64 ag158 ag170 ag182 ag235 ag247 ag798 aa(lp3846 g247 ag260 ag272 ag284 ag296 ag390 ag402 ag492 ag504 ag594 ag670 ag606 aa(lp3847 g80 ag64 ag52 ag39 ag158 ag125 ag195 ag182 ag170 ag235 ag211 aasg862 (dp3848 sg856 NsS'plane_weights' p3849 (lp3850 F0.02 aF0.02 aF0.02 aF0.02 aF1 asg859 I00 sbsS'electrons' p3851 I154 sS'cctbx_energy_parameters' p3852 (lp3853 F2 aF0.66666666666666663 aF1 aI1 a(I1 I1 I1 I1 tp3854 asS'options' p3855 (ioptik.option_parser Values p3856 (dp3857 S'write_neutron_distances' p3858 I00 sS'chain' p3859 I00 sS'pdb_assign' p3860 Nsg17 I00 sS'mopac' p3861 I00 sS'gdiis' p3862 I01 sS'newton_raphson' p3863 I00 sS'energy_validation' p3864 I00 sS'long_help' p3865 I00 sS'pH' p3866 S'neutral' p3867 sS'opt_nprocs' p3868 I1 sS'xml' p3869 I00 sS'qm_memory' p3870 I1000 sS'final_geometry' p3871 I00 sS'user_opt_output_filename' p3872 I00 sS'db_cmd' p3873 I00 sS'qm_jobs' p3874 I00 sS'user_opt' p3875 I00 sg840 S'RM1' p3876 sS'carry_on_after_bad_pdb' p3877 I00 sS'read_only' p3878 I00 sS'restart' p3879 I00 sS'enumerate_nprocs' p3880 I1 sS'msd' p3881 I00 sg835 I01 sS'data_sheet' p3882 I00 sg838 g839 sS'qm_solvent_model' p3883 S'' sS'ligand_name' p3884 S'' sS'regularise' p3885 I00 sS'connectivity_only' p3886 I00 sS'metal_bond_cutoff' p3887 NsS'user_opt_xyz_filename' p3888 I00 sS'sdf' p3889 I00 sS'overlay_geometry' p3890 I00 sS'tripos' p3891 I00 sS'reel' p3892 I00 sS'qm_package' p3893 I00 sS'all_residues' p3894 I00 sS'nwchem' p3895 I00 sS'show_defaults' p3896 I00 sS'jaguar' p3897 I00 sg1934 NsS'gamess' p3898 I00 sS'cctbx' p3899 I01 sS'subset_library' p3900 I00 sS'write_redundant_dihedrals_boolean' p3901 I00 sS'ignore_chiral' p3902 I00 sS'quick' p3903 I00 sS'output' p3904 g1557 sS'user_opt_program' p3905 I00 sS'automatic' p3906 I00 sS'view' p3907 I00 sS'png' p3908 I00 sS'pucker_define' p3909 I00 sS'sequence' p3910 I00 sS'pucker' p3911 S'chair' p3912 sS'access_all_smiles' p3913 I00 sS'opt_tol' p3914 I00 sS'gaussian' p3915 I00 sS'initial_geometry' p3916 I00 sS'mogul' p3917 I00 sS'keto_enol' p3918 g2562 sS'user_opt_output2xyz' p3919 I00 sg841 g842 sS'user_opt_xyz2input' p3920 I00 sS'pass_through_library_restraints' p3921 I00 sS'deuteriums' p3922 I00 sS'single_point' p3923 I00 sS'position_output' p3924 I00 sg36 g828 sg859 I00 sS'residue' p3925 I00 sS'chemical_component' p3926 I00 sS'do_all' p3927 I00 sS'dry_run' p3928 I00 sS'add_hydrogen_boolean' p3929 NsS'user_opt_script_filename' p3930 I00 sS'multiple_planes' p3931 I00 sS'cis_trans' p3932 g2562 sS'ideal' p3933 I00 sS'template' p3934 I00 sS'siesta' p3935 I00 sS'maestro' p3936 I00 sS'opt_steps' p3937 I-1 sS'skip_cif_molecule' p3938 I00 sS'qm_aux_basis' p3939 S'' sg2549 I00 sS'qm_check' p3940 I00 sS'pass_through_input_restraints' p3941 I00 sS'keys' p3942 I00 sS'data_header_file' p3943 NsS'qchem_level' p3944 I00 sS'metal' p3945 NsS'qchem' p3946 I00 sS'pdb_ligand' p3947 I01 sS'bonding' p3948 I00 sS'db_key' p3949 I00 sS'key' p3950 I00 sS'validate' p3951 I00 sg836 g3876 sS'boron_hybridisation' p3952 NsS'silent' p3953 I00 sg118 g2562 sS'pickle' p3954 I00 sS'ampac' p3955 I00 sS'amino_acid' p3956 NsS'quiet' p3957 I00 sS'pymol' p3958 I00 sS'pipe' p3959 I00 sS'user_opt_input_filename' p3960 I00 sS'clean' p3961 I00 sS'write_hydrogen_boolean' p3962 I01 sS'quicca' p3963 I00 sbsb.laila/./complex-laila-9.pdb0000664000076600007660000024266012307606044015247 0ustar galaxygalaxyATOM 1 N MET A 1 -7.666 -12.503 -7.596 1.00 0.00 ATOM 2 CA MET A 1 -6.845 -11.294 -7.883 1.00 0.00 ATOM 3 C MET A 1 -6.358 -10.631 -6.595 1.00 0.00 ATOM 4 O MET A 1 -7.159 -10.238 -5.736 1.00 0.00 ATOM 5 CB MET A 1 -7.666 -10.277 -8.686 1.00 0.00 ATOM 6 CG MET A 1 -6.868 -9.138 -9.382 1.00 0.00 ATOM 7 SD MET A 1 -6.016 -7.851 -8.372 1.00 0.00 ATOM 8 CE MET A 1 -7.337 -7.058 -7.519 1.00 0.00 ATOM 9 N VAL A 2 -5.039 -10.569 -6.443 1.00 0.00 ATOM 10 CA VAL A 2 -4.432 -9.905 -5.306 1.00 0.00 ATOM 11 C VAL A 2 -3.626 -8.757 -5.882 1.00 0.00 ATOM 12 O VAL A 2 -2.848 -8.935 -6.820 1.00 0.00 ATOM 13 CB VAL A 2 -3.518 -10.833 -4.505 1.00 0.00 ATOM 14 CG1 VAL A 2 -2.790 -10.057 -3.441 1.00 0.00 ATOM 15 CG2 VAL A 2 -4.333 -11.907 -3.852 1.00 0.00 ATOM 16 N GLY A 3 -3.883 -7.561 -5.370 1.00 0.00 ATOM 17 CA GLY A 3 -3.157 -6.395 -5.826 1.00 0.00 ATOM 18 C GLY A 3 -2.468 -5.721 -4.668 1.00 0.00 ATOM 19 O GLY A 3 -2.866 -5.888 -3.520 1.00 0.00 ATOM 20 N LEU A 4 -1.386 -5.019 -4.962 1.00 0.00 ATOM 21 CA LEU A 4 -0.663 -4.285 -3.945 1.00 0.00 ATOM 22 C LEU A 4 -0.829 -2.807 -4.262 1.00 0.00 ATOM 23 O LEU A 4 -0.918 -2.440 -5.420 1.00 0.00 ATOM 24 CB LEU A 4 0.828 -4.629 -3.989 1.00 0.00 ATOM 25 CG LEU A 4 1.392 -5.804 -3.185 1.00 0.00 ATOM 26 CD1 LEU A 4 0.551 -7.043 -3.328 1.00 0.00 ATOM 27 CD2 LEU A 4 2.836 -6.059 -3.615 1.00 0.00 ATOM 28 N ILE A 5 -0.940 -1.967 -3.239 1.00 0.00 ATOM 29 CA ILE A 5 -1.043 -0.531 -3.464 1.00 0.00 ATOM 30 C ILE A 5 -0.207 0.196 -2.419 1.00 0.00 ATOM 31 O ILE A 5 -0.243 -0.143 -1.235 1.00 0.00 ATOM 32 CB ILE A 5 -2.525 -0.020 -3.488 1.00 0.00 ATOM 33 CG1 ILE A 5 -2.556 1.504 -3.678 1.00 0.00 ATOM 34 CG2 ILE A 5 -3.269 -0.410 -2.227 1.00 0.00 ATOM 35 CD1 ILE A 5 -3.933 2.054 -4.027 1.00 0.00 ATOM 36 N TRP A 6 0.628 1.123 -2.878 1.00 0.00 ATOM 37 CA TRP A 6 1.479 1.898 -1.989 1.00 0.00 ATOM 38 C TRP A 6 1.942 3.188 -2.655 1.00 0.00 ATOM 39 O TRP A 6 1.821 3.357 -3.868 1.00 0.00 ATOM 40 CB TRP A 6 2.719 1.088 -1.567 1.00 0.00 ATOM 41 CG TRP A 6 3.782 0.892 -2.652 1.00 0.00 ATOM 42 CD1 TRP A 6 4.800 1.754 -2.976 1.00 0.00 ATOM 43 CD2 TRP A 6 3.934 -0.246 -3.514 1.00 0.00 ATOM 44 NE1 TRP A 6 5.574 1.221 -3.979 1.00 0.00 ATOM 45 CE2 TRP A 6 5.065 -0.003 -4.329 1.00 0.00 ATOM 46 CE3 TRP A 6 3.229 -1.450 -3.669 1.00 0.00 ATOM 47 CZ2 TRP A 6 5.507 -0.919 -5.289 1.00 0.00 ATOM 48 CZ3 TRP A 6 3.669 -2.359 -4.621 1.00 0.00 ATOM 49 CH2 TRP A 6 4.799 -2.085 -5.419 1.00 0.00 ATOM 50 N ALA A 7 2.491 4.078 -1.838 1.00 0.00 ATOM 51 CA ALA A 7 3.047 5.354 -2.271 1.00 0.00 ATOM 52 C ALA A 7 4.509 5.327 -1.791 1.00 0.00 ATOM 53 O ALA A 7 4.778 5.052 -0.622 1.00 0.00 ATOM 54 CB ALA A 7 2.288 6.522 -1.613 1.00 0.00 ATOM 55 N GLN A 8 5.450 5.583 -2.693 1.00 0.00 ATOM 56 CA GLN A 8 6.860 5.559 -2.331 1.00 0.00 ATOM 57 C GLN A 8 7.632 6.758 -2.847 1.00 0.00 ATOM 58 O GLN A 8 7.283 7.331 -3.880 1.00 0.00 ATOM 59 CB GLN A 8 7.539 4.324 -2.923 1.00 0.00 ATOM 60 CG GLN A 8 7.620 4.364 -4.434 1.00 0.00 ATOM 61 CD GLN A 8 8.529 3.308 -5.000 1.00 0.00 ATOM 62 OE1 GLN A 8 8.129 2.168 -5.184 1.00 0.00 ATOM 63 NE2 GLN A 8 9.765 3.686 -5.296 1.00 0.00 ATOM 64 N ALA A 9 8.690 7.104 -2.113 1.00 0.00 ATOM 65 CA ALA A 9 9.607 8.159 -2.516 1.00 0.00 ATOM 66 C ALA A 9 10.380 7.485 -3.638 1.00 0.00 ATOM 67 O ALA A 9 10.480 6.260 -3.675 1.00 0.00 ATOM 68 CB ALA A 9 10.570 8.523 -1.364 1.00 0.00 ATOM 69 N THR A 10 10.903 8.265 -4.567 1.00 0.00 ATOM 70 CA THR A 10 11.675 7.712 -5.673 1.00 0.00 ATOM 71 C THR A 10 12.703 6.688 -5.168 1.00 0.00 ATOM 72 O THR A 10 12.987 5.686 -5.827 1.00 0.00 ATOM 73 CB THR A 10 12.396 8.862 -6.391 1.00 0.00 ATOM 74 OG1 THR A 10 11.411 9.718 -6.985 1.00 0.00 ATOM 75 CG2 THR A 10 13.361 8.343 -7.452 1.00 0.00 ATOM 76 N SER A 11 13.194 6.925 -3.959 1.00 0.00 ATOM 77 CA SER A 11 14.191 6.086 -3.312 1.00 0.00 ATOM 78 C SER A 11 13.677 4.725 -2.888 1.00 0.00 ATOM 79 O SER A 11 14.466 3.825 -2.601 1.00 0.00 ATOM 80 CB SER A 11 14.721 6.799 -2.079 1.00 0.00 ATOM 81 OG SER A 11 13.709 6.913 -1.093 1.00 0.00 ATOM 82 N GLY A 12 12.356 4.597 -2.784 1.00 0.00 ATOM 83 CA GLY A 12 11.761 3.333 -2.379 1.00 0.00 ATOM 84 C GLY A 12 11.257 3.333 -0.950 1.00 0.00 ATOM 85 O GLY A 12 10.607 2.380 -0.523 1.00 0.00 ATOM 86 N VAL A 13 11.535 4.408 -0.212 1.00 0.00 ATOM 87 CA VAL A 13 11.091 4.521 1.173 1.00 0.00 ATOM 88 C VAL A 13 9.592 4.738 1.196 1.00 0.00 ATOM 89 O VAL A 13 9.078 5.560 0.445 1.00 0.00 ATOM 90 CB VAL A 13 11.782 5.711 1.900 1.00 0.00 ATOM 91 CG1 VAL A 13 11.249 5.869 3.333 1.00 0.00 ATOM 92 CG2 VAL A 13 13.287 5.502 1.916 1.00 0.00 ATOM 93 N ILE A 14 8.888 3.952 2.005 1.00 0.00 ATOM 94 CA ILE A 14 7.449 4.104 2.127 1.00 0.00 ATOM 95 C ILE A 14 7.083 4.445 3.562 1.00 0.00 ATOM 96 O ILE A 14 6.001 4.960 3.822 1.00 0.00 ATOM 97 CB ILE A 14 6.648 2.833 1.700 1.00 0.00 ATOM 98 CG1 ILE A 14 6.988 1.644 2.596 1.00 0.00 ATOM 99 CG2 ILE A 14 6.872 2.524 0.242 1.00 0.00 ATOM 100 CD1 ILE A 14 6.010 0.468 2.490 1.00 0.00 ATOM 101 N GLY A 15 7.994 4.191 4.498 1.00 0.00 ATOM 102 CA GLY A 15 7.699 4.471 5.895 1.00 0.00 ATOM 103 C GLY A 15 8.940 4.712 6.725 1.00 0.00 ATOM 104 O GLY A 15 10.000 4.147 6.452 1.00 0.00 ATOM 105 N ARG A 16 8.804 5.566 7.734 1.00 0.00 ATOM 106 CA ARG A 16 9.905 5.906 8.632 1.00 0.00 ATOM 107 C ARG A 16 9.331 6.375 9.963 1.00 0.00 ATOM 108 O ARG A 16 8.442 7.217 9.985 1.00 0.00 ATOM 109 CB ARG A 16 10.781 7.004 8.026 1.00 0.00 ATOM 110 CG ARG A 16 11.960 7.387 8.905 1.00 0.00 ATOM 111 CD ARG A 16 12.892 8.330 8.189 1.00 0.00 ATOM 112 NE ARG A 16 13.458 7.722 6.993 1.00 0.00 ATOM 113 CZ ARG A 16 14.131 8.394 6.067 1.00 0.00 ATOM 114 NH1 ARG A 16 14.310 9.691 6.204 1.00 0.00 ATOM 115 NH2 ARG A 16 14.642 7.775 5.009 1.00 0.00 ATOM 116 N GLY A 17 9.825 5.814 11.068 1.00 0.00 ATOM 117 CA GLY A 17 9.339 6.191 12.390 1.00 0.00 ATOM 118 C GLY A 17 7.873 5.849 12.592 1.00 0.00 ATOM 119 O GLY A 17 7.176 6.454 13.409 1.00 0.00 ATOM 120 N GLY A 18 7.400 4.869 11.835 1.00 0.00 ATOM 121 CA GLY A 18 6.015 4.474 11.934 1.00 0.00 ATOM 122 C GLY A 18 5.066 5.376 11.166 1.00 0.00 ATOM 123 O GLY A 18 3.859 5.183 11.252 1.00 0.00 ATOM 124 N ASP A 19 5.588 6.326 10.392 1.00 0.00 ATOM 125 CA ASP A 19 4.741 7.244 9.620 1.00 0.00 ATOM 126 C ASP A 19 5.092 7.223 8.138 1.00 0.00 ATOM 127 O ASP A 19 6.038 6.562 7.726 1.00 0.00 ATOM 128 CB ASP A 19 4.943 8.700 10.087 1.00 0.00 ATOM 129 CG ASP A 19 4.688 8.901 11.574 1.00 0.00 ATOM 130 OD1 ASP A 19 5.505 9.604 12.222 1.00 0.00 ATOM 131 OD2 ASP A 19 3.676 8.375 12.088 1.00 0.00 ATOM 132 N ILE A 20 4.278 7.904 7.338 1.00 0.00 ATOM 133 CA ILE A 20 4.557 8.060 5.921 1.00 0.00 ATOM 134 C ILE A 20 5.328 9.381 5.998 1.00 0.00 ATOM 135 O ILE A 20 4.806 10.369 6.504 1.00 0.00 ATOM 136 CB ILE A 20 3.279 8.207 5.094 1.00 0.00 ATOM 137 CG1 ILE A 20 2.551 6.858 5.032 1.00 0.00 ATOM 138 CG2 ILE A 20 3.613 8.681 3.705 1.00 0.00 ATOM 139 CD1 ILE A 20 1.351 6.819 4.092 1.00 0.00 ATOM 140 N PRO A 21 6.577 9.414 5.506 1.00 0.00 ATOM 141 CA PRO A 21 7.424 10.608 5.542 1.00 0.00 ATOM 142 C PRO A 21 7.161 11.744 4.554 1.00 0.00 ATOM 143 O PRO A 21 8.101 12.386 4.085 1.00 0.00 ATOM 144 CB PRO A 21 8.841 10.039 5.361 1.00 0.00 ATOM 145 CG PRO A 21 8.653 8.531 5.121 1.00 0.00 ATOM 146 CD PRO A 21 7.228 8.354 4.725 1.00 0.00 ATOM 147 N TRP A 22 5.899 11.999 4.242 1.00 0.00 ATOM 148 CA TRP A 22 5.542 13.081 3.325 1.00 0.00 ATOM 149 C TRP A 22 4.056 13.356 3.383 1.00 0.00 ATOM 150 O TRP A 22 3.289 12.556 3.909 1.00 0.00 ATOM 151 CB TRP A 22 5.946 12.765 1.874 1.00 0.00 ATOM 152 CG TRP A 22 5.300 11.539 1.284 1.00 0.00 ATOM 153 CD1 TRP A 22 4.031 11.431 0.797 1.00 0.00 ATOM 154 CD2 TRP A 22 5.895 10.246 1.137 1.00 0.00 ATOM 155 NE1 TRP A 22 3.796 10.146 0.361 1.00 0.00 ATOM 156 CE2 TRP A 22 4.923 9.399 0.560 1.00 0.00 ATOM 157 CE3 TRP A 22 7.158 9.716 1.445 1.00 0.00 ATOM 158 CZ2 TRP A 22 5.171 8.056 0.285 1.00 0.00 ATOM 159 CZ3 TRP A 22 7.400 8.369 1.168 1.00 0.00 ATOM 160 CH2 TRP A 22 6.409 7.561 0.597 1.00 0.00 ATOM 161 N ARG A 23 3.665 14.501 2.840 1.00 0.00 ATOM 162 CA ARG A 23 2.262 14.893 2.793 1.00 0.00 ATOM 163 C ARG A 23 1.862 14.994 1.332 1.00 0.00 ATOM 164 O ARG A 23 2.514 15.679 0.538 1.00 0.00 ATOM 165 CB ARG A 23 1.993 16.228 3.514 1.00 0.00 ATOM 166 CG ARG A 23 3.174 16.877 4.228 1.00 0.00 ATOM 167 CD ARG A 23 4.185 17.444 3.223 1.00 0.00 ATOM 168 NE ARG A 23 5.295 16.523 2.965 1.00 0.00 ATOM 169 CZ ARG A 23 6.397 16.843 2.292 1.00 0.00 ATOM 170 NH1 ARG A 23 6.545 18.062 1.783 1.00 0.00 ATOM 171 NH2 ARG A 23 7.392 15.970 2.192 1.00 0.00 ATOM 172 N LEU A 24 0.805 14.271 0.985 1.00 0.00 ATOM 173 CA LEU A 24 0.281 14.219 -0.371 1.00 0.00 ATOM 174 C LEU A 24 -1.200 13.995 -0.195 1.00 0.00 ATOM 175 O LEU A 24 -1.671 12.863 -0.223 1.00 0.00 ATOM 176 CB LEU A 24 0.902 13.035 -1.135 1.00 0.00 ATOM 177 CG LEU A 24 0.633 12.905 -2.635 1.00 0.00 ATOM 178 CD1 LEU A 24 1.054 14.154 -3.341 1.00 0.00 ATOM 179 CD2 LEU A 24 1.411 11.758 -3.197 1.00 0.00 ATOM 180 N PRO A 25 -1.959 15.078 0.009 1.00 0.00 ATOM 181 CA PRO A 25 -3.407 15.018 0.204 1.00 0.00 ATOM 182 C PRO A 25 -4.194 14.334 -0.910 1.00 0.00 ATOM 183 O PRO A 25 -5.222 13.722 -0.635 1.00 0.00 ATOM 184 CB PRO A 25 -3.788 16.486 0.385 1.00 0.00 ATOM 185 CG PRO A 25 -2.724 17.222 -0.371 1.00 0.00 ATOM 186 CD PRO A 25 -1.488 16.473 0.021 1.00 0.00 ATOM 187 N GLU A 26 -3.696 14.383 -2.144 1.00 0.00 ATOM 188 CA GLU A 26 -4.383 13.750 -3.274 1.00 0.00 ATOM 189 C GLU A 26 -4.278 12.226 -3.254 1.00 0.00 ATOM 190 O GLU A 26 -4.952 11.535 -4.023 1.00 0.00 ATOM 191 CB GLU A 26 -3.813 14.248 -4.603 1.00 0.00 ATOM 192 CG GLU A 26 -3.989 15.732 -4.844 1.00 0.00 ATOM 193 CD GLU A 26 -2.898 16.573 -4.223 1.00 0.00 ATOM 194 OE1 GLU A 26 -2.070 16.028 -3.462 1.00 0.00 ATOM 195 OE2 GLU A 26 -2.867 17.793 -4.509 1.00 0.00 ATOM 196 N ASP A 27 -3.400 11.714 -2.400 1.00 0.00 ATOM 197 CA ASP A 27 -3.174 10.279 -2.296 1.00 0.00 ATOM 198 C ASP A 27 -4.391 9.570 -1.732 1.00 0.00 ATOM 199 O ASP A 27 -4.848 8.566 -2.276 1.00 0.00 ATOM 200 CB ASP A 27 -1.938 10.018 -1.423 1.00 0.00 ATOM 201 CG ASP A 27 -1.631 8.537 -1.236 1.00 0.00 ATOM 202 OD1 ASP A 27 -1.279 7.852 -2.212 1.00 0.00 ATOM 203 OD2 ASP A 27 -1.709 8.063 -0.089 1.00 0.00 ATOM 204 N GLN A 28 -4.946 10.149 -0.678 1.00 0.00 ATOM 205 CA GLN A 28 -6.104 9.590 0.013 1.00 0.00 ATOM 206 C GLN A 28 -7.252 9.211 -0.914 1.00 0.00 ATOM 207 O GLN A 28 -7.851 8.144 -0.766 1.00 0.00 ATOM 208 CB GLN A 28 -6.584 10.582 1.074 1.00 0.00 ATOM 209 CG GLN A 28 -5.429 11.160 1.904 1.00 0.00 ATOM 210 CD GLN A 28 -5.753 12.517 2.536 1.00 0.00 ATOM 211 OE1 GLN A 28 -6.578 13.292 2.020 1.00 0.00 ATOM 212 NE2 GLN A 28 -5.081 12.822 3.649 1.00 0.00 ATOM 213 N ALA A 29 -7.536 10.082 -1.879 1.00 0.00 ATOM 214 CA ALA A 29 -8.618 9.872 -2.829 1.00 0.00 ATOM 215 C ALA A 29 -8.303 8.806 -3.862 1.00 0.00 ATOM 216 O ALA A 29 -9.203 8.103 -4.319 1.00 0.00 ATOM 217 CB ALA A 29 -8.972 11.177 -3.507 1.00 0.00 ATOM 218 N HIS A 30 -7.044 8.718 -4.285 1.00 0.00 ATOM 219 CA HIS A 30 -6.665 7.697 -5.257 1.00 0.00 ATOM 220 C HIS A 30 -6.693 6.320 -4.573 1.00 0.00 ATOM 221 O HIS A 30 -7.133 5.326 -5.146 1.00 0.00 ATOM 222 CB HIS A 30 -5.277 7.966 -5.839 1.00 0.00 ATOM 223 CG HIS A 30 -4.825 6.897 -6.785 1.00 0.00 ATOM 224 ND1 HIS A 30 -3.750 6.071 -6.519 1.00 0.00 ATOM 225 CD2 HIS A 30 -5.347 6.468 -7.957 1.00 0.00 ATOM 226 CE1 HIS A 30 -3.633 5.179 -7.487 1.00 0.00 ATOM 227 NE2 HIS A 30 -4.588 5.397 -8.372 1.00 0.00 ATOM 228 N PHE A 31 -6.206 6.277 -3.343 1.00 0.00 ATOM 229 CA PHE A 31 -6.192 5.053 -2.560 1.00 0.00 ATOM 230 C PHE A 31 -7.633 4.585 -2.367 1.00 0.00 ATOM 231 O PHE A 31 -7.949 3.413 -2.574 1.00 0.00 ATOM 232 CB PHE A 31 -5.520 5.331 -1.210 1.00 0.00 ATOM 233 CG PHE A 31 -5.630 4.207 -0.216 1.00 0.00 ATOM 234 CD1 PHE A 31 -4.886 3.042 -0.370 1.00 0.00 ATOM 235 CD2 PHE A 31 -6.469 4.325 0.885 1.00 0.00 ATOM 236 CE1 PHE A 31 -4.972 2.014 0.556 1.00 0.00 ATOM 237 CE2 PHE A 31 -6.560 3.303 1.821 1.00 0.00 ATOM 238 CZ PHE A 31 -5.805 2.139 1.653 1.00 0.00 ATOM 239 N ARG A 32 -8.509 5.519 -2.010 1.00 0.00 ATOM 240 CA ARG A 32 -9.917 5.229 -1.786 1.00 0.00 ATOM 241 C ARG A 32 -10.570 4.670 -3.044 1.00 0.00 ATOM 242 O ARG A 32 -11.207 3.620 -3.008 1.00 0.00 ATOM 243 CB ARG A 32 -10.645 6.504 -1.341 1.00 0.00 ATOM 244 CG ARG A 32 -12.093 6.299 -0.929 1.00 0.00 ATOM 245 CD ARG A 32 -12.817 7.625 -0.717 1.00 0.00 ATOM 246 NE ARG A 32 -14.239 7.447 -0.370 1.00 0.00 ATOM 247 CZ ARG A 32 -15.183 6.942 -1.175 1.00 0.00 ATOM 248 NH1 ARG A 32 -14.887 6.545 -2.408 1.00 0.00 ATOM 249 NH2 ARG A 32 -16.433 6.822 -0.737 1.00 0.00 ATOM 250 N GLU A 33 -10.348 5.350 -4.164 1.00 0.00 ATOM 251 CA GLU A 33 -10.913 4.971 -5.445 1.00 0.00 ATOM 252 C GLU A 33 -10.592 3.528 -5.824 1.00 0.00 ATOM 253 O GLU A 33 -11.457 2.794 -6.302 1.00 0.00 ATOM 254 CB GLU A 33 -10.398 5.930 -6.529 1.00 0.00 ATOM 255 CG GLU A 33 -11.332 6.143 -7.718 1.00 0.00 ATOM 256 CD GLU A 33 -11.653 4.853 -8.465 1.00 0.00 ATOM 257 OE1 GLU A 33 -10.734 4.296 -9.114 1.00 0.00 ATOM 258 OE2 GLU A 33 -12.818 4.384 -8.385 1.00 0.00 ATOM 259 N ILE A 34 -9.354 3.118 -5.582 1.00 0.00 ATOM 260 CA ILE A 34 -8.901 1.777 -5.929 1.00 0.00 ATOM 261 C ILE A 34 -9.386 0.692 -4.964 1.00 0.00 ATOM 262 O ILE A 34 -9.823 -0.386 -5.395 1.00 0.00 ATOM 263 CB ILE A 34 -7.343 1.748 -6.011 1.00 0.00 ATOM 264 CG1 ILE A 34 -6.848 2.478 -7.270 1.00 0.00 ATOM 265 CG2 ILE A 34 -6.813 0.328 -5.939 1.00 0.00 ATOM 266 CD1 ILE A 34 -7.175 1.780 -8.566 1.00 0.00 ATOM 267 N THR A 35 -9.341 0.996 -3.669 1.00 0.00 ATOM 268 CA THR A 35 -9.709 0.037 -2.634 1.00 0.00 ATOM 269 C THR A 35 -11.167 -0.058 -2.203 1.00 0.00 ATOM 270 O THR A 35 -11.588 -1.093 -1.691 1.00 0.00 ATOM 271 CB THR A 35 -8.831 0.239 -1.366 1.00 0.00 ATOM 272 OG1 THR A 35 -9.074 1.530 -0.780 1.00 0.00 ATOM 273 CG2 THR A 35 -7.357 0.114 -1.723 1.00 0.00 ATOM 274 N MET A 36 -11.944 0.997 -2.430 1.00 0.00 ATOM 275 CA MET A 36 -13.336 1.027 -1.993 1.00 0.00 ATOM 276 C MET A 36 -14.174 -0.193 -2.371 1.00 0.00 ATOM 277 O MET A 36 -14.125 -0.665 -3.497 1.00 0.00 ATOM 278 CB MET A 36 -14.010 2.316 -2.471 1.00 0.00 ATOM 279 CG MET A 36 -15.363 2.562 -1.818 1.00 0.00 ATOM 280 SD MET A 36 -15.317 2.566 -0.000 1.00 0.00 ATOM 281 CE MET A 36 -14.159 3.876 0.311 1.00 0.00 ATOM 282 N GLY A 37 -14.916 -0.721 -1.396 1.00 0.00 ATOM 283 CA GLY A 37 -15.761 -1.880 -1.632 1.00 0.00 ATOM 284 C GLY A 37 -15.056 -3.229 -1.665 1.00 0.00 ATOM 285 O GLY A 37 -15.703 -4.259 -1.875 1.00 0.00 ATOM 286 N HIS A 38 -13.744 -3.248 -1.455 1.00 0.00 ATOM 287 CA HIS A 38 -13.010 -4.505 -1.491 1.00 0.00 ATOM 288 C HIS A 38 -12.480 -4.894 -0.138 1.00 0.00 ATOM 289 O HIS A 38 -12.702 -4.211 0.850 1.00 0.00 ATOM 290 CB HIS A 38 -11.841 -4.432 -2.482 1.00 0.00 ATOM 291 CG HIS A 38 -12.260 -4.148 -3.890 1.00 0.00 ATOM 292 ND1 HIS A 38 -13.173 -4.932 -4.566 1.00 0.00 ATOM 293 CD2 HIS A 38 -11.940 -3.136 -4.728 1.00 0.00 ATOM 294 CE1 HIS A 38 -13.403 -4.409 -5.756 1.00 0.00 ATOM 295 NE2 HIS A 38 -12.668 -3.319 -5.879 1.00 0.00 ATOM 296 N THR A 39 -11.869 -6.067 -0.084 1.00 0.00 ATOM 297 CA THR A 39 -11.259 -6.529 1.142 1.00 0.00 ATOM 298 C THR A 39 -9.863 -5.925 1.094 1.00 0.00 ATOM 299 O THR A 39 -9.238 -5.868 0.027 1.00 0.00 ATOM 300 CB THR A 39 -11.154 -8.081 1.181 1.00 0.00 ATOM 301 OG1 THR A 39 -12.449 -8.637 1.411 1.00 0.00 ATOM 302 CG2 THR A 39 -10.218 -8.543 2.296 1.00 0.00 ATOM 303 N ILE A 40 -9.410 -5.393 2.225 1.00 0.00 ATOM 304 CA ILE A 40 -8.068 -4.826 2.301 1.00 0.00 ATOM 305 C ILE A 40 -7.246 -5.562 3.363 1.00 0.00 ATOM 306 O ILE A 40 -7.737 -5.844 4.452 1.00 0.00 ATOM 307 CB ILE A 40 -8.098 -3.308 2.591 1.00 0.00 ATOM 308 CG1 ILE A 40 -8.798 -3.031 3.911 1.00 0.00 ATOM 309 CG2 ILE A 40 -8.824 -2.573 1.463 1.00 0.00 ATOM 310 CD1 ILE A 40 -8.736 -1.604 4.296 1.00 0.00 ATOM 311 N VAL A 41 -6.025 -5.942 3.003 1.00 0.00 ATOM 312 CA VAL A 41 -5.128 -6.650 3.913 1.00 0.00 ATOM 313 C VAL A 41 -3.934 -5.778 4.331 1.00 0.00 ATOM 314 O VAL A 41 -3.319 -5.111 3.509 1.00 0.00 ATOM 315 CB VAL A 41 -4.654 -7.973 3.274 1.00 0.00 ATOM 316 CG1 VAL A 41 -3.593 -8.651 4.140 1.00 0.00 ATOM 317 CG2 VAL A 41 -5.835 -8.881 3.094 1.00 0.00 ATOM 318 N MET A 42 -3.626 -5.774 5.623 1.00 0.00 ATOM 319 CA MET A 42 -2.522 -4.979 6.127 1.00 0.00 ATOM 320 C MET A 42 -1.817 -5.675 7.293 1.00 0.00 ATOM 321 O MET A 42 -2.404 -6.524 7.968 1.00 0.00 ATOM 322 CB MET A 42 -3.051 -3.626 6.609 1.00 0.00 ATOM 323 CG MET A 42 -3.849 -3.719 7.916 1.00 0.00 ATOM 324 SD MET A 42 -4.709 -2.223 8.288 1.00 0.00 ATOM 325 CE MET A 42 -6.237 -2.544 7.404 1.00 0.00 ATOM 326 N GLY A 43 -0.551 -5.326 7.506 1.00 0.00 ATOM 327 CA GLY A 43 0.185 -5.871 8.631 1.00 0.00 ATOM 328 C GLY A 43 -0.224 -5.129 9.890 1.00 0.00 ATOM 329 O GLY A 43 -0.690 -3.997 9.826 1.00 0.00 ATOM 330 N ARG A 44 -0.031 -5.757 11.043 1.00 0.00 ATOM 331 CA ARG A 44 -0.402 -5.174 12.326 1.00 0.00 ATOM 332 C ARG A 44 0.132 -3.763 12.530 1.00 0.00 ATOM 333 O ARG A 44 -0.547 -2.894 13.077 1.00 0.00 ATOM 334 CB ARG A 44 0.074 -6.106 13.450 1.00 0.00 ATOM 335 CG ARG A 44 -0.524 -5.833 14.825 1.00 0.00 ATOM 336 CD ARG A 44 0.373 -4.957 15.655 1.00 0.00 ATOM 337 NE ARG A 44 1.670 -5.592 15.869 1.00 0.00 ATOM 338 CZ ARG A 44 2.760 -4.945 16.274 1.00 0.00 ATOM 339 NH1 ARG A 44 2.717 -3.642 16.513 1.00 0.00 ATOM 340 NH2 ARG A 44 3.899 -5.600 16.426 1.00 0.00 ATOM 341 N ARG A 45 1.361 -3.531 12.105 1.00 0.00 ATOM 342 CA ARG A 45 1.953 -2.214 12.262 1.00 0.00 ATOM 343 C ARG A 45 1.273 -1.156 11.412 1.00 0.00 ATOM 344 O ARG A 45 1.250 0.018 11.788 1.00 0.00 ATOM 345 CB ARG A 45 3.433 -2.250 11.946 1.00 0.00 ATOM 346 CG ARG A 45 4.264 -2.998 12.936 1.00 0.00 ATOM 347 CD ARG A 45 5.688 -2.749 12.567 1.00 0.00 ATOM 348 NE ARG A 45 6.623 -3.333 13.499 1.00 0.00 ATOM 349 CZ ARG A 45 7.877 -3.628 13.178 1.00 0.00 ATOM 350 NH1 ARG A 45 8.320 -3.384 11.948 1.00 0.00 ATOM 351 NH2 ARG A 45 8.685 -4.177 14.080 1.00 0.00 ATOM 352 N THR A 46 0.782 -1.540 10.236 1.00 0.00 ATOM 353 CA THR A 46 0.077 -0.582 9.390 1.00 0.00 ATOM 354 C THR A 46 -1.250 -0.245 10.080 1.00 0.00 ATOM 355 O THR A 46 -1.678 0.907 10.107 1.00 0.00 ATOM 356 CB THR A 46 -0.154 -1.140 7.971 1.00 0.00 ATOM 357 OG1 THR A 46 1.106 -1.230 7.298 1.00 0.00 ATOM 358 CG2 THR A 46 -1.048 -0.223 7.166 1.00 0.00 ATOM 359 N TRP A 47 -1.872 -1.256 10.679 1.00 0.00 ATOM 360 CA TRP A 47 -3.115 -1.055 11.402 1.00 0.00 ATOM 361 C TRP A 47 -2.878 -0.041 12.524 1.00 0.00 ATOM 362 O TRP A 47 -3.661 0.889 12.690 1.00 0.00 ATOM 363 CB TRP A 47 -3.612 -2.376 11.994 1.00 0.00 ATOM 364 CG TRP A 47 -4.765 -2.169 12.941 1.00 0.00 ATOM 365 CD1 TRP A 47 -4.698 -2.091 14.300 1.00 0.00 ATOM 366 CD2 TRP A 47 -6.158 -2.025 12.597 1.00 0.00 ATOM 367 NE1 TRP A 47 -5.957 -1.911 14.825 1.00 0.00 ATOM 368 CE2 TRP A 47 -6.871 -1.876 13.803 1.00 0.00 ATOM 369 CE3 TRP A 47 -6.873 -2.024 11.387 1.00 0.00 ATOM 370 CZ2 TRP A 47 -8.269 -1.728 13.839 1.00 0.00 ATOM 371 CZ3 TRP A 47 -8.268 -1.876 11.421 1.00 0.00 ATOM 372 CH2 TRP A 47 -8.944 -1.731 12.640 1.00 0.00 ATOM 373 N ASP A 48 -1.801 -0.233 13.294 1.00 0.00 ATOM 374 CA ASP A 48 -1.444 0.680 14.389 1.00 0.00 ATOM 375 C ASP A 48 -1.166 2.086 13.871 1.00 0.00 ATOM 376 O ASP A 48 -1.431 3.070 14.551 1.00 0.00 ATOM 377 CB ASP A 48 -0.210 0.176 15.141 1.00 0.00 ATOM 378 CG ASP A 48 -0.474 -1.104 15.924 1.00 0.00 ATOM 379 OD1 ASP A 48 0.508 -1.822 16.198 1.00 0.00 ATOM 380 OD2 ASP A 48 -1.640 -1.395 16.276 1.00 0.00 ATOM 381 N SER A 49 -0.650 2.164 12.649 1.00 0.00 ATOM 382 CA SER A 49 -0.326 3.424 11.995 1.00 0.00 ATOM 383 C SER A 49 -1.577 4.215 11.592 1.00 0.00 ATOM 384 O SER A 49 -1.538 5.435 11.460 1.00 0.00 ATOM 385 CB SER A 49 0.535 3.136 10.761 1.00 0.00 ATOM 386 OG SER A 49 1.005 4.326 10.156 1.00 0.00 ATOM 387 N LEU A 50 -2.687 3.524 11.373 1.00 0.00 ATOM 388 CA LEU A 50 -3.911 4.210 10.987 1.00 0.00 ATOM 389 C LEU A 50 -4.449 5.055 12.142 1.00 0.00 ATOM 390 O LEU A 50 -4.480 4.600 13.294 1.00 0.00 ATOM 391 CB LEU A 50 -4.985 3.201 10.565 1.00 0.00 ATOM 392 CG LEU A 50 -4.779 2.349 9.315 1.00 0.00 ATOM 393 CD1 LEU A 50 -5.925 1.369 9.172 1.00 0.00 ATOM 394 CD2 LEU A 50 -4.684 3.244 8.100 1.00 0.00 ATOM 395 N PRO A 51 -4.837 6.317 11.863 1.00 0.00 ATOM 396 CA PRO A 51 -5.379 7.165 12.932 1.00 0.00 ATOM 397 C PRO A 51 -6.633 6.473 13.484 1.00 0.00 ATOM 398 O PRO A 51 -7.413 5.888 12.723 1.00 0.00 ATOM 399 CB PRO A 51 -5.748 8.447 12.189 1.00 0.00 ATOM 400 CG PRO A 51 -4.734 8.504 11.088 1.00 0.00 ATOM 401 CD PRO A 51 -4.709 7.073 10.601 1.00 0.00 ATOM 402 N ALA A 52 -6.809 6.515 14.801 1.00 0.00 ATOM 403 CA ALA A 52 -7.959 5.886 15.450 1.00 0.00 ATOM 404 C ALA A 52 -9.321 6.300 14.895 1.00 0.00 ATOM 405 O ALA A 52 -10.250 5.496 14.841 1.00 0.00 ATOM 406 CB ALA A 52 -7.916 6.148 16.934 1.00 0.00 ATOM 407 N LYS A 53 -9.445 7.549 14.469 1.00 0.00 ATOM 408 CA LYS A 53 -10.711 8.026 13.938 1.00 0.00 ATOM 409 C LYS A 53 -11.013 7.506 12.543 1.00 0.00 ATOM 410 O LYS A 53 -12.160 7.531 12.119 1.00 0.00 ATOM 411 CB LYS A 53 -10.767 9.555 13.960 1.00 0.00 ATOM 412 CG LYS A 53 -9.831 10.241 12.993 1.00 0.00 ATOM 413 CD LYS A 53 -9.901 11.752 13.143 1.00 0.00 ATOM 414 CE LYS A 53 -9.174 12.463 11.995 1.00 0.00 ATOM 415 NZ LYS A 53 -7.769 11.964 11.782 1.00 0.00 ATOM 416 N VAL A 54 -9.999 7.024 11.830 1.00 0.00 ATOM 417 CA VAL A 54 -10.225 6.516 10.472 1.00 0.00 ATOM 418 C VAL A 54 -10.237 4.989 10.334 1.00 0.00 ATOM 419 O VAL A 54 -10.530 4.483 9.260 1.00 0.00 ATOM 420 CB VAL A 54 -9.221 7.125 9.416 1.00 0.00 ATOM 421 CG1 VAL A 54 -8.982 8.609 9.679 1.00 0.00 ATOM 422 CG2 VAL A 54 -7.902 6.364 9.385 1.00 0.00 ATOM 423 N ARG A 55 -9.949 4.256 11.409 1.00 0.00 ATOM 424 CA ARG A 55 -9.922 2.798 11.350 1.00 0.00 ATOM 425 C ARG A 55 -11.078 2.142 12.099 1.00 0.00 ATOM 426 O ARG A 55 -11.422 2.557 13.202 1.00 0.00 ATOM 427 CB ARG A 55 -8.614 2.275 11.917 1.00 0.00 ATOM 428 CG ARG A 55 -8.538 2.416 13.398 1.00 0.00 ATOM 429 CD ARG A 55 -7.536 1.488 13.973 1.00 0.00 ATOM 430 NE ARG A 55 -6.330 2.195 14.352 1.00 0.00 ATOM 431 CZ ARG A 55 -5.609 1.915 15.430 1.00 0.00 ATOM 432 NH1 ARG A 55 -5.975 0.939 16.245 1.00 0.00 ATOM 433 NH2 ARG A 55 -4.509 2.606 15.688 1.00 0.00 ATOM 434 N PRO A 56 -11.656 1.065 11.538 1.00 0.00 ATOM 435 CA PRO A 56 -11.284 0.452 10.263 1.00 0.00 ATOM 436 C PRO A 56 -11.656 1.357 9.102 1.00 0.00 ATOM 437 O PRO A 56 -12.540 2.198 9.230 1.00 0.00 ATOM 438 CB PRO A 56 -12.124 -0.819 10.250 1.00 0.00 ATOM 439 CG PRO A 56 -13.365 -0.389 10.950 1.00 0.00 ATOM 440 CD PRO A 56 -12.799 0.347 12.136 1.00 0.00 ATOM 441 N LEU A 57 -10.941 1.226 7.990 1.00 0.00 ATOM 442 CA LEU A 57 -11.234 2.025 6.813 1.00 0.00 ATOM 443 C LEU A 57 -12.651 1.688 6.367 1.00 0.00 ATOM 444 O LEU A 57 -12.974 0.516 6.137 1.00 0.00 ATOM 445 CB LEU A 57 -10.241 1.709 5.706 1.00 0.00 ATOM 446 CG LEU A 57 -8.825 2.091 6.091 1.00 0.00 ATOM 447 CD1 LEU A 57 -7.869 1.764 4.955 1.00 0.00 ATOM 448 CD2 LEU A 57 -8.806 3.584 6.403 1.00 0.00 ATOM 449 N PRO A 58 -13.518 2.714 6.246 1.00 0.00 ATOM 450 CA PRO A 58 -14.922 2.568 5.838 1.00 0.00 ATOM 451 C PRO A 58 -15.152 2.033 4.430 1.00 0.00 ATOM 452 O PRO A 58 -14.392 2.352 3.512 1.00 0.00 ATOM 453 CB PRO A 58 -15.466 3.998 5.978 1.00 0.00 ATOM 454 CG PRO A 58 -14.569 4.612 7.018 1.00 0.00 ATOM 455 CD PRO A 58 -13.221 4.116 6.581 1.00 0.00 ATOM 456 N GLY A 59 -16.188 1.207 4.273 1.00 0.00 ATOM 457 CA GLY A 59 -16.538 0.674 2.968 1.00 0.00 ATOM 458 C GLY A 59 -15.651 -0.430 2.449 1.00 0.00 ATOM 459 O GLY A 59 -15.702 -0.770 1.268 1.00 0.00 ATOM 460 N ARG A 60 -14.860 -1.013 3.339 1.00 0.00 ATOM 461 CA ARG A 60 -13.938 -2.072 2.967 1.00 0.00 ATOM 462 C ARG A 60 -13.843 -3.049 4.100 1.00 0.00 ATOM 463 O ARG A 60 -14.011 -2.674 5.247 1.00 0.00 ATOM 464 CB ARG A 60 -12.551 -1.477 2.704 1.00 0.00 ATOM 465 CG ARG A 60 -12.440 -0.769 1.375 1.00 0.00 ATOM 466 CD ARG A 60 -11.445 0.351 1.413 1.00 0.00 ATOM 467 NE ARG A 60 -11.917 1.462 2.234 1.00 0.00 ATOM 468 CZ ARG A 60 -11.303 2.637 2.340 1.00 0.00 ATOM 469 NH1 ARG A 60 -10.178 2.870 1.671 1.00 0.00 ATOM 470 NH2 ARG A 60 -11.817 3.574 3.122 1.00 0.00 ATOM 471 N ARG A 61 -13.609 -4.313 3.786 1.00 0.00 ATOM 472 CA ARG A 61 -13.460 -5.315 4.828 1.00 0.00 ATOM 473 C ARG A 61 -11.980 -5.276 5.234 1.00 0.00 ATOM 474 O ARG A 61 -11.101 -5.585 4.434 1.00 0.00 ATOM 475 CB ARG A 61 -13.856 -6.696 4.297 1.00 0.00 ATOM 476 CG ARG A 61 -13.758 -7.814 5.329 1.00 0.00 ATOM 477 CD ARG A 61 -14.137 -9.141 4.721 1.00 0.00 ATOM 478 NE ARG A 61 -14.057 -10.216 5.706 1.00 0.00 ATOM 479 CZ ARG A 61 -14.095 -11.514 5.414 1.00 0.00 ATOM 480 NH1 ARG A 61 -14.213 -11.916 4.156 1.00 0.00 ATOM 481 NH2 ARG A 61 -14.000 -12.418 6.383 1.00 0.00 ATOM 482 N ASN A 62 -11.709 -4.825 6.456 1.00 0.00 ATOM 483 CA ASN A 62 -10.345 -4.695 6.947 1.00 0.00 ATOM 484 C ASN A 62 -9.805 -5.974 7.522 1.00 0.00 ATOM 485 O ASN A 62 -10.383 -6.528 8.461 1.00 0.00 ATOM 486 CB ASN A 62 -10.275 -3.632 8.023 1.00 0.00 ATOM 487 CG ASN A 62 -10.497 -2.253 7.486 1.00 0.00 ATOM 488 OD1 ASN A 62 -11.431 -2.008 6.709 1.00 0.00 ATOM 489 ND2 ASN A 62 -9.667 -1.322 7.919 1.00 0.00 ATOM 490 N VAL A 63 -8.697 -6.450 6.962 1.00 0.00 ATOM 491 CA VAL A 63 -8.078 -7.681 7.446 1.00 0.00 ATOM 492 C VAL A 63 -6.675 -7.343 7.939 1.00 0.00 ATOM 493 O VAL A 63 -5.899 -6.733 7.214 1.00 0.00 ATOM 494 CB VAL A 63 -8.008 -8.772 6.342 1.00 0.00 ATOM 495 CG1 VAL A 63 -7.379 -10.058 6.901 1.00 0.00 ATOM 496 CG2 VAL A 63 -9.408 -9.082 5.804 1.00 0.00 ATOM 497 N VAL A 64 -6.374 -7.720 9.183 1.00 0.00 ATOM 498 CA VAL A 64 -5.079 -7.453 9.792 1.00 0.00 ATOM 499 C VAL A 64 -4.314 -8.740 10.085 1.00 0.00 ATOM 500 O VAL A 64 -4.818 -9.642 10.764 1.00 0.00 ATOM 501 CB VAL A 64 -5.248 -6.680 11.095 1.00 0.00 ATOM 502 CG1 VAL A 64 -3.896 -6.267 11.643 1.00 0.00 ATOM 503 CG2 VAL A 64 -6.118 -5.471 10.865 1.00 0.00 ATOM 504 N LEU A 65 -3.088 -8.814 9.576 1.00 0.00 ATOM 505 CA LEU A 65 -2.235 -9.976 9.750 1.00 0.00 ATOM 506 C LEU A 65 -1.404 -9.800 11.020 1.00 0.00 ATOM 507 O LEU A 65 -0.736 -8.778 11.183 1.00 0.00 ATOM 508 CB LEU A 65 -1.297 -10.071 8.552 1.00 0.00 ATOM 509 CG LEU A 65 -1.171 -11.348 7.738 1.00 0.00 ATOM 510 CD1 LEU A 65 0.089 -11.237 6.907 1.00 0.00 ATOM 511 CD2 LEU A 65 -1.058 -12.551 8.640 1.00 0.00 ATOM 512 N SER A 66 -1.443 -10.783 11.918 1.00 0.00 ATOM 513 CA SER A 66 -0.666 -10.726 13.156 1.00 0.00 ATOM 514 C SER A 66 -0.295 -12.122 13.638 1.00 0.00 ATOM 515 O SER A 66 -1.009 -13.086 13.377 1.00 0.00 ATOM 516 CB SER A 66 -1.451 -10.002 14.254 1.00 0.00 ATOM 517 OG SER A 66 -0.722 -9.979 15.473 1.00 0.00 ATOM 518 N ARG A 67 0.848 -12.245 14.300 1.00 0.00 ATOM 519 CA ARG A 67 1.250 -13.547 14.827 1.00 0.00 ATOM 520 C ARG A 67 0.671 -13.787 16.218 1.00 0.00 ATOM 521 O ARG A 67 0.778 -14.883 16.756 1.00 0.00 ATOM 522 CB ARG A 67 2.762 -13.694 14.858 1.00 0.00 ATOM 523 CG ARG A 67 3.361 -13.965 13.499 1.00 0.00 ATOM 524 CD ARG A 67 4.769 -14.535 13.631 1.00 0.00 ATOM 525 NE ARG A 67 5.415 -14.674 12.338 1.00 0.00 ATOM 526 CZ ARG A 67 5.989 -13.670 11.698 1.00 0.00 ATOM 527 NH1 ARG A 67 5.997 -12.459 12.240 1.00 0.00 ATOM 528 NH2 ARG A 67 6.532 -13.871 10.509 1.00 0.00 ATOM 529 N GLN A 68 0.096 -12.746 16.812 1.00 0.00 ATOM 530 CA GLN A 68 -0.523 -12.850 18.128 1.00 0.00 ATOM 531 C GLN A 68 -1.953 -13.346 17.908 1.00 0.00 ATOM 532 O GLN A 68 -2.752 -12.677 17.235 1.00 0.00 ATOM 533 CB GLN A 68 -0.576 -11.477 18.787 1.00 0.00 ATOM 534 CG GLN A 68 0.740 -10.734 18.790 1.00 0.00 ATOM 535 CD GLN A 68 0.580 -9.314 19.283 1.00 0.00 ATOM 536 OE1 GLN A 68 -0.143 -9.058 20.254 1.00 0.00 ATOM 537 NE2 GLN A 68 1.231 -8.375 18.605 1.00 0.00 ATOM 538 N ALA A 69 -2.282 -14.518 18.444 1.00 0.00 ATOM 539 CA ALA A 69 -3.633 -15.048 18.272 1.00 0.00 ATOM 540 C ALA A 69 -4.650 -14.208 19.042 1.00 0.00 ATOM 541 O ALA A 69 -5.828 -14.185 18.703 1.00 0.00 ATOM 542 CB ALA A 69 -3.694 -16.493 18.722 1.00 0.00 ATOM 543 N ASP A 70 -4.156 -13.463 20.027 1.00 0.00 ATOM 544 CA ASP A 70 -4.957 -12.602 20.899 1.00 0.00 ATOM 545 C ASP A 70 -5.062 -11.130 20.464 1.00 0.00 ATOM 546 O ASP A 70 -5.618 -10.317 21.204 1.00 0.00 ATOM 547 CB ASP A 70 -4.301 -12.595 22.278 1.00 0.00 ATOM 548 CG ASP A 70 -2.886 -11.993 22.239 1.00 0.00 ATOM 549 OD1 ASP A 70 -1.996 -12.610 21.596 1.00 0.00 ATOM 550 OD2 ASP A 70 -2.672 -10.889 22.809 1.00 0.00 ATOM 551 N PHE A 71 -4.484 -10.763 19.320 1.00 0.00 ATOM 552 CA PHE A 71 -4.517 -9.361 18.907 1.00 0.00 ATOM 553 C PHE A 71 -5.921 -8.788 18.767 1.00 0.00 ATOM 554 O PHE A 71 -6.803 -9.416 18.185 1.00 0.00 ATOM 555 CB PHE A 71 -3.692 -9.113 17.634 1.00 0.00 ATOM 556 CG PHE A 71 -3.423 -7.650 17.380 1.00 0.00 ATOM 557 CD1 PHE A 71 -2.673 -6.902 18.285 1.00 0.00 ATOM 558 CD2 PHE A 71 -3.980 -6.999 16.280 1.00 0.00 ATOM 559 CE1 PHE A 71 -2.489 -5.526 18.103 1.00 0.00 ATOM 560 CE2 PHE A 71 -3.803 -5.622 16.087 1.00 0.00 ATOM 561 CZ PHE A 71 -3.060 -4.886 17.000 1.00 0.00 ATOM 562 N MET A 72 -6.115 -7.596 19.332 1.00 0.00 ATOM 563 CA MET A 72 -7.402 -6.905 19.308 1.00 0.00 ATOM 564 C MET A 72 -7.413 -5.818 18.242 1.00 0.00 ATOM 565 O MET A 72 -6.597 -4.901 18.284 1.00 0.00 ATOM 566 CB MET A 72 -7.679 -6.246 20.670 1.00 0.00 ATOM 567 CG MET A 72 -7.254 -7.065 21.896 1.00 0.00 ATOM 568 SD MET A 72 -8.528 -8.140 22.645 1.00 0.00 ATOM 569 CE MET A 72 -8.880 -7.197 24.182 1.00 0.00 ATOM 570 N ALA A 73 -8.357 -5.901 17.309 1.00 0.00 ATOM 571 CA ALA A 73 -8.476 -4.908 16.247 1.00 0.00 ATOM 572 C ALA A 73 -9.953 -4.659 15.964 1.00 0.00 ATOM 573 O ALA A 73 -10.546 -5.334 15.137 1.00 0.00 ATOM 574 CB ALA A 73 -7.764 -5.397 14.986 1.00 0.00 ATOM 575 N SER A 74 -10.536 -3.677 16.646 1.00 0.00 ATOM 576 CA SER A 74 -11.952 -3.350 16.489 1.00 0.00 ATOM 577 C SER A 74 -12.408 -3.034 15.074 1.00 0.00 ATOM 578 O SER A 74 -11.904 -2.110 14.437 1.00 0.00 ATOM 579 CB SER A 74 -12.338 -2.195 17.415 1.00 0.00 ATOM 580 OG SER A 74 -12.160 -2.575 18.766 1.00 0.00 ATOM 581 N GLY A 75 -13.401 -3.781 14.605 1.00 0.00 ATOM 582 CA GLY A 75 -13.928 -3.561 13.270 1.00 0.00 ATOM 583 C GLY A 75 -13.099 -4.203 12.187 1.00 0.00 ATOM 584 O GLY A 75 -13.351 -3.987 11.009 1.00 0.00 ATOM 585 N ALA A 76 -12.100 -4.985 12.574 1.00 0.00 ATOM 586 CA ALA A 76 -11.255 -5.659 11.602 1.00 0.00 ATOM 587 C ALA A 76 -11.156 -7.136 11.898 1.00 0.00 ATOM 588 O ALA A 76 -11.456 -7.584 13.002 1.00 0.00 ATOM 589 CB ALA A 76 -9.874 -5.053 11.601 1.00 0.00 ATOM 590 N GLU A 77 -10.754 -7.895 10.889 1.00 0.00 ATOM 591 CA GLU A 77 -10.576 -9.328 11.025 1.00 0.00 ATOM 592 C GLU A 77 -9.089 -9.644 11.227 1.00 0.00 ATOM 593 O GLU A 77 -8.284 -9.400 10.337 1.00 0.00 ATOM 594 CB GLU A 77 -11.075 -10.031 9.761 1.00 0.00 ATOM 595 CG GLU A 77 -10.910 -11.532 9.809 1.00 0.00 ATOM 596 CD GLU A 77 -11.173 -12.201 8.489 1.00 0.00 ATOM 597 OE1 GLU A 77 -11.864 -13.240 8.480 1.00 0.00 ATOM 598 OE2 GLU A 77 -10.679 -11.698 7.459 1.00 0.00 ATOM 599 N VAL A 78 -8.727 -10.169 12.398 1.00 0.00 ATOM 600 CA VAL A 78 -7.336 -10.545 12.683 1.00 0.00 ATOM 601 C VAL A 78 -7.102 -11.997 12.277 1.00 0.00 ATOM 602 O VAL A 78 -7.868 -12.879 12.664 1.00 0.00 ATOM 603 CB VAL A 78 -6.974 -10.363 14.179 1.00 0.00 ATOM 604 CG1 VAL A 78 -5.564 -10.881 14.461 1.00 0.00 ATOM 605 CG2 VAL A 78 -7.055 -8.900 14.556 1.00 0.00 ATOM 606 N VAL A 79 -6.100 -12.217 11.423 1.00 0.00 ATOM 607 CA VAL A 79 -5.741 -13.550 10.951 1.00 0.00 ATOM 608 C VAL A 79 -4.259 -13.812 11.275 1.00 0.00 ATOM 609 O VAL A 79 -3.508 -12.875 11.535 1.00 0.00 ATOM 610 CB VAL A 79 -6.031 -13.718 9.430 1.00 0.00 ATOM 611 CG1 VAL A 79 -7.517 -13.536 9.164 1.00 0.00 ATOM 612 CG2 VAL A 79 -5.257 -12.709 8.616 1.00 0.00 ATOM 613 N GLY A 80 -3.850 -15.077 11.321 1.00 0.00 ATOM 614 CA GLY A 80 -2.464 -15.386 11.646 1.00 0.00 ATOM 615 C GLY A 80 -1.590 -15.801 10.478 1.00 0.00 ATOM 616 O GLY A 80 -0.383 -15.971 10.629 1.00 0.00 ATOM 617 N SER A 81 -2.181 -15.922 9.298 1.00 0.00 ATOM 618 CA SER A 81 -1.440 -16.337 8.120 1.00 0.00 ATOM 619 C SER A 81 -1.937 -15.606 6.890 1.00 0.00 ATOM 620 O SER A 81 -3.080 -15.138 6.856 1.00 0.00 ATOM 621 CB SER A 81 -1.613 -17.839 7.911 1.00 0.00 ATOM 622 OG SER A 81 -2.939 -18.151 7.497 1.00 0.00 ATOM 623 N LEU A 82 -1.098 -15.571 5.857 1.00 0.00 ATOM 624 CA LEU A 82 -1.438 -14.907 4.609 1.00 0.00 ATOM 625 C LEU A 82 -2.550 -15.645 3.878 1.00 0.00 ATOM 626 O LEU A 82 -3.398 -15.016 3.243 1.00 0.00 ATOM 627 CB LEU A 82 -0.217 -14.813 3.700 1.00 0.00 ATOM 628 CG LEU A 82 0.143 -13.496 3.001 1.00 0.00 ATOM 629 CD1 LEU A 82 0.510 -13.805 1.558 1.00 0.00 ATOM 630 CD2 LEU A 82 -0.985 -12.488 3.054 1.00 0.00 ATOM 631 N GLU A 83 -2.546 -16.973 3.965 1.00 0.00 ATOM 632 CA GLU A 83 -3.569 -17.786 3.304 1.00 0.00 ATOM 633 C GLU A 83 -4.973 -17.475 3.824 1.00 0.00 ATOM 634 O GLU A 83 -5.942 -17.546 3.077 1.00 0.00 ATOM 635 CB GLU A 83 -3.271 -19.283 3.458 1.00 0.00 ATOM 636 CG GLU A 83 -2.856 -19.700 4.872 1.00 0.00 ATOM 637 CD GLU A 83 -3.276 -21.131 5.243 1.00 0.00 ATOM 638 OE1 GLU A 83 -4.134 -21.708 4.526 1.00 0.00 ATOM 639 OE2 GLU A 83 -2.758 -21.669 6.259 1.00 0.00 ATOM 640 N GLU A 84 -5.075 -17.156 5.112 1.00 0.00 ATOM 641 CA GLU A 84 -6.358 -16.816 5.729 1.00 0.00 ATOM 642 C GLU A 84 -6.797 -15.392 5.350 1.00 0.00 ATOM 643 O GLU A 84 -7.980 -15.068 5.396 1.00 0.00 ATOM 644 CB GLU A 84 -6.267 -16.913 7.254 1.00 0.00 ATOM 645 CG GLU A 84 -6.098 -18.310 7.830 1.00 0.00 ATOM 646 CD GLU A 84 -5.602 -18.269 9.265 1.00 0.00 ATOM 647 OE1 GLU A 84 -6.149 -17.503 10.092 1.00 0.00 ATOM 648 OE2 GLU A 84 -4.637 -18.991 9.576 1.00 0.00 ATOM 649 N ALA A 85 -5.839 -14.545 4.991 1.00 0.00 ATOM 650 CA ALA A 85 -6.139 -13.168 4.618 1.00 0.00 ATOM 651 C ALA A 85 -6.518 -12.969 3.149 1.00 0.00 ATOM 652 O ALA A 85 -7.303 -12.087 2.829 1.00 0.00 ATOM 653 CB ALA A 85 -4.956 -12.282 4.972 1.00 0.00 ATOM 654 N LEU A 86 -5.994 -13.817 2.266 1.00 0.00 ATOM 655 CA LEU A 86 -6.232 -13.702 0.823 1.00 0.00 ATOM 656 C LEU A 86 -7.409 -14.446 0.199 1.00 0.00 ATOM 657 O LEU A 86 -7.500 -14.528 -1.027 1.00 0.00 ATOM 658 CB LEU A 86 -4.958 -14.093 0.079 1.00 0.00 ATOM 659 CG LEU A 86 -3.711 -13.324 0.510 1.00 0.00 ATOM 660 CD1 LEU A 86 -2.489 -13.923 -0.155 1.00 0.00 ATOM 661 CD2 LEU A 86 -3.849 -11.841 0.181 1.00 0.00 ATOM 662 N THR A 87 -8.341 -14.924 1.013 1.00 0.00 ATOM 663 CA THR A 87 -9.482 -15.685 0.496 1.00 0.00 ATOM 664 C THR A 87 -10.458 -14.963 -0.455 1.00 0.00 ATOM 665 O THR A 87 -11.192 -15.621 -1.196 1.00 0.00 ATOM 666 CB THR A 87 -10.261 -16.379 1.643 1.00 0.00 ATOM 667 OG1 THR A 87 -10.833 -15.388 2.498 1.00 0.00 ATOM 668 CG2 THR A 87 -9.328 -17.250 2.473 1.00 0.00 ATOM 669 N SER A 88 -10.469 -13.629 -0.460 1.00 0.00 ATOM 670 CA SER A 88 -11.369 -12.890 -1.358 1.00 0.00 ATOM 671 C SER A 88 -10.829 -12.829 -2.780 1.00 0.00 ATOM 672 O SER A 88 -9.619 -12.770 -2.989 1.00 0.00 ATOM 673 CB SER A 88 -11.582 -11.449 -0.879 1.00 0.00 ATOM 674 OG SER A 88 -12.191 -11.393 0.399 1.00 0.00 ATOM 675 N PRO A 89 -11.727 -12.838 -3.776 1.00 0.00 ATOM 676 CA PRO A 89 -11.437 -12.774 -5.217 1.00 0.00 ATOM 677 C PRO A 89 -10.666 -11.491 -5.598 1.00 0.00 ATOM 678 O PRO A 89 -9.812 -11.506 -6.489 1.00 0.00 ATOM 679 CB PRO A 89 -12.835 -12.798 -5.841 1.00 0.00 ATOM 680 CG PRO A 89 -13.581 -13.678 -4.903 1.00 0.00 ATOM 681 CD PRO A 89 -13.154 -13.133 -3.556 1.00 0.00 ATOM 682 N GLU A 90 -11.030 -10.367 -4.991 1.00 0.00 ATOM 683 CA GLU A 90 -10.314 -9.133 -5.244 1.00 0.00 ATOM 684 C GLU A 90 -9.851 -8.588 -3.895 1.00 0.00 ATOM 685 O GLU A 90 -10.646 -8.095 -3.098 1.00 0.00 ATOM 686 CB GLU A 90 -11.158 -8.111 -6.018 1.00 0.00 ATOM 687 CG GLU A 90 -10.470 -6.737 -6.112 1.00 0.00 ATOM 688 CD GLU A 90 -10.793 -5.940 -7.369 1.00 0.00 ATOM 689 OE1 GLU A 90 -10.209 -4.841 -7.532 1.00 0.00 ATOM 690 OE2 GLU A 90 -11.613 -6.404 -8.191 1.00 0.00 ATOM 691 N THR A 91 -8.562 -8.749 -3.620 1.00 0.00 ATOM 692 CA THR A 91 -7.987 -8.290 -2.363 1.00 0.00 ATOM 693 C THR A 91 -6.901 -7.250 -2.603 1.00 0.00 ATOM 694 O THR A 91 -6.103 -7.375 -3.525 1.00 0.00 ATOM 695 CB THR A 91 -7.353 -9.470 -1.583 1.00 0.00 ATOM 696 OG1 THR A 91 -8.350 -10.453 -1.285 1.00 0.00 ATOM 697 CG2 THR A 91 -6.709 -8.984 -0.290 1.00 0.00 ATOM 698 N TRP A 92 -6.887 -6.203 -1.798 1.00 0.00 ATOM 699 CA TRP A 92 -5.841 -5.209 -1.935 1.00 0.00 ATOM 700 C TRP A 92 -4.993 -5.189 -0.688 1.00 0.00 ATOM 701 O TRP A 92 -5.511 -5.080 0.428 1.00 0.00 ATOM 702 CB TRP A 92 -6.406 -3.819 -2.239 1.00 0.00 ATOM 703 CG TRP A 92 -6.840 -3.700 -3.688 1.00 0.00 ATOM 704 CD1 TRP A 92 -8.097 -3.925 -4.200 1.00 0.00 ATOM 705 CD2 TRP A 92 -5.997 -3.415 -4.813 1.00 0.00 ATOM 706 NE1 TRP A 92 -8.075 -3.807 -5.572 1.00 0.00 ATOM 707 CE2 TRP A 92 -6.801 -3.494 -5.971 1.00 0.00 ATOM 708 CE3 TRP A 92 -4.640 -3.109 -4.952 1.00 0.00 ATOM 709 CZ2 TRP A 92 -6.288 -3.275 -7.249 1.00 0.00 ATOM 710 CZ3 TRP A 92 -4.131 -2.895 -6.222 1.00 0.00 ATOM 711 CH2 TRP A 92 -4.953 -2.980 -7.353 1.00 0.00 ATOM 712 N VAL A 93 -3.696 -5.403 -0.880 1.00 0.00 ATOM 713 CA VAL A 93 -2.737 -5.390 0.215 1.00 0.00 ATOM 714 C VAL A 93 -2.320 -3.918 0.328 1.00 0.00 ATOM 715 O VAL A 93 -1.733 -3.341 -0.589 1.00 0.00 ATOM 716 CB VAL A 93 -1.543 -6.356 -0.088 1.00 0.00 ATOM 717 CG1 VAL A 93 -0.453 -6.231 0.981 1.00 0.00 ATOM 718 CG2 VAL A 93 -2.067 -7.819 -0.149 1.00 0.00 ATOM 719 N ILE A 94 -2.705 -3.297 1.434 1.00 0.00 ATOM 720 CA ILE A 94 -2.450 -1.881 1.632 1.00 0.00 ATOM 721 C ILE A 94 -1.280 -1.565 2.511 1.00 0.00 ATOM 722 O ILE A 94 -1.079 -0.421 2.920 1.00 0.00 ATOM 723 CB ILE A 94 -3.680 -1.159 2.190 1.00 0.00 ATOM 724 CG1 ILE A 94 -3.939 -1.571 3.636 1.00 0.00 ATOM 725 CG2 ILE A 94 -4.881 -1.488 1.344 1.00 0.00 ATOM 726 CD1 ILE A 94 -4.702 -0.520 4.417 1.00 0.00 ATOM 727 N GLY A 95 -0.506 -2.567 2.848 1.00 0.00 ATOM 728 CA GLY A 95 0.590 -2.201 3.664 1.00 0.00 ATOM 729 C GLY A 95 1.327 -3.110 4.559 1.00 0.00 ATOM 730 O GLY A 95 0.788 -3.999 5.215 1.00 0.00 ATOM 731 N GLY A 96 2.465 -2.477 4.818 1.00 0.00 ATOM 732 CA GLY A 96 3.544 -2.934 5.611 1.00 0.00 ATOM 733 C GLY A 96 4.637 -3.260 4.622 1.00 0.00 ATOM 734 O GLY A 96 4.343 -3.849 3.585 1.00 0.00 ATOM 735 N GLY A 97 5.862 -2.815 4.875 1.00 0.00 ATOM 736 CA GLY A 97 6.939 -3.206 3.996 1.00 0.00 ATOM 737 C GLY A 97 7.032 -4.728 4.096 1.00 0.00 ATOM 738 O GLY A 97 7.251 -5.417 3.097 1.00 0.00 ATOM 739 N GLN A 98 6.803 -5.276 5.286 1.00 0.00 ATOM 740 CA GLN A 98 6.843 -6.731 5.475 1.00 0.00 ATOM 741 C GLN A 98 5.736 -7.460 4.721 1.00 0.00 ATOM 742 O GLN A 98 5.980 -8.455 4.028 1.00 0.00 ATOM 743 CB GLN A 98 6.720 -7.107 6.947 1.00 0.00 ATOM 744 CG GLN A 98 7.919 -6.744 7.793 1.00 0.00 ATOM 745 CD GLN A 98 7.688 -7.009 9.261 1.00 0.00 ATOM 746 OE1 GLN A 98 7.983 -6.160 10.118 1.00 0.00 ATOM 747 NE2 GLN A 98 7.154 -8.189 9.569 1.00 0.00 ATOM 748 N VAL A 99 4.514 -6.979 4.871 1.00 0.00 ATOM 749 CA VAL A 99 3.395 -7.616 4.214 1.00 0.00 ATOM 750 C VAL A 99 3.432 -7.530 2.696 1.00 0.00 ATOM 751 O VAL A 99 2.984 -8.459 2.027 1.00 0.00 ATOM 752 CB VAL A 99 2.065 -7.123 4.799 1.00 0.00 ATOM 753 CG1 VAL A 99 0.892 -7.760 4.092 1.00 0.00 ATOM 754 CG2 VAL A 99 2.009 -7.497 6.266 1.00 0.00 ATOM 755 N TYR A 100 3.999 -6.461 2.141 1.00 0.00 ATOM 756 CA TYR A 100 4.101 -6.343 0.682 1.00 0.00 ATOM 757 C TYR A 100 5.042 -7.428 0.165 1.00 0.00 ATOM 758 O TYR A 100 4.808 -8.021 -0.890 1.00 0.00 ATOM 759 CB TYR A 100 4.669 -4.981 0.248 1.00 0.00 ATOM 760 CG TYR A 100 3.735 -3.785 0.367 1.00 0.00 ATOM 761 CD1 TYR A 100 4.187 -2.597 0.943 1.00 0.00 ATOM 762 CD2 TYR A 100 2.416 -3.836 -0.096 1.00 0.00 ATOM 763 CE1 TYR A 100 3.355 -1.488 1.058 1.00 0.00 ATOM 764 CE2 TYR A 100 1.576 -2.731 0.015 1.00 0.00 ATOM 765 CZ TYR A 100 2.060 -1.555 0.596 1.00 0.00 ATOM 766 OH TYR A 100 1.275 -0.423 0.714 1.00 0.00 ATOM 767 N ALA A 101 6.131 -7.657 0.895 1.00 0.00 ATOM 768 CA ALA A 101 7.120 -8.670 0.520 1.00 0.00 ATOM 769 C ALA A 101 6.498 -10.049 0.572 1.00 0.00 ATOM 770 O ALA A 101 6.722 -10.887 -0.299 1.00 0.00 ATOM 771 CB ALA A 101 8.287 -8.616 1.471 1.00 0.00 ATOM 772 N LEU A 102 5.715 -10.268 1.617 1.00 0.00 ATOM 773 CA LEU A 102 5.028 -11.521 1.854 1.00 0.00 ATOM 774 C LEU A 102 3.987 -11.820 0.768 1.00 0.00 ATOM 775 O LEU A 102 3.904 -12.945 0.259 1.00 0.00 ATOM 776 CB LEU A 102 4.338 -11.419 3.215 1.00 0.00 ATOM 777 CG LEU A 102 3.989 -12.625 4.091 1.00 0.00 ATOM 778 CD1 LEU A 102 5.269 -13.374 4.514 1.00 0.00 ATOM 779 CD2 LEU A 102 3.237 -12.115 5.335 1.00 0.00 ATOM 780 N ALA A 103 3.219 -10.800 0.390 1.00 0.00 ATOM 781 CA ALA A 103 2.151 -10.947 -0.595 1.00 0.00 ATOM 782 C ALA A 103 2.513 -10.774 -2.066 1.00 0.00 ATOM 783 O ALA A 103 1.741 -11.163 -2.933 1.00 0.00 ATOM 784 CB ALA A 103 1.011 -10.008 -0.236 1.00 0.00 ATOM 785 N LEU A 104 3.670 -10.189 -2.357 1.00 0.00 ATOM 786 CA LEU A 104 4.079 -9.957 -3.740 1.00 0.00 ATOM 787 C LEU A 104 3.924 -11.172 -4.652 1.00 0.00 ATOM 788 O LEU A 104 3.342 -11.054 -5.736 1.00 0.00 ATOM 789 CB LEU A 104 5.526 -9.475 -3.793 1.00 0.00 ATOM 790 CG LEU A 104 6.030 -8.441 -4.803 1.00 0.00 ATOM 791 CD1 LEU A 104 7.479 -8.762 -5.100 1.00 0.00 ATOM 792 CD2 LEU A 104 5.251 -8.430 -6.068 1.00 0.00 ATOM 793 N PRO A 105 4.418 -12.364 -4.229 1.00 0.00 ATOM 794 CA PRO A 105 4.253 -13.497 -5.148 1.00 0.00 ATOM 795 C PRO A 105 2.818 -13.896 -5.522 1.00 0.00 ATOM 796 O PRO A 105 2.592 -14.447 -6.584 1.00 0.00 ATOM 797 CB PRO A 105 5.071 -14.619 -4.491 1.00 0.00 ATOM 798 CG PRO A 105 5.286 -14.202 -3.104 1.00 0.00 ATOM 799 CD PRO A 105 5.311 -12.709 -3.106 1.00 0.00 ATOM 800 N TYR A 106 1.846 -13.533 -4.692 1.00 0.00 ATOM 801 CA TYR A 106 0.444 -13.847 -4.938 1.00 0.00 ATOM 802 C TYR A 106 -0.211 -12.772 -5.786 1.00 0.00 ATOM 803 O TYR A 106 -1.327 -12.951 -6.260 1.00 0.00 ATOM 804 CB TYR A 106 -0.313 -13.921 -3.609 1.00 0.00 ATOM 805 CG TYR A 106 0.192 -14.985 -2.686 1.00 0.00 ATOM 806 CD1 TYR A 106 1.329 -14.779 -1.894 1.00 0.00 ATOM 807 CD2 TYR A 106 -0.403 -16.245 -2.674 1.00 0.00 ATOM 808 CE1 TYR A 106 1.870 -15.828 -1.121 1.00 0.00 ATOM 809 CE2 TYR A 106 0.128 -17.292 -1.912 1.00 0.00 ATOM 810 CZ TYR A 106 1.263 -17.084 -1.149 1.00 0.00 ATOM 811 OH TYR A 106 1.816 -18.160 -0.486 1.00 0.00 ATOM 812 N ALA A 107 0.501 -11.667 -5.984 1.00 0.00 ATOM 813 CA ALA A 107 -0.020 -10.522 -6.724 1.00 0.00 ATOM 814 C ALA A 107 0.081 -10.514 -8.251 1.00 0.00 ATOM 815 O ALA A 107 1.050 -10.992 -8.828 1.00 0.00 ATOM 816 CB ALA A 107 0.604 -9.242 -6.167 1.00 0.00 ATOM 817 N THR A 108 -0.934 -9.936 -8.886 1.00 0.00 ATOM 818 CA THR A 108 -0.972 -9.789 -10.332 1.00 0.00 ATOM 819 C THR A 108 -1.245 -8.342 -10.703 1.00 0.00 ATOM 820 O THR A 108 -1.366 -8.020 -11.876 1.00 0.00 ATOM 821 CB THR A 108 -2.020 -10.685 -10.989 1.00 0.00 ATOM 822 OG1 THR A 108 -3.235 -10.632 -10.243 1.00 0.00 ATOM 823 CG2 THR A 108 -1.516 -12.129 -11.047 1.00 0.00 ATOM 824 N ARG A 109 -1.342 -7.471 -9.701 1.00 0.00 ATOM 825 CA ARG A 109 -1.564 -6.034 -9.912 1.00 0.00 ATOM 826 C ARG A 109 -0.864 -5.196 -8.845 1.00 0.00 ATOM 827 O ARG A 109 -0.805 -5.584 -7.677 1.00 0.00 ATOM 828 CB ARG A 109 -3.063 -5.674 -9.881 1.00 0.00 ATOM 829 CG ARG A 109 -3.816 -5.918 -11.163 1.00 0.00 ATOM 830 CD ARG A 109 -5.182 -5.266 -11.109 1.00 0.00 ATOM 831 NE ARG A 109 -5.137 -3.799 -11.111 1.00 0.00 ATOM 832 CZ ARG A 109 -6.198 -3.011 -10.913 1.00 0.00 ATOM 833 NH1 ARG A 109 -7.406 -3.532 -10.703 1.00 0.00 ATOM 834 NH2 ARG A 109 -6.042 -1.698 -10.848 1.00 0.00 ATOM 835 N CYS A 110 -0.318 -4.054 -9.260 1.00 0.00 ATOM 836 CA CYS A 110 0.324 -3.116 -8.344 1.00 0.00 ATOM 837 C CYS A 110 -0.106 -1.728 -8.763 1.00 0.00 ATOM 838 O CYS A 110 -0.067 -1.409 -9.940 1.00 0.00 ATOM 839 CB CYS A 110 1.845 -3.188 -8.421 1.00 0.00 ATOM 840 SG CYS A 110 2.590 -4.558 -7.552 1.00 0.00 ATOM 841 N GLU A 111 -0.565 -0.926 -7.810 1.00 0.00 ATOM 842 CA GLU A 111 -0.968 0.459 -8.070 1.00 0.00 ATOM 843 C GLU A 111 -0.006 1.265 -7.226 1.00 0.00 ATOM 844 O GLU A 111 -0.045 1.236 -5.995 1.00 0.00 ATOM 845 CB GLU A 111 -2.420 0.707 -7.663 1.00 0.00 ATOM 846 CG GLU A 111 -3.431 0.052 -8.596 1.00 0.00 ATOM 847 CD GLU A 111 -3.371 0.585 -10.039 1.00 0.00 ATOM 848 OE1 GLU A 111 -2.892 1.719 -10.252 1.00 0.00 ATOM 849 OE2 GLU A 111 -3.815 -0.132 -10.960 1.00 0.00 ATOM 850 N VAL A 112 0.886 1.964 -7.910 1.00 0.00 ATOM 851 CA VAL A 112 1.950 2.703 -7.257 1.00 0.00 ATOM 852 C VAL A 112 1.936 4.199 -7.480 1.00 0.00 ATOM 853 O VAL A 112 1.686 4.675 -8.588 1.00 0.00 ATOM 854 CB VAL A 112 3.320 2.173 -7.757 1.00 0.00 ATOM 855 CG1 VAL A 112 4.485 2.886 -7.050 1.00 0.00 ATOM 856 CG2 VAL A 112 3.397 0.645 -7.589 1.00 0.00 ATOM 857 N THR A 113 2.250 4.933 -6.421 1.00 0.00 ATOM 858 CA THR A 113 2.326 6.382 -6.494 1.00 0.00 ATOM 859 C THR A 113 3.775 6.733 -6.215 1.00 0.00 ATOM 860 O THR A 113 4.294 6.386 -5.157 1.00 0.00 ATOM 861 CB THR A 113 1.450 7.040 -5.415 1.00 0.00 ATOM 862 OG1 THR A 113 0.076 6.739 -5.670 1.00 0.00 ATOM 863 CG2 THR A 113 1.653 8.558 -5.396 1.00 0.00 ATOM 864 N GLU A 114 4.460 7.349 -7.178 1.00 0.00 ATOM 865 CA GLU A 114 5.842 7.752 -6.930 1.00 0.00 ATOM 866 C GLU A 114 5.846 9.221 -6.507 1.00 0.00 ATOM 867 O GLU A 114 5.254 10.064 -7.189 1.00 0.00 ATOM 868 CB GLU A 114 6.712 7.585 -8.166 1.00 0.00 ATOM 869 CG GLU A 114 8.168 7.951 -7.888 1.00 0.00 ATOM 870 CD GLU A 114 9.042 8.012 -9.134 1.00 0.00 ATOM 871 OE1 GLU A 114 8.547 7.750 -10.250 1.00 0.00 ATOM 872 OE2 GLU A 114 10.242 8.332 -8.995 1.00 0.00 ATOM 873 N VAL A 115 6.474 9.505 -5.365 1.00 0.00 ATOM 874 CA VAL A 115 6.584 10.855 -4.828 1.00 0.00 ATOM 875 C VAL A 115 8.000 11.383 -5.091 1.00 0.00 ATOM 876 O VAL A 115 8.995 10.803 -4.650 1.00 0.00 ATOM 877 CB VAL A 115 6.260 10.879 -3.330 1.00 0.00 ATOM 878 CG1 VAL A 115 6.280 12.310 -2.791 1.00 0.00 ATOM 879 CG2 VAL A 115 4.902 10.273 -3.105 1.00 0.00 ATOM 880 N ASP A 116 8.076 12.467 -5.858 1.00 0.00 ATOM 881 CA ASP A 116 9.348 13.079 -6.221 1.00 0.00 ATOM 882 C ASP A 116 9.914 13.906 -5.065 1.00 0.00 ATOM 883 O ASP A 116 9.948 15.137 -5.109 1.00 0.00 ATOM 884 CB ASP A 116 9.147 13.935 -7.472 1.00 0.00 ATOM 885 CG ASP A 116 10.450 14.425 -8.082 1.00 0.00 ATOM 886 OD1 ASP A 116 11.541 14.097 -7.581 1.00 0.00 ATOM 887 OD2 ASP A 116 10.378 15.162 -9.082 1.00 0.00 ATOM 888 N ILE A 117 10.376 13.207 -4.034 1.00 0.00 ATOM 889 CA ILE A 117 10.947 13.838 -2.850 1.00 0.00 ATOM 890 C ILE A 117 12.326 13.221 -2.584 1.00 0.00 ATOM 891 O ILE A 117 12.537 12.035 -2.846 1.00 0.00 ATOM 892 CB ILE A 117 10.022 13.615 -1.631 1.00 0.00 ATOM 893 CG1 ILE A 117 10.591 14.288 -0.386 1.00 0.00 ATOM 894 CG2 ILE A 117 9.804 12.105 -1.380 1.00 0.00 ATOM 895 CD1 ILE A 117 9.731 14.076 0.851 1.00 0.00 ATOM 896 N GLY A 118 13.274 14.044 -2.142 1.00 0.00 ATOM 897 CA GLY A 118 14.614 13.557 -1.840 1.00 0.00 ATOM 898 C GLY A 118 14.573 12.932 -0.468 1.00 0.00 ATOM 899 O GLY A 118 14.466 13.631 0.533 1.00 0.00 ATOM 900 N LEU A 119 14.680 11.611 -0.414 1.00 0.00 ATOM 901 CA LEU A 119 14.581 10.903 0.856 1.00 0.00 ATOM 902 C LEU A 119 15.355 9.590 0.793 1.00 0.00 ATOM 903 O LEU A 119 14.763 8.521 0.684 1.00 0.00 ATOM 904 CB LEU A 119 13.096 10.615 1.122 1.00 0.00 ATOM 905 CG LEU A 119 12.531 10.508 2.535 1.00 0.00 ATOM 906 CD1 LEU A 119 12.711 11.837 3.243 1.00 0.00 ATOM 907 CD2 LEU A 119 11.053 10.139 2.455 1.00 0.00 ATOM 908 N PRO A 120 16.693 9.657 0.840 1.00 0.00 ATOM 909 CA PRO A 120 17.548 8.461 0.788 1.00 0.00 ATOM 910 C PRO A 120 17.163 7.443 1.864 1.00 0.00 ATOM 911 O PRO A 120 16.686 7.823 2.940 1.00 0.00 ATOM 912 CB PRO A 120 18.941 9.040 1.040 1.00 0.00 ATOM 913 CG PRO A 120 18.851 10.414 0.431 1.00 0.00 ATOM 914 CD PRO A 120 17.504 10.885 0.924 1.00 0.00 ATOM 915 N ARG A 121 17.358 6.157 1.577 1.00 0.00 ATOM 916 CA ARG A 121 17.019 5.108 2.537 1.00 0.00 ATOM 917 C ARG A 121 17.898 5.226 3.759 1.00 0.00 ATOM 918 O ARG A 121 19.066 5.586 3.661 1.00 0.00 ATOM 919 CB ARG A 121 17.255 3.702 1.973 1.00 0.00 ATOM 920 CG ARG A 121 16.642 3.391 0.625 1.00 0.00 ATOM 921 CD ARG A 121 17.323 2.150 0.014 1.00 0.00 ATOM 922 NE ARG A 121 17.316 2.135 -1.453 1.00 0.00 ATOM 923 CZ ARG A 121 17.717 3.145 -2.236 1.00 0.00 ATOM 924 NH1 ARG A 121 18.167 4.289 -1.717 1.00 0.00 ATOM 925 NH2 ARG A 121 17.674 3.011 -3.558 1.00 0.00 ATOM 926 N GLU A 122 17.322 4.896 4.904 1.00 0.00 ATOM 927 CA GLU A 122 18.017 4.887 6.173 1.00 0.00 ATOM 928 C GLU A 122 17.719 3.524 6.771 1.00 0.00 ATOM 929 O GLU A 122 16.665 2.952 6.515 1.00 0.00 ATOM 930 CB GLU A 122 17.499 5.996 7.080 1.00 0.00 ATOM 931 CG GLU A 122 18.024 7.358 6.694 1.00 0.00 ATOM 932 CD GLU A 122 17.303 8.496 7.380 1.00 0.00 ATOM 933 OE1 GLU A 122 17.475 9.642 6.927 1.00 0.00 ATOM 934 OE2 GLU A 122 16.552 8.264 8.350 1.00 0.00 ATOM 935 N ALA A 123 18.659 2.988 7.539 1.00 0.00 ATOM 936 CA ALA A 123 18.494 1.682 8.160 1.00 0.00 ATOM 937 C ALA A 123 17.209 1.614 8.962 1.00 0.00 ATOM 938 O ALA A 123 16.914 2.516 9.738 1.00 0.00 ATOM 939 CB ALA A 123 19.660 1.393 9.060 1.00 0.00 ATOM 940 N GLY A 124 16.431 0.561 8.756 1.00 0.00 ATOM 941 CA GLY A 124 15.198 0.425 9.505 1.00 0.00 ATOM 942 C GLY A 124 13.936 0.962 8.866 1.00 0.00 ATOM 943 O GLY A 124 12.855 0.763 9.414 1.00 0.00 ATOM 944 N ASP A 125 14.056 1.632 7.721 1.00 0.00 ATOM 945 CA ASP A 125 12.905 2.200 7.006 1.00 0.00 ATOM 946 C ASP A 125 12.052 1.107 6.406 1.00 0.00 ATOM 947 O ASP A 125 12.560 0.040 6.085 1.00 0.00 ATOM 948 CB ASP A 125 13.369 3.032 5.802 1.00 0.00 ATOM 949 CG ASP A 125 13.855 4.413 6.174 1.00 0.00 ATOM 950 OD1 ASP A 125 13.781 4.828 7.345 1.00 0.00 ATOM 951 OD2 ASP A 125 14.319 5.093 5.250 1.00 0.00 ATOM 952 N ALA A 126 10.768 1.386 6.212 1.00 0.00 ATOM 953 CA ALA A 126 9.892 0.429 5.548 1.00 0.00 ATOM 954 C ALA A 126 10.125 0.742 4.061 1.00 0.00 ATOM 955 O ALA A 126 10.179 1.916 3.663 1.00 0.00 ATOM 956 CB ALA A 126 8.433 0.666 5.936 1.00 0.00 ATOM 957 N LEU A 127 10.343 -0.297 3.260 1.00 0.00 ATOM 958 CA LEU A 127 10.599 -0.117 1.842 1.00 0.00 ATOM 959 C LEU A 127 9.588 -0.810 0.976 1.00 0.00 ATOM 960 O LEU A 127 9.004 -1.815 1.354 1.00 0.00 ATOM 961 CB LEU A 127 11.983 -0.653 1.477 1.00 0.00 ATOM 962 CG LEU A 127 13.172 -0.072 2.242 1.00 0.00 ATOM 963 CD1 LEU A 127 14.415 -0.859 1.917 1.00 0.00 ATOM 964 CD2 LEU A 127 13.344 1.382 1.878 1.00 0.00 ATOM 965 N ALA A 128 9.429 -0.283 -0.226 1.00 0.00 ATOM 966 CA ALA A 128 8.505 -0.830 -1.206 1.00 0.00 ATOM 967 C ALA A 128 9.127 -2.073 -1.844 1.00 0.00 ATOM 968 O ALA A 128 10.356 -2.229 -1.851 1.00 0.00 ATOM 969 CB ALA A 128 8.241 0.212 -2.268 1.00 0.00 ATOM 970 N PRO A 129 8.292 -3.006 -2.333 1.00 0.00 ATOM 971 CA PRO A 129 8.858 -4.202 -2.959 1.00 0.00 ATOM 972 C PRO A 129 9.407 -3.832 -4.339 1.00 0.00 ATOM 973 O PRO A 129 8.961 -2.857 -4.947 1.00 0.00 ATOM 974 CB PRO A 129 7.649 -5.130 -3.055 1.00 0.00 ATOM 975 CG PRO A 129 6.516 -4.183 -3.247 1.00 0.00 ATOM 976 CD PRO A 129 6.823 -3.096 -2.252 1.00 0.00 ATOM 977 N VAL A 130 10.433 -4.552 -4.795 1.00 0.00 ATOM 978 CA VAL A 130 11.017 -4.279 -6.108 1.00 0.00 ATOM 979 C VAL A 130 10.292 -5.126 -7.140 1.00 0.00 ATOM 980 O VAL A 130 10.098 -6.319 -6.932 1.00 0.00 ATOM 981 CB VAL A 130 12.525 -4.613 -6.169 1.00 0.00 ATOM 982 CG1 VAL A 130 13.093 -4.182 -7.525 1.00 0.00 ATOM 983 CG2 VAL A 130 13.273 -3.896 -5.048 1.00 0.00 ATOM 984 N LEU A 131 9.849 -4.489 -8.219 1.00 0.00 ATOM 985 CA LEU A 131 9.134 -5.182 -9.277 1.00 0.00 ATOM 986 C LEU A 131 10.103 -5.605 -10.373 1.00 0.00 ATOM 987 O LEU A 131 10.759 -4.772 -11.000 1.00 0.00 ATOM 988 CB LEU A 131 8.019 -4.297 -9.842 1.00 0.00 ATOM 989 CG LEU A 131 7.028 -3.761 -8.800 1.00 0.00 ATOM 990 CD1 LEU A 131 5.901 -3.052 -9.496 1.00 0.00 ATOM 991 CD2 LEU A 131 6.488 -4.882 -7.946 1.00 0.00 ATOM 992 N ASP A 132 10.242 -6.914 -10.544 1.00 0.00 ATOM 993 CA ASP A 132 11.139 -7.447 -11.556 1.00 0.00 ATOM 994 C ASP A 132 10.514 -7.379 -12.950 1.00 0.00 ATOM 995 O ASP A 132 9.450 -6.783 -13.132 1.00 0.00 ATOM 996 CB ASP A 132 11.580 -8.867 -11.194 1.00 0.00 ATOM 997 CG ASP A 132 10.433 -9.865 -11.181 1.00 0.00 ATOM 998 OD1 ASP A 132 10.629 -10.970 -10.635 1.00 0.00 ATOM 999 OD2 ASP A 132 9.343 -9.576 -11.717 1.00 0.00 ATOM 1000 N GLU A 133 11.137 -8.042 -13.920 1.00 0.00 ATOM 1001 CA GLU A 133 10.622 -7.982 -15.272 1.00 0.00 ATOM 1002 C GLU A 133 9.421 -8.837 -15.618 1.00 0.00 ATOM 1003 O GLU A 133 9.065 -8.926 -16.783 1.00 0.00 ATOM 1004 CB GLU A 133 11.740 -8.134 -16.304 1.00 0.00 ATOM 1005 CG GLU A 133 11.960 -6.869 -17.171 1.00 0.00 ATOM 1006 CD GLU A 133 10.889 -6.672 -18.276 1.00 0.00 ATOM 1007 OE1 GLU A 133 9.817 -6.067 -17.993 1.00 0.00 ATOM 1008 OE2 GLU A 133 11.128 -7.114 -19.436 1.00 0.00 ATOM 1009 N THR A 134 8.775 -9.446 -14.623 1.00 0.00 ATOM 1010 CA THR A 134 7.565 -10.228 -14.898 1.00 0.00 ATOM 1011 C THR A 134 6.405 -9.236 -15.006 1.00 0.00 ATOM 1012 O THR A 134 5.350 -9.541 -15.569 1.00 0.00 ATOM 1013 CB THR A 134 7.241 -11.272 -13.784 1.00 0.00 ATOM 1014 OG1 THR A 134 7.174 -10.640 -12.496 1.00 0.00 ATOM 1015 CG2 THR A 134 8.288 -12.354 -13.756 1.00 0.00 ATOM 1016 N TRP A 135 6.651 -8.020 -14.516 1.00 0.00 ATOM 1017 CA TRP A 135 5.669 -6.943 -14.495 1.00 0.00 ATOM 1018 C TRP A 135 5.685 -6.022 -15.704 1.00 0.00 ATOM 1019 O TRP A 135 6.748 -5.619 -16.170 1.00 0.00 ATOM 1020 CB TRP A 135 5.891 -6.094 -13.247 1.00 0.00 ATOM 1021 CG TRP A 135 5.656 -6.832 -11.967 1.00 0.00 ATOM 1022 CD1 TRP A 135 6.596 -7.416 -11.167 1.00 0.00 ATOM 1023 CD2 TRP A 135 4.400 -7.011 -11.307 1.00 0.00 ATOM 1024 NE1 TRP A 135 6.003 -7.938 -10.044 1.00 0.00 ATOM 1025 CE2 TRP A 135 4.654 -7.701 -10.105 1.00 0.00 ATOM 1026 CE3 TRP A 135 3.080 -6.646 -11.611 1.00 0.00 ATOM 1027 CZ2 TRP A 135 3.639 -8.033 -9.205 1.00 0.00 ATOM 1028 CZ3 TRP A 135 2.074 -6.976 -10.716 1.00 0.00 ATOM 1029 CH2 TRP A 135 2.359 -7.663 -9.528 1.00 0.00 ATOM 1030 N ARG A 136 4.497 -5.675 -16.188 1.00 0.00 ATOM 1031 CA ARG A 136 4.332 -4.750 -17.309 1.00 0.00 ATOM 1032 C ARG A 136 3.676 -3.501 -16.722 1.00 0.00 ATOM 1033 O ARG A 136 2.680 -3.609 -16.004 1.00 0.00 ATOM 1034 CB ARG A 136 3.393 -5.332 -18.371 1.00 0.00 ATOM 1035 CG ARG A 136 3.955 -6.493 -19.180 1.00 0.00 ATOM 1036 CD ARG A 136 3.807 -7.829 -18.453 1.00 0.00 ATOM 1037 NE ARG A 136 2.405 -8.195 -18.226 1.00 0.00 ATOM 1038 CZ ARG A 136 1.722 -9.078 -18.959 1.00 0.00 ATOM 1039 NH1 ARG A 136 2.310 -9.695 -19.982 1.00 0.00 ATOM 1040 NH2 ARG A 136 0.455 -9.367 -18.652 1.00 0.00 ATOM 1041 N GLY A 137 4.192 -2.318 -17.032 1.00 0.00 ATOM 1042 CA GLY A 137 3.575 -1.127 -16.474 1.00 0.00 ATOM 1043 C GLY A 137 3.272 0.049 -17.386 1.00 0.00 ATOM 1044 O GLY A 137 3.739 0.110 -18.520 1.00 0.00 ATOM 1045 N GLU A 138 2.428 0.954 -16.892 1.00 0.00 ATOM 1046 CA GLU A 138 2.061 2.179 -17.603 1.00 0.00 ATOM 1047 C GLU A 138 2.295 3.306 -16.628 1.00 0.00 ATOM 1048 O GLU A 138 1.770 3.286 -15.521 1.00 0.00 ATOM 1049 CB GLU A 138 0.591 2.204 -18.014 1.00 0.00 ATOM 1050 CG GLU A 138 0.143 1.014 -18.794 1.00 0.00 ATOM 1051 CD GLU A 138 -0.638 0.069 -17.923 1.00 0.00 ATOM 1052 OE1 GLU A 138 -0.100 -1.010 -17.568 1.00 0.00 ATOM 1053 OE2 GLU A 138 -1.787 0.433 -17.571 1.00 0.00 ATOM 1054 N THR A 139 3.092 4.279 -17.051 1.00 0.00 ATOM 1055 CA THR A 139 3.432 5.435 -16.238 1.00 0.00 ATOM 1056 C THR A 139 2.562 6.631 -16.593 1.00 0.00 ATOM 1057 O THR A 139 2.492 7.021 -17.758 1.00 0.00 ATOM 1058 CB THR A 139 4.883 5.844 -16.474 1.00 0.00 ATOM 1059 OG1 THR A 139 5.706 4.672 -16.522 1.00 0.00 ATOM 1060 CG2 THR A 139 5.361 6.738 -15.355 1.00 0.00 ATOM 1061 N GLY A 140 1.903 7.203 -15.588 1.00 0.00 ATOM 1062 CA GLY A 140 1.067 8.368 -15.804 1.00 0.00 ATOM 1063 C GLY A 140 1.920 9.620 -15.839 1.00 0.00 ATOM 1064 O GLY A 140 3.127 9.553 -15.641 1.00 0.00 ATOM 1065 N GLU A 141 1.293 10.766 -16.070 1.00 0.00 ATOM 1066 CA GLU A 141 2.012 12.031 -16.141 1.00 0.00 ATOM 1067 C GLU A 141 2.264 12.626 -14.778 1.00 0.00 ATOM 1068 O GLU A 141 1.414 12.541 -13.901 1.00 0.00 ATOM 1069 CB GLU A 141 1.232 13.042 -16.983 1.00 0.00 ATOM 1070 CG GLU A 141 1.127 12.675 -18.468 1.00 0.00 ATOM 1071 CD GLU A 141 2.486 12.537 -19.158 1.00 0.00 ATOM 1072 OE1 GLU A 141 2.698 11.511 -19.846 1.00 0.00 ATOM 1073 OE2 GLU A 141 3.340 13.446 -19.019 1.00 0.00 ATOM 1074 N TRP A 142 3.437 13.226 -14.603 1.00 0.00 ATOM 1075 CA TRP A 142 3.771 13.864 -13.341 1.00 0.00 ATOM 1076 C TRP A 142 2.756 14.987 -13.098 1.00 0.00 ATOM 1077 O TRP A 142 2.270 15.606 -14.042 1.00 0.00 ATOM 1078 CB TRP A 142 5.178 14.463 -13.385 1.00 0.00 ATOM 1079 CG TRP A 142 6.325 13.494 -13.254 1.00 0.00 ATOM 1080 CD1 TRP A 142 7.202 13.135 -14.236 1.00 0.00 ATOM 1081 CD2 TRP A 142 6.801 12.862 -12.050 1.00 0.00 ATOM 1082 NE1 TRP A 142 8.201 12.332 -13.723 1.00 0.00 ATOM 1083 CE2 TRP A 142 7.978 12.150 -12.386 1.00 0.00 ATOM 1084 CE3 TRP A 142 6.354 12.839 -10.723 1.00 0.00 ATOM 1085 CZ2 TRP A 142 8.710 11.422 -11.444 1.00 0.00 ATOM 1086 CZ3 TRP A 142 7.082 12.116 -9.784 1.00 0.00 ATOM 1087 CH2 TRP A 142 8.248 11.416 -10.152 1.00 0.00 ATOM 1088 N ARG A 143 2.407 15.215 -11.839 1.00 0.00 ATOM 1089 CA ARG A 143 1.460 16.260 -11.473 1.00 0.00 ATOM 1090 C ARG A 143 2.019 16.926 -10.226 1.00 0.00 ATOM 1091 O ARG A 143 2.871 16.359 -9.549 1.00 0.00 ATOM 1092 CB ARG A 143 0.074 15.668 -11.142 1.00 0.00 ATOM 1093 CG ARG A 143 -0.463 14.584 -12.102 1.00 0.00 ATOM 1094 CD ARG A 143 -1.877 14.118 -11.684 1.00 0.00 ATOM 1095 NE ARG A 143 -2.332 12.898 -12.377 1.00 0.00 ATOM 1096 CZ ARG A 143 -3.182 11.997 -11.860 1.00 0.00 ATOM 1097 NH1 ARG A 143 -3.686 12.166 -10.635 1.00 0.00 ATOM 1098 NH2 ARG A 143 -3.542 10.923 -12.566 1.00 0.00 ATOM 1099 N PHE A 144 1.579 18.145 -9.940 1.00 0.00 ATOM 1100 CA PHE A 144 2.022 18.831 -8.733 1.00 0.00 ATOM 1101 C PHE A 144 0.923 18.777 -7.673 1.00 0.00 ATOM 1102 O PHE A 144 -0.218 19.157 -7.918 1.00 0.00 ATOM 1103 CB PHE A 144 2.374 20.311 -9.009 1.00 0.00 ATOM 1104 CG PHE A 144 3.851 20.572 -9.211 1.00 0.00 ATOM 1105 CD1 PHE A 144 4.348 20.885 -10.466 1.00 0.00 ATOM 1106 CD2 PHE A 144 4.735 20.516 -8.141 1.00 0.00 ATOM 1107 CE1 PHE A 144 5.696 21.137 -10.651 1.00 0.00 ATOM 1108 CE2 PHE A 144 6.087 20.767 -8.317 1.00 0.00 ATOM 1109 CZ PHE A 144 6.569 21.078 -9.575 1.00 0.00 ATOM 1110 N SER A 145 1.278 18.283 -6.498 1.00 0.00 ATOM 1111 CA SER A 145 0.366 18.213 -5.366 1.00 0.00 ATOM 1112 C SER A 145 0.286 19.615 -4.778 1.00 0.00 ATOM 1113 O SER A 145 1.195 20.421 -4.986 1.00 0.00 ATOM 1114 CB SER A 145 0.973 17.294 -4.317 1.00 0.00 ATOM 1115 OG SER A 145 0.492 17.604 -3.029 1.00 0.00 ATOM 1116 N ARG A 146 -0.762 19.921 -4.021 1.00 0.00 ATOM 1117 CA ARG A 146 -0.799 21.248 -3.427 1.00 0.00 ATOM 1118 C ARG A 146 0.220 21.336 -2.292 1.00 0.00 ATOM 1119 O ARG A 146 0.482 22.417 -1.779 1.00 0.00 ATOM 1120 CB ARG A 146 -2.193 21.651 -2.963 1.00 0.00 ATOM 1121 CG ARG A 146 -2.663 21.015 -1.707 1.00 0.00 ATOM 1122 CD ARG A 146 -4.070 20.505 -1.938 1.00 0.00 ATOM 1123 NE ARG A 146 -4.755 20.213 -0.684 1.00 0.00 ATOM 1124 CZ ARG A 146 -5.723 19.315 -0.550 1.00 0.00 ATOM 1125 NH1 ARG A 146 -6.134 18.594 -1.599 1.00 0.00 ATOM 1126 NH2 ARG A 146 -6.286 19.152 0.641 1.00 0.00 ATOM 1127 N SER A 147 0.806 20.202 -1.907 1.00 0.00 ATOM 1128 CA SER A 147 1.845 20.203 -0.873 1.00 0.00 ATOM 1129 C SER A 147 3.164 20.650 -1.551 1.00 0.00 ATOM 1130 O SER A 147 4.181 20.892 -0.889 1.00 0.00 ATOM 1131 CB SER A 147 2.008 18.810 -0.246 1.00 0.00 ATOM 1132 OG SER A 147 2.525 17.870 -1.180 1.00 0.00 ATOM 1133 N GLY A 148 3.128 20.769 -2.877 1.00 0.00 ATOM 1134 CA GLY A 148 4.297 21.190 -3.613 1.00 0.00 ATOM 1135 C GLY A 148 5.119 20.048 -4.153 1.00 0.00 ATOM 1136 O GLY A 148 6.060 20.269 -4.910 1.00 0.00 ATOM 1137 N LEU A 149 4.784 18.824 -3.766 1.00 0.00 ATOM 1138 CA LEU A 149 5.528 17.668 -4.241 1.00 0.00 ATOM 1139 C LEU A 149 4.998 17.202 -5.569 1.00 0.00 ATOM 1140 O LEU A 149 3.799 17.207 -5.810 1.00 0.00 ATOM 1141 CB LEU A 149 5.445 16.526 -3.233 1.00 0.00 ATOM 1142 CG LEU A 149 6.132 16.756 -1.895 1.00 0.00 ATOM 1143 CD1 LEU A 149 5.898 15.562 -1.020 1.00 0.00 ATOM 1144 CD2 LEU A 149 7.616 16.972 -2.084 1.00 0.00 ATOM 1145 N ARG A 150 5.905 16.830 -6.453 1.00 0.00 ATOM 1146 CA ARG A 150 5.514 16.318 -7.759 1.00 0.00 ATOM 1147 C ARG A 150 5.277 14.815 -7.539 1.00 0.00 ATOM 1148 O ARG A 150 5.957 14.198 -6.723 1.00 0.00 ATOM 1149 CB ARG A 150 6.665 16.550 -8.733 1.00 0.00 ATOM 1150 CG ARG A 150 6.272 16.927 -10.136 1.00 0.00 ATOM 1151 CD ARG A 150 7.485 17.466 -10.890 1.00 0.00 ATOM 1152 NE ARG A 150 8.546 16.467 -10.959 1.00 0.00 ATOM 1153 CZ ARG A 150 8.910 15.824 -12.063 1.00 0.00 ATOM 1154 NH1 ARG A 150 8.307 16.073 -13.218 1.00 0.00 ATOM 1155 NH2 ARG A 150 9.851 14.899 -12.000 1.00 0.00 ATOM 1156 N TYR A 151 4.285 14.236 -8.201 1.00 0.00 ATOM 1157 CA TYR A 151 4.018 12.810 -8.047 1.00 0.00 ATOM 1158 C TYR A 151 3.398 12.249 -9.316 1.00 0.00 ATOM 1159 O TYR A 151 2.906 13.002 -10.158 1.00 0.00 ATOM 1160 CB TYR A 151 3.069 12.552 -6.868 1.00 0.00 ATOM 1161 CG TYR A 151 1.659 13.033 -7.111 1.00 0.00 ATOM 1162 CD1 TYR A 151 0.682 12.173 -7.608 1.00 0.00 ATOM 1163 CD2 TYR A 151 1.309 14.368 -6.890 1.00 0.00 ATOM 1164 CE1 TYR A 151 -0.609 12.633 -7.887 1.00 0.00 ATOM 1165 CE2 TYR A 151 0.019 14.837 -7.165 1.00 0.00 ATOM 1166 CZ TYR A 151 -0.931 13.965 -7.665 1.00 0.00 ATOM 1167 OH TYR A 151 -2.195 14.430 -7.961 1.00 0.00 ATOM 1168 N ARG A 152 3.474 10.931 -9.471 1.00 0.00 ATOM 1169 CA ARG A 152 2.865 10.259 -10.606 1.00 0.00 ATOM 1170 C ARG A 152 2.418 8.866 -10.230 1.00 0.00 ATOM 1171 O ARG A 152 2.920 8.270 -9.286 1.00 0.00 ATOM 1172 CB ARG A 152 3.769 10.228 -11.833 1.00 0.00 ATOM 1173 CG ARG A 152 5.071 9.525 -11.670 1.00 0.00 ATOM 1174 CD ARG A 152 5.712 9.376 -13.022 1.00 0.00 ATOM 1175 NE ARG A 152 7.075 8.903 -12.881 1.00 0.00 ATOM 1176 CZ ARG A 152 7.970 8.871 -13.863 1.00 0.00 ATOM 1177 NH1 ARG A 152 7.640 9.280 -15.077 1.00 0.00 ATOM 1178 NH2 ARG A 152 9.217 8.491 -13.606 1.00 0.00 ATOM 1179 N LEU A 153 1.430 8.376 -10.964 1.00 0.00 ATOM 1180 CA LEU A 153 0.860 7.069 -10.718 1.00 0.00 ATOM 1181 C LEU A 153 1.334 6.056 -11.743 1.00 0.00 ATOM 1182 O LEU A 153 1.555 6.387 -12.906 1.00 0.00 ATOM 1183 CB LEU A 153 -0.668 7.153 -10.739 1.00 0.00 ATOM 1184 CG LEU A 153 -1.325 8.282 -9.924 1.00 0.00 ATOM 1185 CD1 LEU A 153 -2.852 8.179 -10.009 1.00 0.00 ATOM 1186 CD2 LEU A 153 -0.877 8.258 -8.477 1.00 0.00 ATOM 1187 N TYR A 154 1.539 4.829 -11.278 1.00 0.00 ATOM 1188 CA TYR A 154 1.967 3.710 -12.111 1.00 0.00 ATOM 1189 C TYR A 154 0.965 2.580 -11.938 1.00 0.00 ATOM 1190 O TYR A 154 0.433 2.366 -10.851 1.00 0.00 ATOM 1191 CB TYR A 154 3.305 3.163 -11.635 1.00 0.00 ATOM 1192 CG TYR A 154 4.537 3.955 -11.965 1.00 0.00 ATOM 1193 CD1 TYR A 154 4.975 4.978 -11.128 1.00 0.00 ATOM 1194 CD2 TYR A 154 5.339 3.596 -13.054 1.00 0.00 ATOM 1195 CE1 TYR A 154 6.191 5.617 -11.359 1.00 0.00 ATOM 1196 CE2 TYR A 154 6.545 4.224 -13.295 1.00 0.00 ATOM 1197 CZ TYR A 154 6.975 5.229 -12.446 1.00 0.00 ATOM 1198 OH TYR A 154 8.204 5.818 -12.655 1.00 0.00 ATOM 1199 N SER A 155 0.734 1.829 -13.003 1.00 0.00 ATOM 1200 CA SER A 155 -0.163 0.691 -12.954 1.00 0.00 ATOM 1201 C SER A 155 0.575 -0.478 -13.564 1.00 0.00 ATOM 1202 O SER A 155 1.016 -0.416 -14.711 1.00 0.00 ATOM 1203 CB SER A 155 -1.441 0.973 -13.724 1.00 0.00 ATOM 1204 OG SER A 155 -2.278 1.811 -12.958 1.00 0.00 ATOM 1205 N TYR A 156 0.773 -1.512 -12.756 1.00 0.00 ATOM 1206 CA TYR A 156 1.478 -2.701 -13.189 1.00 0.00 ATOM 1207 C TYR A 156 0.574 -3.894 -13.118 1.00 0.00 ATOM 1208 O TYR A 156 -0.313 -3.974 -12.265 1.00 0.00 ATOM 1209 CB TYR A 156 2.655 -2.988 -12.279 1.00 0.00 ATOM 1210 CG TYR A 156 3.749 -1.970 -12.293 1.00 0.00 ATOM 1211 CD1 TYR A 156 3.755 -0.923 -11.372 1.00 0.00 ATOM 1212 CD2 TYR A 156 4.827 -2.096 -13.166 1.00 0.00 ATOM 1213 CE1 TYR A 156 4.798 -0.038 -11.312 1.00 0.00 ATOM 1214 CE2 TYR A 156 5.883 -1.214 -13.114 1.00 0.00 ATOM 1215 CZ TYR A 156 5.863 -0.187 -12.182 1.00 0.00 ATOM 1216 OH TYR A 156 6.925 0.679 -12.091 1.00 0.00 ATOM 1217 N HIS A 157 0.865 -4.856 -13.984 1.00 0.00 ATOM 1218 CA HIS A 157 0.126 -6.102 -14.050 1.00 0.00 ATOM 1219 C HIS A 157 1.036 -7.207 -14.588 1.00 0.00 ATOM 1220 O HIS A 157 2.131 -6.954 -15.106 1.00 0.00 ATOM 1221 CB HIS A 157 -1.112 -5.951 -14.939 1.00 0.00 ATOM 1222 CG HIS A 157 -0.796 -5.532 -16.341 1.00 0.00 ATOM 1223 ND1 HIS A 157 -0.382 -4.254 -16.662 1.00 0.00 ATOM 1224 CD2 HIS A 157 -0.803 -6.229 -17.505 1.00 0.00 ATOM 1225 CE1 HIS A 157 -0.146 -4.184 -17.961 1.00 0.00 ATOM 1226 NE2 HIS A 157 -0.394 -5.368 -18.497 1.00 0.00 ATOM 1227 N ARG A 158 0.601 -8.438 -14.359 1.00 0.00 ATOM 1228 CA ARG A 158 1.283 -9.631 -14.822 1.00 0.00 ATOM 1229 C ARG A 158 0.252 -10.735 -14.697 1.00 0.00 ATOM 1230 O ARG A 158 -0.747 -10.579 -13.993 1.00 0.00 ATOM 1231 CB ARG A 158 2.541 -9.924 -14.001 1.00 0.00 ATOM 1232 CG ARG A 158 2.325 -10.464 -12.617 1.00 0.00 ATOM 1233 CD ARG A 158 3.664 -10.801 -11.994 1.00 0.00 ATOM 1234 NE ARG A 158 3.505 -11.145 -10.584 1.00 0.00 ATOM 1235 CZ ARG A 158 4.498 -11.450 -9.760 1.00 0.00 ATOM 1236 NH1 ARG A 158 5.749 -11.479 -10.194 1.00 0.00 ATOM 1237 NH2 ARG A 158 4.245 -11.665 -8.480 1.00 0.00 ATOM 1238 N SER A 159 0.433 -11.814 -15.442 1.00 0.00 ATOM 1239 CA SER A 159 -0.533 -12.901 -15.384 1.00 0.00 ATOM 1240 C SER A 159 -0.099 -14.117 -14.575 1.00 0.00 ATOM 1241 O SER A 159 -0.928 -15.051 -14.493 1.00 0.00 ATOM 1242 CB SER A 159 -0.960 -13.298 -16.792 1.00 0.00 ATOM 1243 OG SER A 159 -1.558 -12.189 -17.443 1.00 0.00 ATOM 1244 OXT SER A 159 1.011 -14.089 -13.973 1.00 0.00 TER 1245 SER A 159 laila/./ligand-laila-opt.options.pickle0000664000076600007660000000537112307605607017664 0ustar galaxygalaxy(ioptik.option_parser Values p0 (dp1 S'chain' p2 I00 sS'pdb_assign' p3 NsS'mopac' p4 I00 sS'opt_nprocs' p5 I1 sS'xml' p6 I00 sS'user_opt' p7 I00 sS'restart' p8 I00 sS'enumerate_nprocs' p9 I1 sS'opt' p10 I01 sS'data_sheet' p11 I00 sS'random_seed' p12 S'3628800' p13 sS'regularise' p14 I00 sS'connectivity_only' p15 I00 sS'qm_package' p16 I00 sS'all_residues' p17 I00 sS'nwchem' p18 I00 sS'jaguar' p19 I00 sS'cctbx' p20 I01 sS'ignore_chiral' p21 I00 sS'quick' p22 I00 sS'output' p23 S'ligand-laila-opt' p24 sS'user_opt_program' p25 I00 sS'automatic' p26 I00 sS'view' p27 I00 sS'add_hydrogen_boolean' p28 NsS'gaussian' p29 I00 sS'initial_geometry' p30 I00 sS'keto_enol' p31 S'retain' p32 sS'user_opt_xyz2input' p33 I00 sS'single_point' p34 I00 sS'overwrite' p35 I00 sS'residue' p36 I00 sS'do_all' p37 I00 sS'multiple_planes' p38 I00 sS'template' p39 I00 sS'opt_steps' p40 I-1 sS'qm_check' p41 I00 sS'qchem_level' p42 I00 sS'qchem' p43 I00 sS'key' p44 I00 sS'boron_hybridisation' p45 NsS'final_geometry' p46 I00 sS'chiral' p47 g32 sS'amino_acid' p48 NsS'quiet' p49 I00 sS'quicca' p50 I00 sS'write_neutron_distances' p51 I00 sS'xyz' p52 I00 sS'user_opt_output2xyz' p53 I00 sS'newton_raphson' p54 I00 sS'energy_validation' p55 I00 sS'long_help' p56 I00 sS'pH' p57 S'neutral' p58 sS'qm_memory' p59 I1000 sS'silent' p60 I00 sS'user_opt_output_filename' p61 I00 sS'db_cmd' p62 I00 sS'sequence' p63 I00 sS'carry_on_after_bad_pdb' p64 I00 sS'qm_jobs' p65 I00 sS'user_opt_xyz_filename' p66 I00 sS'msd' p67 I00 sS'ligand_name' p68 S'' p69 sS'deuteriums' p70 I00 sS'metal_bond_cutoff' p71 NsS'sdf' p72 I00 sS'overlay_geometry' p73 I00 sS'tripos' p74 I00 sS'reel' p75 I00 sS'png' p76 I00 sS'show_defaults' p77 I00 sS'auto_bond_cutoff' p78 NsS'gamess' p79 I00 sS'subset_library' p80 I00 sS'write_redundant_dihedrals_boolean' p81 I00 sS'pickle' p82 I00 sS'pucker_define' p83 I00 sS'metal' p84 NsS'access_all_smiles' p85 I00 sS'opt_tol' p86 I00 sS'mogul' p87 I00 sS'file' p88 S'ligand-laila-normal.pdb' p89 sS'pass_through_library_restraints' p90 I00 sS'position_output' p91 I00 sS'id' p92 S'TOP' p93 sS'read_only' p94 I00 sS'chemical_component' p95 I00 sS'qm_basis' p96 S'RM1' p97 sS'dry_run' p98 I00 sS'user_opt_script_filename' p99 I00 sS'cis_trans' p100 g32 sS'ideal' p101 I00 sS'qm_solvent_model' p102 g69 sS'siesta' p103 I00 sS'maestro' p104 I00 sS'skip_cif_molecule' p105 I00 sS'qm_aux_basis' p106 g69 sS'smiles' p107 I00 sS'gdiis' p108 I01 sS'pass_through_input_restraints' p109 I00 sS'keys' p110 I00 sS'data_header_file' p111 NsS'pdb_ligand' p112 I01 sS'bonding' p113 I00 sS'db_key' p114 I00 sS'validate' p115 I00 sS'qm_method' p116 g97 sS'ampac' p117 I00 sS'pucker' p118 S'chair' p119 sS'pymol' p120 I00 sS'pipe' p121 I00 sS'user_opt_input_filename' p122 I00 sS'clean' p123 I00 sS'write_hydrogen_boolean' p124 I01 sb.laila/./ligand-laila-opt.cif0000664000076600007660000003025212307605610015452 0ustar galaxygalaxy# electronic Ligand Builder and Optimisation Workbench (eLBOW) # - a module of PHENIX version 1.8.4-1496 (Mon Oct 4 12:30:00 2013) # - file written: Tue Mar 11 18:41:36 2014 # # Input file: ligand-laila-normal.pdb # Quantum optimisation: True # Method: AM1 # Random seed: 3628800 # data_comp_list loop_ _chem_comp.id _chem_comp.three_letter_code _chem_comp.name _chem_comp.group _chem_comp.number_atoms_all _chem_comp.number_atoms_nh _chem_comp.desc_level TOP TOP 'Unknown ' ligand 39 21 . # data_comp_TOP # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.type_energy _chem_comp_atom.partial_charge _chem_comp_atom.x _chem_comp_atom.y _chem_comp_atom.z TOP C1 C CR16 0.172 -0.3425 -0.7687 -2.1304 TOP N2 N N -0.417 -0.8471 -1.8138 -2.8167 TOP C3 C CR6 0.391 -0.0105 -2.3928 -3.7622 TOP N4 N NH2 -0.405 -0.4548 -3.5035 -4.4589 TOP N5 N N -0.469 1.2627 -1.8833 -4.0522 TOP C6 C CR6 0.381 1.7313 -0.8268 -3.2578 TOP N7 N NH2 -0.410 3.0044 -0.4261 -3.5874 TOP C8 C CR6 -0.373 0.9451 -0.2310 -2.2008 TOP C9 C CH2 0.036 1.3681 0.8907 -1.2392 TOP C10 C CR6 -0.024 0.6843 0.9768 0.1670 TOP C11 C CR16 -0.136 1.1804 0.2897 1.2948 TOP C12 C CR6 0.089 0.5021 0.2407 2.5359 TOP O13 O O2 -0.243 1.0739 -0.4316 3.6100 TOP C14 C CH3 0.011 0.9294 -1.8459 3.7137 TOP C15 C CR6 0.048 -0.6414 1.0731 2.7331 TOP O16 O O2 -0.222 -1.1860 1.2414 3.9854 TOP C17 C CH3 0.012 -2.2387 0.3698 4.3772 TOP C18 C CR6 0.086 -1.0861 1.8817 1.6443 TOP O19 O O2 -0.233 -2.0974 2.8105 1.8351 TOP C20 C CH3 0.005 -3.3546 2.5472 1.2230 TOP C21 C CR16 -0.145 -0.4306 1.8030 0.3931 TOP H11 H HCR6 0.120 -1.0862 -0.3049 -1.4644 TOP H41 H HNH2 0.238 -0.0012 -3.9275 -5.2337 TOP H42 H HNH2 0.237 -1.3098 -3.9978 -4.1966 TOP H71 H HNH2 0.241 3.6030 -0.8327 -4.2825 TOP H72 H HNH2 0.220 3.4554 0.3526 -3.1246 TOP H91 H HCH2 0.045 2.4721 0.8668 -1.1107 TOP H92 H HCH2 0.053 1.2963 1.8852 -1.7566 TOP H111 H HCR6 0.117 2.1828 -0.1601 1.2370 TOP H141 H HCH3 0.044 1.2101 -2.4053 2.8123 TOP H142 H HCH3 0.039 -0.0776 -2.1623 4.0238 TOP H143 H HCH3 0.073 1.5742 -2.2805 4.5180 TOP H171 H HCH3 0.043 -2.6099 -0.2824 3.5825 TOP H172 H HCH3 0.049 -1.9555 -0.2772 5.2295 TOP H173 H HCH3 0.057 -3.1107 0.9284 4.7746 TOP H201 H HCH3 0.075 -4.1364 3.2649 1.5646 TOP H202 H HCH3 0.040 -3.7589 1.5583 1.4721 TOP H203 H HCH3 0.041 -3.3654 2.6488 0.1257 TOP H211 H HCR6 0.114 -0.8483 2.3673 -0.4541 # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type _chem_comp_bond.value_dist _chem_comp_bond.value_dist_esd TOP C1 N2 aromatic 1.348 0.030 TOP C1 C8 aromatic 1.397 0.028 TOP N2 C3 aromatic 1.389 0.031 TOP C3 N4 single 1.384 0.031 TOP C3 N5 aromatic 1.402 0.029 TOP N5 C6 aromatic 1.402 0.030 TOP C6 N7 single 1.375 0.031 TOP C6 C8 aromatic 1.446 0.029 TOP C8 C9 single 1.537 0.034 TOP C9 C10 single 1.566 0.037 TOP C10 C11 aromatic 1.411 0.028 TOP C10 C21 aromatic 1.406 0.028 TOP C11 C12 aromatic 1.415 0.028 TOP C12 O13 single 1.390 0.034 TOP C12 C15 aromatic 1.428 0.028 TOP O13 C14 single 1.425 0.035 TOP C15 O16 single 1.376 0.033 TOP C15 C18 aromatic 1.427 0.028 TOP O16 C17 single 1.422 0.035 TOP C18 O19 single 1.386 0.034 TOP C18 C21 aromatic 1.415 0.028 TOP O19 C20 single 1.423 0.035 TOP H11 C1 single 1.101 0.036 TOP H41 N4 single 0.993 0.037 TOP H42 N4 single 1.022 0.032 TOP H71 N7 single 1.003 0.037 TOP H72 N7 single 1.012 0.032 TOP H91 C9 single 1.112 0.040 TOP H92 C9 single 1.123 0.040 TOP H111 C11 single 1.100 0.037 TOP H141 C14 single 1.097 0.037 TOP H142 C14 single 1.100 0.038 TOP H143 C14 single 1.119 0.039 TOP H171 C17 single 1.093 0.037 TOP H172 C17 single 1.107 0.038 TOP H173 C17 single 1.109 0.039 TOP H201 C20 single 1.115 0.039 TOP H202 C20 single 1.097 0.037 TOP H203 C20 single 1.102 0.037 TOP H211 C21 single 1.100 0.037 # loop_ _chem_comp_angle.comp_id _chem_comp_angle.atom_id_1 _chem_comp_angle.atom_id_2 _chem_comp_angle.atom_id_3 _chem_comp_angle.value_angle _chem_comp_angle.value_angle_esd TOP H11 C1 C8 119.41 2.723 TOP H11 C1 N2 112.44 2.711 TOP C8 C1 N2 128.14 2.351 TOP C3 N2 C1 116.37 2.326 TOP N5 C3 N4 118.62 2.424 TOP N5 C3 N2 122.44 2.293 TOP N4 C3 N2 118.93 2.368 TOP H42 N4 H41 112.10 2.974 TOP H42 N4 C3 121.83 2.731 TOP H41 N4 C3 126.06 2.729 TOP C6 N5 C3 117.40 2.323 TOP C8 C6 N7 123.96 2.489 TOP C8 C6 N5 122.88 2.252 TOP N7 C6 N5 113.16 2.348 TOP H72 N7 H71 111.27 2.925 TOP H72 N7 C6 121.83 2.720 TOP H71 N7 C6 126.89 2.734 TOP C9 C8 C6 127.49 2.358 TOP C9 C8 C1 120.20 2.340 TOP C6 C8 C1 112.29 2.268 TOP H92 C9 H91 97.80 3.000 TOP H92 C9 C10 109.69 2.336 TOP H91 C9 C10 109.33 2.294 TOP H92 C9 C8 109.90 2.255 TOP H91 C9 C8 109.27 2.587 TOP C10 C9 C8 118.80 2.253 TOP C21 C10 C11 115.88 2.489 TOP C21 C10 C9 121.53 2.475 TOP C11 C10 C9 122.52 2.353 TOP H111 C11 C12 117.95 2.342 TOP H111 C11 C10 118.52 2.316 TOP C12 C11 C10 123.33 2.254 TOP C15 C12 O13 120.30 2.653 TOP C15 C12 C11 118.99 2.637 TOP O13 C12 C11 119.81 2.248 TOP C14 O13 C12 119.62 2.555 TOP H143 C14 H142 102.31 2.970 TOP H143 C14 H141 104.19 2.960 TOP H142 C14 H141 108.61 2.946 TOP H143 C14 O13 112.29 2.363 TOP H142 C14 O13 113.49 2.251 TOP H141 C14 O13 114.84 2.245 TOP C18 C15 O16 120.11 2.718 TOP C18 C15 C12 118.32 2.568 TOP O16 C15 C12 120.93 2.635 TOP C17 O16 C15 117.96 2.687 TOP H173 C17 H172 102.68 2.970 TOP H173 C17 H171 107.10 2.950 TOP H172 C17 H171 107.34 2.949 TOP H173 C17 O16 111.84 2.568 TOP H172 C17 O16 112.40 2.358 TOP H171 C17 O16 114.64 2.353 TOP C21 C18 O19 119.80 2.743 TOP C21 C18 C15 119.92 2.594 TOP O19 C18 C15 120.13 2.692 TOP C20 O19 C18 117.48 2.726 TOP H203 C20 H202 107.80 2.942 TOP H203 C20 H201 103.82 2.964 TOP H202 C20 H201 104.61 2.961 TOP H203 C20 O19 114.83 2.585 TOP H202 C20 O19 113.25 2.586 TOP H201 C20 O19 111.63 2.714 TOP H211 C21 C18 118.46 2.711 TOP H211 C21 C10 118.59 2.277 TOP C18 C21 C10 122.84 2.365 # loop_ _chem_comp_tor.comp_id _chem_comp_tor.id _chem_comp_tor.atom_id_1 _chem_comp_tor.atom_id_2 _chem_comp_tor.atom_id_3 _chem_comp_tor.atom_id_4 _chem_comp_tor.value_angle _chem_comp_tor.value_angle_esd _chem_comp_tor.period TOP CONST_01 N5 C3 N2 C1 -3.51 0.0 0 TOP CONST_02 N5 C6 C8 C1 -3.86 0.0 0 TOP CONST_03 C6 C8 C1 N2 6.96 0.0 0 TOP CONST_04 C6 N5 C3 N2 5.98 0.0 0 TOP CONST_05 C8 C1 N2 C3 -3.53 0.0 0 TOP CONST_06 C8 C6 N5 C3 -1.98 0.0 0 TOP CONST_07 C15 C12 C11 C10 -9.23 0.0 0 TOP CONST_08 C15 C18 C21 C10 -1.73 0.0 0 TOP CONST_09 C18 C21 C10 C11 -4.30 0.0 0 TOP CONST_10 C18 C15 C12 C11 2.59 0.0 0 TOP CONST_11 C21 C10 C11 C12 9.89 0.0 0 TOP CONST_12 C21 C18 C15 C12 2.61 0.0 0 TOP CONST_13 N4 C3 N2 C1 177.39 0.0 0 TOP CONST_14 N7 C6 C8 C1 176.27 0.0 0 TOP CONST_15 C9 C8 C1 N2 -174.48 0.0 0 TOP CONST_16 N7 C6 N5 C3 177.90 0.0 0 TOP CONST_17 C6 N5 C3 N4 -174.93 0.0 0 TOP CONST_18 C9 C8 C6 N5 177.70 0.0 0 TOP CONST_19 C12 C11 C10 C9 -173.13 0.0 0 TOP CONST_20 C18 C21 C10 C9 178.70 0.0 0 TOP CONST_21 O13 C12 C11 C10 -178.45 0.0 0 TOP CONST_22 O19 C18 C21 C10 173.79 0.0 0 TOP CONST_23 O16 C15 C12 C11 -168.22 0.0 0 TOP CONST_24 O19 C18 C15 C12 -172.90 0.0 0 TOP CONST_25 C18 C15 C12 O13 171.75 0.0 0 TOP CONST_26 C21 C18 C15 O16 173.50 0.0 0 TOP CONST_27 H11 C1 N2 C3 174.96 0.0 0 TOP CONST_28 H211 C21 C10 C11 179.43 0.0 0 TOP CONST_29 H111 C11 C12 C15 165.46 0.0 0 TOP CONST_30 H41 N4 C3 N2 171.46 0.0 0 TOP CONST_31 H42 N4 C3 N2 -10.01 0.0 0 TOP CONST_32 H71 N7 C6 N5 -2.76 0.0 0 TOP CONST_33 H72 N7 C6 N5 177.31 0.0 0 TOP Var_01 C15 C12 C11 C10 -9.23 30.0 1 TOP Var_02 C15 C18 C21 C10 -1.73 30.0 1 TOP Var_03 C18 C21 C10 C11 -4.30 30.0 1 TOP Var_04 C18 C15 C12 C11 2.59 30.0 1 TOP Var_05 C21 C10 C11 C12 9.89 30.0 1 TOP Var_06 C21 C18 C15 C12 2.61 30.0 1 TOP Var_07 C10 C9 C8 C1 27.97 30.0 2 TOP Var_08 C11 C10 C9 C8 88.64 30.0 2 TOP Var_09 H141 C14 O13 C12 51.55 30.0 3 TOP Var_10 H171 C17 O16 C15 -7.60 30.0 3 TOP Var_11 H201 C20 O19 C18 171.16 30.0 3 # loop_ _chem_comp_plane_atom.comp_id _chem_comp_plane_atom.plane_id _chem_comp_plane_atom.atom_id _chem_comp_plane_atom.dist_esd TOP plan-1 C1 0.020 TOP plan-1 N2 0.020 TOP plan-1 C3 0.020 TOP plan-1 N4 0.020 TOP plan-1 N5 0.020 TOP plan-1 C6 0.020 TOP plan-1 N7 0.020 TOP plan-1 C8 0.020 TOP plan-1 C9 0.020 TOP plan-1 H11 0.020 TOP plan-2 C3 0.020 TOP plan-2 N4 0.020 TOP plan-2 H41 0.020 TOP plan-2 H42 0.020 TOP plan-3 C6 0.020 TOP plan-3 N7 0.020 TOP plan-3 H71 0.020 TOP plan-3 H72 0.020 laila/./ligand-laila-opt.elbow_opt.xyz0000664000076600007660000003540712307605607017551 0ustar galaxygalaxy39 -100.376265 C 0.000000 0.000000 0.000000 N 1.422547 0.000000 0.000000 C 2.148457 0.000000 1.199143 N 3.658573 -0.013244 1.136291 N 1.533232 0.000074 2.447970 C 0.122176 0.000079 2.529297 N -0.556112 0.068198 3.898678 C -0.718041 0.000073 1.282908 C -2.364917 -0.072781 1.350645 C -2.917211 -0.777072 0.028920 C -3.047024 -2.250952 -0.021683 C -3.571542 -2.896062 -1.211416 O -3.793874 -4.388670 -1.220113 C -2.530893 -5.191221 -1.393831 C -3.977981 -2.077553 -2.377523 O -4.682155 -2.711443 -3.509011 C -3.767456 -3.190267 -4.617357 C -3.846571 -0.601602 -2.323275 O -4.390474 0.218254 -3.398313 C -3.357993 0.880881 -4.224190 C -3.317213 0.037436 -1.120376 H -0.508025 -0.000030 -0.866230 H 4.181594 0.154988 1.947350 H 4.090462 -0.136810 0.320027 H -0.002167 0.036605 4.734019 H -1.507139 0.098847 3.958517 H -2.640472 -0.597726 2.143090 H -2.754027 0.893054 1.422759 H -2.740327 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-1.403633 C -3.916518 -2.105562 -2.401186 O -4.561779 -2.685581 -3.469074 C -3.771399 -3.130098 -4.564090 C -3.824581 -0.684417 -2.306096 O -4.348280 0.115445 -3.309869 C -3.428074 0.823478 -4.132395 C -3.283755 -0.088561 -1.142504 H -0.426178 0.133413 -0.813573 H 4.125508 0.139255 1.977470 H 4.016009 -0.169024 0.338586 H 0.090070 0.125266 4.658369 H -1.421403 0.102963 3.963734 H -2.617297 -0.640666 2.146084 H -2.707602 0.858474 1.383592 H -2.997629 -2.819781 0.820754 H -1.797096 -4.974148 -0.724021 H -2.252916 -5.217260 -2.432255 H -2.930280 -6.218879 -1.197502 H -2.716884 -2.848069 -4.509052 H -3.812735 -4.228389 -4.695676 H -4.159499 -2.753986 -5.532731 H -3.937968 1.305734 -4.998658 H -2.665579 0.177383 -4.584702 H -2.909548 1.658547 -3.634001 H -3.139654 1.002190 -1.130513 laila/./ligand-laila-opt.ccd0000664000076600007660000000316612307605610015446 0ustar galaxygalaxyREMARK electronic Ligand Builder and Optimisation Workbench (eLBOW) REMARK - a module of PHENIX version 1.8.4-1496 (Mon Oct 4 12:30:00 2013) REMARK - file written: Tue Mar 11 18:41:36 2014 REMARK REMARK Input file: ligand-laila-normal.pdb REMARK Quantum optimisation: True REMARK Method: AM1 REMARK Random seed: 3628800 RESIDUE TOP 39 CONECT C1 3 N2 C8 H11 CONECT N2 2 C1 C3 CONECT C3 3 N2 N4 N5 CONECT N4 3 C3 H41 H42 CONECT N5 2 C3 C6 CONECT C6 3 N5 N7 C8 CONECT N7 3 C6 H71 H72 CONECT C8 3 C1 C6 C9 CONECT C9 4 C8 C10 H91 H92 CONECT C10 3 C9 C11 C21 CONECT C11 3 C10 C12 H111 CONECT C12 3 C11 O13 C15 CONECT O13 2 C12 C14 CONECT C14 4 O13 H141 H142 H143 CONECT C15 3 C12 O16 C18 CONECT O16 2 C15 C17 CONECT C17 4 O16 H171 H172 H173 CONECT C18 3 C15 O19 C21 CONECT O19 2 C18 C20 CONECT C20 4 O19 H201 H202 H203 CONECT C21 3 C10 C18 H211 CONECT H11 1 C1 CONECT H41 1 N4 CONECT H42 1 N4 CONECT H71 1 N7 CONECT H72 1 N7 CONECT H91 1 C9 CONECT H92 1 C9 CONECT H111 1 C11 CONECT H141 1 C14 CONECT H142 1 C14 CONECT H143 1 C14 CONECT H171 1 C17 CONECT H172 1 C17 CONECT H173 1 C17 CONECT H201 1 C20 CONECT H202 1 C20 CONECT H203 1 C20 CONECT H211 1 C21 END HET TOP 39 HETNAM TOP FORMUL TOP H18 C14 O3 N4 laila/./complex-laila-1.pdb0000664000076600007660000024746612307606044015250 0ustar galaxygalaxyATOM 1 N MET A 1 -7.666 -12.503 -7.596 1.00 0.00 ATOM 2 CA MET A 1 -6.845 -11.294 -7.883 1.00 0.00 ATOM 3 C MET A 1 -6.358 -10.631 -6.595 1.00 0.00 ATOM 4 O MET A 1 -7.159 -10.238 -5.736 1.00 0.00 ATOM 5 CB MET A 1 -7.666 -10.277 -8.686 1.00 0.00 ATOM 6 CG MET A 1 -6.868 -9.138 -9.382 1.00 0.00 ATOM 7 SD MET A 1 -6.016 -7.851 -8.372 1.00 0.00 ATOM 8 CE MET A 1 -7.337 -7.058 -7.519 1.00 0.00 ATOM 9 N VAL A 2 -5.039 -10.569 -6.443 1.00 0.00 ATOM 10 CA VAL A 2 -4.432 -9.905 -5.306 1.00 0.00 ATOM 11 C VAL A 2 -3.626 -8.757 -5.882 1.00 0.00 ATOM 12 O VAL A 2 -2.848 -8.935 -6.820 1.00 0.00 ATOM 13 CB VAL A 2 -3.518 -10.833 -4.505 1.00 0.00 ATOM 14 CG1 VAL A 2 -2.790 -10.057 -3.441 1.00 0.00 ATOM 15 CG2 VAL A 2 -4.333 -11.907 -3.852 1.00 0.00 ATOM 16 N GLY A 3 -3.883 -7.561 -5.370 1.00 0.00 ATOM 17 CA GLY A 3 -3.157 -6.395 -5.826 1.00 0.00 ATOM 18 C GLY A 3 -2.468 -5.721 -4.668 1.00 0.00 ATOM 19 O GLY A 3 -2.866 -5.888 -3.520 1.00 0.00 ATOM 20 N LEU A 4 -1.386 -5.019 -4.962 1.00 0.00 ATOM 21 CA LEU A 4 -0.663 -4.285 -3.945 1.00 0.00 ATOM 22 C LEU A 4 -0.829 -2.807 -4.262 1.00 0.00 ATOM 23 O LEU A 4 -0.918 -2.440 -5.420 1.00 0.00 ATOM 24 CB LEU A 4 0.828 -4.629 -3.989 1.00 0.00 ATOM 25 CG LEU A 4 1.392 -5.804 -3.185 1.00 0.00 ATOM 26 CD1 LEU A 4 0.551 -7.043 -3.328 1.00 0.00 ATOM 27 CD2 LEU A 4 2.836 -6.059 -3.615 1.00 0.00 ATOM 28 N ILE A 5 -0.940 -1.967 -3.239 1.00 0.00 ATOM 29 CA ILE A 5 -1.043 -0.531 -3.464 1.00 0.00 ATOM 30 C ILE A 5 -0.207 0.196 -2.419 1.00 0.00 ATOM 31 O ILE A 5 -0.243 -0.143 -1.235 1.00 0.00 ATOM 32 CB ILE A 5 -2.525 -0.020 -3.488 1.00 0.00 ATOM 33 CG1 ILE A 5 -2.556 1.504 -3.678 1.00 0.00 ATOM 34 CG2 ILE A 5 -3.269 -0.410 -2.227 1.00 0.00 ATOM 35 CD1 ILE A 5 -3.933 2.054 -4.027 1.00 0.00 ATOM 36 N TRP A 6 0.628 1.123 -2.878 1.00 0.00 ATOM 37 CA TRP A 6 1.479 1.898 -1.989 1.00 0.00 ATOM 38 C TRP A 6 1.942 3.188 -2.655 1.00 0.00 ATOM 39 O TRP A 6 1.821 3.357 -3.868 1.00 0.00 ATOM 40 CB TRP A 6 2.719 1.088 -1.567 1.00 0.00 ATOM 41 CG TRP A 6 3.782 0.892 -2.652 1.00 0.00 ATOM 42 CD1 TRP A 6 4.800 1.754 -2.976 1.00 0.00 ATOM 43 CD2 TRP A 6 3.934 -0.246 -3.514 1.00 0.00 ATOM 44 NE1 TRP A 6 5.574 1.221 -3.979 1.00 0.00 ATOM 45 CE2 TRP A 6 5.065 -0.003 -4.329 1.00 0.00 ATOM 46 CE3 TRP A 6 3.229 -1.450 -3.669 1.00 0.00 ATOM 47 CZ2 TRP A 6 5.507 -0.919 -5.289 1.00 0.00 ATOM 48 CZ3 TRP A 6 3.669 -2.359 -4.621 1.00 0.00 ATOM 49 CH2 TRP A 6 4.799 -2.085 -5.419 1.00 0.00 ATOM 50 N ALA A 7 2.491 4.078 -1.838 1.00 0.00 ATOM 51 CA ALA A 7 3.047 5.354 -2.271 1.00 0.00 ATOM 52 C ALA A 7 4.509 5.327 -1.791 1.00 0.00 ATOM 53 O ALA A 7 4.778 5.052 -0.622 1.00 0.00 ATOM 54 CB ALA A 7 2.288 6.522 -1.613 1.00 0.00 ATOM 55 N GLN A 8 5.450 5.583 -2.693 1.00 0.00 ATOM 56 CA GLN A 8 6.860 5.559 -2.331 1.00 0.00 ATOM 57 C GLN A 8 7.632 6.758 -2.847 1.00 0.00 ATOM 58 O GLN A 8 7.283 7.331 -3.880 1.00 0.00 ATOM 59 CB GLN A 8 7.539 4.324 -2.923 1.00 0.00 ATOM 60 CG GLN A 8 7.620 4.364 -4.434 1.00 0.00 ATOM 61 CD GLN A 8 8.529 3.308 -5.000 1.00 0.00 ATOM 62 OE1 GLN A 8 8.129 2.168 -5.184 1.00 0.00 ATOM 63 NE2 GLN A 8 9.765 3.686 -5.296 1.00 0.00 ATOM 64 N ALA A 9 8.690 7.104 -2.113 1.00 0.00 ATOM 65 CA ALA A 9 9.607 8.159 -2.516 1.00 0.00 ATOM 66 C ALA A 9 10.380 7.485 -3.638 1.00 0.00 ATOM 67 O ALA A 9 10.480 6.260 -3.675 1.00 0.00 ATOM 68 CB ALA A 9 10.570 8.523 -1.364 1.00 0.00 ATOM 69 N THR A 10 10.903 8.265 -4.567 1.00 0.00 ATOM 70 CA THR A 10 11.675 7.712 -5.673 1.00 0.00 ATOM 71 C THR A 10 12.703 6.688 -5.168 1.00 0.00 ATOM 72 O THR A 10 12.987 5.686 -5.827 1.00 0.00 ATOM 73 CB THR A 10 12.396 8.862 -6.391 1.00 0.00 ATOM 74 OG1 THR A 10 11.411 9.718 -6.985 1.00 0.00 ATOM 75 CG2 THR A 10 13.361 8.343 -7.452 1.00 0.00 ATOM 76 N SER A 11 13.194 6.925 -3.959 1.00 0.00 ATOM 77 CA SER A 11 14.191 6.086 -3.312 1.00 0.00 ATOM 78 C SER A 11 13.677 4.725 -2.888 1.00 0.00 ATOM 79 O SER A 11 14.466 3.825 -2.601 1.00 0.00 ATOM 80 CB SER A 11 14.721 6.799 -2.079 1.00 0.00 ATOM 81 OG SER A 11 13.709 6.913 -1.093 1.00 0.00 ATOM 82 N GLY A 12 12.356 4.597 -2.784 1.00 0.00 ATOM 83 CA GLY A 12 11.761 3.333 -2.379 1.00 0.00 ATOM 84 C GLY A 12 11.257 3.333 -0.950 1.00 0.00 ATOM 85 O GLY A 12 10.607 2.380 -0.523 1.00 0.00 ATOM 86 N VAL A 13 11.535 4.408 -0.212 1.00 0.00 ATOM 87 CA VAL A 13 11.091 4.521 1.173 1.00 0.00 ATOM 88 C VAL A 13 9.592 4.738 1.196 1.00 0.00 ATOM 89 O VAL A 13 9.078 5.560 0.445 1.00 0.00 ATOM 90 CB VAL A 13 11.782 5.711 1.900 1.00 0.00 ATOM 91 CG1 VAL A 13 11.249 5.869 3.333 1.00 0.00 ATOM 92 CG2 VAL A 13 13.287 5.502 1.916 1.00 0.00 ATOM 93 N ILE A 14 8.888 3.952 2.005 1.00 0.00 ATOM 94 CA ILE A 14 7.449 4.104 2.127 1.00 0.00 ATOM 95 C ILE A 14 7.083 4.445 3.562 1.00 0.00 ATOM 96 O ILE A 14 6.001 4.960 3.822 1.00 0.00 ATOM 97 CB ILE A 14 6.648 2.833 1.700 1.00 0.00 ATOM 98 CG1 ILE A 14 6.988 1.644 2.596 1.00 0.00 ATOM 99 CG2 ILE A 14 6.872 2.524 0.242 1.00 0.00 ATOM 100 CD1 ILE A 14 6.010 0.468 2.490 1.00 0.00 ATOM 101 N GLY A 15 7.994 4.191 4.498 1.00 0.00 ATOM 102 CA GLY A 15 7.699 4.471 5.895 1.00 0.00 ATOM 103 C GLY A 15 8.940 4.712 6.725 1.00 0.00 ATOM 104 O GLY A 15 10.000 4.147 6.452 1.00 0.00 ATOM 105 N ARG A 16 8.804 5.566 7.734 1.00 0.00 ATOM 106 CA ARG A 16 9.905 5.906 8.632 1.00 0.00 ATOM 107 C ARG A 16 9.331 6.375 9.963 1.00 0.00 ATOM 108 O ARG A 16 8.442 7.217 9.985 1.00 0.00 ATOM 109 CB ARG A 16 10.781 7.004 8.026 1.00 0.00 ATOM 110 CG ARG A 16 11.960 7.387 8.905 1.00 0.00 ATOM 111 CD ARG A 16 12.892 8.330 8.189 1.00 0.00 ATOM 112 NE ARG A 16 13.458 7.722 6.993 1.00 0.00 ATOM 113 CZ ARG A 16 14.131 8.394 6.067 1.00 0.00 ATOM 114 NH1 ARG A 16 14.310 9.691 6.204 1.00 0.00 ATOM 115 NH2 ARG A 16 14.642 7.775 5.009 1.00 0.00 ATOM 116 N GLY A 17 9.825 5.814 11.068 1.00 0.00 ATOM 117 CA GLY A 17 9.339 6.191 12.390 1.00 0.00 ATOM 118 C GLY A 17 7.873 5.849 12.592 1.00 0.00 ATOM 119 O GLY A 17 7.176 6.454 13.409 1.00 0.00 ATOM 120 N GLY A 18 7.400 4.869 11.835 1.00 0.00 ATOM 121 CA GLY A 18 6.015 4.474 11.934 1.00 0.00 ATOM 122 C GLY A 18 5.066 5.376 11.166 1.00 0.00 ATOM 123 O GLY A 18 3.859 5.183 11.252 1.00 0.00 ATOM 124 N ASP A 19 5.588 6.326 10.392 1.00 0.00 ATOM 125 CA ASP A 19 4.741 7.244 9.620 1.00 0.00 ATOM 126 C ASP A 19 5.092 7.223 8.138 1.00 0.00 ATOM 127 O ASP A 19 6.038 6.562 7.726 1.00 0.00 ATOM 128 CB ASP A 19 4.943 8.700 10.087 1.00 0.00 ATOM 129 CG ASP A 19 4.688 8.901 11.574 1.00 0.00 ATOM 130 OD1 ASP A 19 5.505 9.604 12.222 1.00 0.00 ATOM 131 OD2 ASP A 19 3.676 8.375 12.088 1.00 0.00 ATOM 132 N ILE A 20 4.278 7.904 7.338 1.00 0.00 ATOM 133 CA ILE A 20 4.557 8.060 5.921 1.00 0.00 ATOM 134 C ILE A 20 5.328 9.381 5.998 1.00 0.00 ATOM 135 O ILE A 20 4.806 10.369 6.504 1.00 0.00 ATOM 136 CB ILE A 20 3.279 8.207 5.094 1.00 0.00 ATOM 137 CG1 ILE A 20 2.551 6.858 5.032 1.00 0.00 ATOM 138 CG2 ILE A 20 3.613 8.681 3.705 1.00 0.00 ATOM 139 CD1 ILE A 20 1.351 6.819 4.092 1.00 0.00 ATOM 140 N PRO A 21 6.577 9.414 5.506 1.00 0.00 ATOM 141 CA PRO A 21 7.424 10.608 5.542 1.00 0.00 ATOM 142 C PRO A 21 7.161 11.744 4.554 1.00 0.00 ATOM 143 O PRO A 21 8.101 12.386 4.085 1.00 0.00 ATOM 144 CB PRO A 21 8.841 10.039 5.361 1.00 0.00 ATOM 145 CG PRO A 21 8.653 8.531 5.121 1.00 0.00 ATOM 146 CD PRO A 21 7.228 8.354 4.725 1.00 0.00 ATOM 147 N TRP A 22 5.899 11.999 4.242 1.00 0.00 ATOM 148 CA TRP A 22 5.542 13.081 3.325 1.00 0.00 ATOM 149 C TRP A 22 4.056 13.356 3.383 1.00 0.00 ATOM 150 O TRP A 22 3.289 12.556 3.909 1.00 0.00 ATOM 151 CB TRP A 22 5.946 12.765 1.874 1.00 0.00 ATOM 152 CG TRP A 22 5.300 11.539 1.284 1.00 0.00 ATOM 153 CD1 TRP A 22 4.031 11.431 0.797 1.00 0.00 ATOM 154 CD2 TRP A 22 5.895 10.246 1.137 1.00 0.00 ATOM 155 NE1 TRP A 22 3.796 10.146 0.361 1.00 0.00 ATOM 156 CE2 TRP A 22 4.923 9.399 0.560 1.00 0.00 ATOM 157 CE3 TRP A 22 7.158 9.716 1.445 1.00 0.00 ATOM 158 CZ2 TRP A 22 5.171 8.056 0.285 1.00 0.00 ATOM 159 CZ3 TRP A 22 7.400 8.369 1.168 1.00 0.00 ATOM 160 CH2 TRP A 22 6.409 7.561 0.597 1.00 0.00 ATOM 161 N ARG A 23 3.665 14.501 2.840 1.00 0.00 ATOM 162 CA ARG A 23 2.262 14.893 2.793 1.00 0.00 ATOM 163 C ARG A 23 1.862 14.994 1.332 1.00 0.00 ATOM 164 O ARG A 23 2.514 15.679 0.538 1.00 0.00 ATOM 165 CB ARG A 23 1.993 16.228 3.514 1.00 0.00 ATOM 166 CG ARG A 23 3.174 16.877 4.228 1.00 0.00 ATOM 167 CD ARG A 23 4.185 17.444 3.223 1.00 0.00 ATOM 168 NE ARG A 23 5.295 16.523 2.965 1.00 0.00 ATOM 169 CZ ARG A 23 6.397 16.843 2.292 1.00 0.00 ATOM 170 NH1 ARG A 23 6.545 18.062 1.783 1.00 0.00 ATOM 171 NH2 ARG A 23 7.392 15.970 2.192 1.00 0.00 ATOM 172 N LEU A 24 0.805 14.271 0.985 1.00 0.00 ATOM 173 CA LEU A 24 0.281 14.219 -0.371 1.00 0.00 ATOM 174 C LEU A 24 -1.200 13.995 -0.195 1.00 0.00 ATOM 175 O LEU A 24 -1.671 12.863 -0.223 1.00 0.00 ATOM 176 CB LEU A 24 0.902 13.035 -1.135 1.00 0.00 ATOM 177 CG LEU A 24 0.633 12.905 -2.635 1.00 0.00 ATOM 178 CD1 LEU A 24 1.054 14.154 -3.341 1.00 0.00 ATOM 179 CD2 LEU A 24 1.411 11.758 -3.197 1.00 0.00 ATOM 180 N PRO A 25 -1.959 15.078 0.009 1.00 0.00 ATOM 181 CA PRO A 25 -3.407 15.018 0.204 1.00 0.00 ATOM 182 C PRO A 25 -4.194 14.334 -0.910 1.00 0.00 ATOM 183 O PRO A 25 -5.222 13.722 -0.635 1.00 0.00 ATOM 184 CB PRO A 25 -3.788 16.486 0.385 1.00 0.00 ATOM 185 CG PRO A 25 -2.724 17.222 -0.371 1.00 0.00 ATOM 186 CD PRO A 25 -1.488 16.473 0.021 1.00 0.00 ATOM 187 N GLU A 26 -3.696 14.383 -2.144 1.00 0.00 ATOM 188 CA GLU A 26 -4.383 13.750 -3.274 1.00 0.00 ATOM 189 C GLU A 26 -4.278 12.226 -3.254 1.00 0.00 ATOM 190 O GLU A 26 -4.952 11.535 -4.023 1.00 0.00 ATOM 191 CB GLU A 26 -3.813 14.248 -4.603 1.00 0.00 ATOM 192 CG GLU A 26 -3.989 15.732 -4.844 1.00 0.00 ATOM 193 CD GLU A 26 -2.898 16.573 -4.223 1.00 0.00 ATOM 194 OE1 GLU A 26 -2.070 16.028 -3.462 1.00 0.00 ATOM 195 OE2 GLU A 26 -2.867 17.793 -4.509 1.00 0.00 ATOM 196 N ASP A 27 -3.400 11.714 -2.400 1.00 0.00 ATOM 197 CA ASP A 27 -3.174 10.279 -2.296 1.00 0.00 ATOM 198 C ASP A 27 -4.391 9.570 -1.732 1.00 0.00 ATOM 199 O ASP A 27 -4.848 8.566 -2.276 1.00 0.00 ATOM 200 CB ASP A 27 -1.938 10.018 -1.423 1.00 0.00 ATOM 201 CG ASP A 27 -1.631 8.537 -1.236 1.00 0.00 ATOM 202 OD1 ASP A 27 -1.279 7.852 -2.212 1.00 0.00 ATOM 203 OD2 ASP A 27 -1.709 8.063 -0.089 1.00 0.00 ATOM 204 N GLN A 28 -4.946 10.149 -0.678 1.00 0.00 ATOM 205 CA GLN A 28 -6.104 9.590 0.013 1.00 0.00 ATOM 206 C GLN A 28 -7.252 9.211 -0.914 1.00 0.00 ATOM 207 O GLN A 28 -7.851 8.144 -0.766 1.00 0.00 ATOM 208 CB GLN A 28 -6.584 10.582 1.074 1.00 0.00 ATOM 209 CG GLN A 28 -5.429 11.160 1.904 1.00 0.00 ATOM 210 CD GLN A 28 -5.753 12.517 2.536 1.00 0.00 ATOM 211 OE1 GLN A 28 -6.578 13.292 2.020 1.00 0.00 ATOM 212 NE2 GLN A 28 -5.081 12.822 3.649 1.00 0.00 ATOM 213 N ALA A 29 -7.536 10.082 -1.879 1.00 0.00 ATOM 214 CA ALA A 29 -8.618 9.872 -2.829 1.00 0.00 ATOM 215 C ALA A 29 -8.303 8.806 -3.862 1.00 0.00 ATOM 216 O ALA A 29 -9.203 8.103 -4.319 1.00 0.00 ATOM 217 CB ALA A 29 -8.972 11.177 -3.507 1.00 0.00 ATOM 218 N HIS A 30 -7.044 8.718 -4.285 1.00 0.00 ATOM 219 CA HIS A 30 -6.665 7.697 -5.257 1.00 0.00 ATOM 220 C HIS A 30 -6.693 6.320 -4.573 1.00 0.00 ATOM 221 O HIS A 30 -7.133 5.326 -5.146 1.00 0.00 ATOM 222 CB HIS A 30 -5.277 7.966 -5.839 1.00 0.00 ATOM 223 CG HIS A 30 -4.825 6.897 -6.785 1.00 0.00 ATOM 224 ND1 HIS A 30 -3.750 6.071 -6.519 1.00 0.00 ATOM 225 CD2 HIS A 30 -5.347 6.468 -7.957 1.00 0.00 ATOM 226 CE1 HIS A 30 -3.633 5.179 -7.487 1.00 0.00 ATOM 227 NE2 HIS A 30 -4.588 5.397 -8.372 1.00 0.00 ATOM 228 N PHE A 31 -6.206 6.277 -3.343 1.00 0.00 ATOM 229 CA PHE A 31 -6.192 5.053 -2.560 1.00 0.00 ATOM 230 C PHE A 31 -7.633 4.585 -2.367 1.00 0.00 ATOM 231 O PHE A 31 -7.949 3.413 -2.574 1.00 0.00 ATOM 232 CB PHE A 31 -5.520 5.331 -1.210 1.00 0.00 ATOM 233 CG PHE A 31 -5.630 4.207 -0.216 1.00 0.00 ATOM 234 CD1 PHE A 31 -4.886 3.042 -0.370 1.00 0.00 ATOM 235 CD2 PHE A 31 -6.469 4.325 0.885 1.00 0.00 ATOM 236 CE1 PHE A 31 -4.972 2.014 0.556 1.00 0.00 ATOM 237 CE2 PHE A 31 -6.560 3.303 1.821 1.00 0.00 ATOM 238 CZ PHE A 31 -5.805 2.139 1.653 1.00 0.00 ATOM 239 N ARG A 32 -8.509 5.519 -2.010 1.00 0.00 ATOM 240 CA ARG A 32 -9.917 5.229 -1.786 1.00 0.00 ATOM 241 C ARG A 32 -10.570 4.670 -3.044 1.00 0.00 ATOM 242 O ARG A 32 -11.207 3.620 -3.008 1.00 0.00 ATOM 243 CB ARG A 32 -10.645 6.504 -1.341 1.00 0.00 ATOM 244 CG ARG A 32 -12.093 6.299 -0.929 1.00 0.00 ATOM 245 CD ARG A 32 -12.817 7.625 -0.717 1.00 0.00 ATOM 246 NE ARG A 32 -14.239 7.447 -0.370 1.00 0.00 ATOM 247 CZ ARG A 32 -15.183 6.942 -1.175 1.00 0.00 ATOM 248 NH1 ARG A 32 -14.887 6.545 -2.408 1.00 0.00 ATOM 249 NH2 ARG A 32 -16.433 6.822 -0.737 1.00 0.00 ATOM 250 N GLU A 33 -10.348 5.350 -4.164 1.00 0.00 ATOM 251 CA GLU A 33 -10.913 4.971 -5.445 1.00 0.00 ATOM 252 C GLU A 33 -10.592 3.528 -5.824 1.00 0.00 ATOM 253 O GLU A 33 -11.457 2.794 -6.302 1.00 0.00 ATOM 254 CB GLU A 33 -10.398 5.930 -6.529 1.00 0.00 ATOM 255 CG GLU A 33 -11.332 6.143 -7.718 1.00 0.00 ATOM 256 CD GLU A 33 -11.653 4.853 -8.465 1.00 0.00 ATOM 257 OE1 GLU A 33 -10.734 4.296 -9.114 1.00 0.00 ATOM 258 OE2 GLU A 33 -12.818 4.384 -8.385 1.00 0.00 ATOM 259 N ILE A 34 -9.354 3.118 -5.582 1.00 0.00 ATOM 260 CA ILE A 34 -8.901 1.777 -5.929 1.00 0.00 ATOM 261 C ILE A 34 -9.386 0.692 -4.964 1.00 0.00 ATOM 262 O ILE A 34 -9.823 -0.386 -5.395 1.00 0.00 ATOM 263 CB ILE A 34 -7.343 1.748 -6.011 1.00 0.00 ATOM 264 CG1 ILE A 34 -6.848 2.478 -7.270 1.00 0.00 ATOM 265 CG2 ILE A 34 -6.813 0.328 -5.939 1.00 0.00 ATOM 266 CD1 ILE A 34 -7.175 1.780 -8.566 1.00 0.00 ATOM 267 N THR A 35 -9.341 0.996 -3.669 1.00 0.00 ATOM 268 CA THR A 35 -9.709 0.037 -2.634 1.00 0.00 ATOM 269 C THR A 35 -11.167 -0.058 -2.203 1.00 0.00 ATOM 270 O THR A 35 -11.588 -1.093 -1.691 1.00 0.00 ATOM 271 CB THR A 35 -8.831 0.239 -1.366 1.00 0.00 ATOM 272 OG1 THR A 35 -9.074 1.530 -0.780 1.00 0.00 ATOM 273 CG2 THR A 35 -7.357 0.114 -1.723 1.00 0.00 ATOM 274 N MET A 36 -11.944 0.997 -2.430 1.00 0.00 ATOM 275 CA MET A 36 -13.336 1.027 -1.993 1.00 0.00 ATOM 276 C MET A 36 -14.174 -0.193 -2.371 1.00 0.00 ATOM 277 O MET A 36 -14.125 -0.665 -3.497 1.00 0.00 ATOM 278 CB MET A 36 -14.010 2.316 -2.471 1.00 0.00 ATOM 279 CG MET A 36 -15.363 2.562 -1.818 1.00 0.00 ATOM 280 SD MET A 36 -15.317 2.566 -0.000 1.00 0.00 ATOM 281 CE MET A 36 -14.159 3.876 0.311 1.00 0.00 ATOM 282 N GLY A 37 -14.916 -0.721 -1.396 1.00 0.00 ATOM 283 CA GLY A 37 -15.761 -1.880 -1.632 1.00 0.00 ATOM 284 C GLY A 37 -15.056 -3.229 -1.665 1.00 0.00 ATOM 285 O GLY A 37 -15.703 -4.259 -1.875 1.00 0.00 ATOM 286 N HIS A 38 -13.744 -3.248 -1.455 1.00 0.00 ATOM 287 CA HIS A 38 -13.010 -4.505 -1.491 1.00 0.00 ATOM 288 C HIS A 38 -12.480 -4.894 -0.138 1.00 0.00 ATOM 289 O HIS A 38 -12.702 -4.211 0.850 1.00 0.00 ATOM 290 CB HIS A 38 -11.841 -4.432 -2.482 1.00 0.00 ATOM 291 CG HIS A 38 -12.260 -4.148 -3.890 1.00 0.00 ATOM 292 ND1 HIS A 38 -13.173 -4.932 -4.566 1.00 0.00 ATOM 293 CD2 HIS A 38 -11.940 -3.136 -4.728 1.00 0.00 ATOM 294 CE1 HIS A 38 -13.403 -4.409 -5.756 1.00 0.00 ATOM 295 NE2 HIS A 38 -12.668 -3.319 -5.879 1.00 0.00 ATOM 296 N THR A 39 -11.869 -6.067 -0.084 1.00 0.00 ATOM 297 CA THR A 39 -11.259 -6.529 1.142 1.00 0.00 ATOM 298 C THR A 39 -9.863 -5.925 1.094 1.00 0.00 ATOM 299 O THR A 39 -9.238 -5.868 0.027 1.00 0.00 ATOM 300 CB THR A 39 -11.154 -8.081 1.181 1.00 0.00 ATOM 301 OG1 THR A 39 -12.449 -8.637 1.411 1.00 0.00 ATOM 302 CG2 THR A 39 -10.218 -8.543 2.296 1.00 0.00 ATOM 303 N ILE A 40 -9.410 -5.393 2.225 1.00 0.00 ATOM 304 CA ILE A 40 -8.068 -4.826 2.301 1.00 0.00 ATOM 305 C ILE A 40 -7.246 -5.562 3.363 1.00 0.00 ATOM 306 O ILE A 40 -7.737 -5.844 4.452 1.00 0.00 ATOM 307 CB ILE A 40 -8.098 -3.308 2.591 1.00 0.00 ATOM 308 CG1 ILE A 40 -8.798 -3.031 3.911 1.00 0.00 ATOM 309 CG2 ILE A 40 -8.824 -2.573 1.463 1.00 0.00 ATOM 310 CD1 ILE A 40 -8.736 -1.604 4.296 1.00 0.00 ATOM 311 N VAL A 41 -6.025 -5.942 3.003 1.00 0.00 ATOM 312 CA VAL A 41 -5.128 -6.650 3.913 1.00 0.00 ATOM 313 C VAL A 41 -3.934 -5.778 4.331 1.00 0.00 ATOM 314 O VAL A 41 -3.319 -5.111 3.509 1.00 0.00 ATOM 315 CB VAL A 41 -4.654 -7.973 3.274 1.00 0.00 ATOM 316 CG1 VAL A 41 -3.593 -8.651 4.140 1.00 0.00 ATOM 317 CG2 VAL A 41 -5.835 -8.881 3.094 1.00 0.00 ATOM 318 N MET A 42 -3.626 -5.774 5.623 1.00 0.00 ATOM 319 CA MET A 42 -2.522 -4.979 6.127 1.00 0.00 ATOM 320 C MET A 42 -1.817 -5.675 7.293 1.00 0.00 ATOM 321 O MET A 42 -2.404 -6.524 7.968 1.00 0.00 ATOM 322 CB MET A 42 -3.051 -3.626 6.609 1.00 0.00 ATOM 323 CG MET A 42 -3.849 -3.719 7.916 1.00 0.00 ATOM 324 SD MET A 42 -4.709 -2.223 8.288 1.00 0.00 ATOM 325 CE MET A 42 -6.237 -2.544 7.404 1.00 0.00 ATOM 326 N GLY A 43 -0.551 -5.326 7.506 1.00 0.00 ATOM 327 CA GLY A 43 0.185 -5.871 8.631 1.00 0.00 ATOM 328 C GLY A 43 -0.224 -5.129 9.890 1.00 0.00 ATOM 329 O GLY A 43 -0.690 -3.997 9.826 1.00 0.00 ATOM 330 N ARG A 44 -0.031 -5.757 11.043 1.00 0.00 ATOM 331 CA ARG A 44 -0.402 -5.174 12.326 1.00 0.00 ATOM 332 C ARG A 44 0.132 -3.763 12.530 1.00 0.00 ATOM 333 O ARG A 44 -0.547 -2.894 13.077 1.00 0.00 ATOM 334 CB ARG A 44 0.074 -6.106 13.450 1.00 0.00 ATOM 335 CG ARG A 44 -0.524 -5.833 14.825 1.00 0.00 ATOM 336 CD ARG A 44 0.373 -4.957 15.655 1.00 0.00 ATOM 337 NE ARG A 44 1.670 -5.592 15.869 1.00 0.00 ATOM 338 CZ ARG A 44 2.760 -4.945 16.274 1.00 0.00 ATOM 339 NH1 ARG A 44 2.717 -3.642 16.513 1.00 0.00 ATOM 340 NH2 ARG A 44 3.899 -5.600 16.426 1.00 0.00 ATOM 341 N ARG A 45 1.361 -3.531 12.105 1.00 0.00 ATOM 342 CA ARG A 45 1.953 -2.214 12.262 1.00 0.00 ATOM 343 C ARG A 45 1.273 -1.156 11.412 1.00 0.00 ATOM 344 O ARG A 45 1.250 0.018 11.788 1.00 0.00 ATOM 345 CB ARG A 45 3.433 -2.250 11.946 1.00 0.00 ATOM 346 CG ARG A 45 4.264 -2.998 12.936 1.00 0.00 ATOM 347 CD ARG A 45 5.688 -2.749 12.567 1.00 0.00 ATOM 348 NE ARG A 45 6.623 -3.333 13.499 1.00 0.00 ATOM 349 CZ ARG A 45 7.877 -3.628 13.178 1.00 0.00 ATOM 350 NH1 ARG A 45 8.320 -3.384 11.948 1.00 0.00 ATOM 351 NH2 ARG A 45 8.685 -4.177 14.080 1.00 0.00 ATOM 352 N THR A 46 0.782 -1.540 10.236 1.00 0.00 ATOM 353 CA THR A 46 0.077 -0.582 9.390 1.00 0.00 ATOM 354 C THR A 46 -1.250 -0.245 10.080 1.00 0.00 ATOM 355 O THR A 46 -1.678 0.907 10.107 1.00 0.00 ATOM 356 CB THR A 46 -0.154 -1.140 7.971 1.00 0.00 ATOM 357 OG1 THR A 46 1.106 -1.230 7.298 1.00 0.00 ATOM 358 CG2 THR A 46 -1.048 -0.223 7.166 1.00 0.00 ATOM 359 N TRP A 47 -1.872 -1.256 10.679 1.00 0.00 ATOM 360 CA TRP A 47 -3.115 -1.055 11.402 1.00 0.00 ATOM 361 C TRP A 47 -2.878 -0.041 12.524 1.00 0.00 ATOM 362 O TRP A 47 -3.661 0.889 12.690 1.00 0.00 ATOM 363 CB TRP A 47 -3.612 -2.376 11.994 1.00 0.00 ATOM 364 CG TRP A 47 -4.765 -2.169 12.941 1.00 0.00 ATOM 365 CD1 TRP A 47 -4.698 -2.091 14.300 1.00 0.00 ATOM 366 CD2 TRP A 47 -6.158 -2.025 12.597 1.00 0.00 ATOM 367 NE1 TRP A 47 -5.957 -1.911 14.825 1.00 0.00 ATOM 368 CE2 TRP A 47 -6.871 -1.876 13.803 1.00 0.00 ATOM 369 CE3 TRP A 47 -6.873 -2.024 11.387 1.00 0.00 ATOM 370 CZ2 TRP A 47 -8.269 -1.728 13.839 1.00 0.00 ATOM 371 CZ3 TRP A 47 -8.268 -1.876 11.421 1.00 0.00 ATOM 372 CH2 TRP A 47 -8.944 -1.731 12.640 1.00 0.00 ATOM 373 N ASP A 48 -1.801 -0.233 13.294 1.00 0.00 ATOM 374 CA ASP A 48 -1.444 0.680 14.389 1.00 0.00 ATOM 375 C ASP A 48 -1.166 2.086 13.871 1.00 0.00 ATOM 376 O ASP A 48 -1.431 3.070 14.551 1.00 0.00 ATOM 377 CB ASP A 48 -0.210 0.176 15.141 1.00 0.00 ATOM 378 CG ASP A 48 -0.474 -1.104 15.924 1.00 0.00 ATOM 379 OD1 ASP A 48 0.508 -1.822 16.198 1.00 0.00 ATOM 380 OD2 ASP A 48 -1.640 -1.395 16.276 1.00 0.00 ATOM 381 N SER A 49 -0.650 2.164 12.649 1.00 0.00 ATOM 382 CA SER A 49 -0.326 3.424 11.995 1.00 0.00 ATOM 383 C SER A 49 -1.577 4.215 11.592 1.00 0.00 ATOM 384 O SER A 49 -1.538 5.435 11.460 1.00 0.00 ATOM 385 CB SER A 49 0.535 3.136 10.761 1.00 0.00 ATOM 386 OG SER A 49 1.005 4.326 10.156 1.00 0.00 ATOM 387 N LEU A 50 -2.687 3.524 11.373 1.00 0.00 ATOM 388 CA LEU A 50 -3.911 4.210 10.987 1.00 0.00 ATOM 389 C LEU A 50 -4.449 5.055 12.142 1.00 0.00 ATOM 390 O LEU A 50 -4.480 4.600 13.294 1.00 0.00 ATOM 391 CB LEU A 50 -4.985 3.201 10.565 1.00 0.00 ATOM 392 CG LEU A 50 -4.779 2.349 9.315 1.00 0.00 ATOM 393 CD1 LEU A 50 -5.925 1.369 9.172 1.00 0.00 ATOM 394 CD2 LEU A 50 -4.684 3.244 8.100 1.00 0.00 ATOM 395 N PRO A 51 -4.837 6.317 11.863 1.00 0.00 ATOM 396 CA PRO A 51 -5.379 7.165 12.932 1.00 0.00 ATOM 397 C PRO A 51 -6.633 6.473 13.484 1.00 0.00 ATOM 398 O PRO A 51 -7.413 5.888 12.723 1.00 0.00 ATOM 399 CB PRO A 51 -5.748 8.447 12.189 1.00 0.00 ATOM 400 CG PRO A 51 -4.734 8.504 11.088 1.00 0.00 ATOM 401 CD PRO A 51 -4.709 7.073 10.601 1.00 0.00 ATOM 402 N ALA A 52 -6.809 6.515 14.801 1.00 0.00 ATOM 403 CA ALA A 52 -7.959 5.886 15.450 1.00 0.00 ATOM 404 C ALA A 52 -9.321 6.300 14.895 1.00 0.00 ATOM 405 O ALA A 52 -10.250 5.496 14.841 1.00 0.00 ATOM 406 CB ALA A 52 -7.916 6.148 16.934 1.00 0.00 ATOM 407 N LYS A 53 -9.445 7.549 14.469 1.00 0.00 ATOM 408 CA LYS A 53 -10.711 8.026 13.938 1.00 0.00 ATOM 409 C LYS A 53 -11.013 7.506 12.543 1.00 0.00 ATOM 410 O LYS A 53 -12.160 7.531 12.119 1.00 0.00 ATOM 411 CB LYS A 53 -10.767 9.555 13.960 1.00 0.00 ATOM 412 CG LYS A 53 -9.831 10.241 12.993 1.00 0.00 ATOM 413 CD LYS A 53 -9.901 11.752 13.143 1.00 0.00 ATOM 414 CE LYS A 53 -9.174 12.463 11.995 1.00 0.00 ATOM 415 NZ LYS A 53 -7.769 11.964 11.782 1.00 0.00 ATOM 416 N VAL A 54 -9.999 7.024 11.830 1.00 0.00 ATOM 417 CA VAL A 54 -10.225 6.516 10.472 1.00 0.00 ATOM 418 C VAL A 54 -10.237 4.989 10.334 1.00 0.00 ATOM 419 O VAL A 54 -10.530 4.483 9.260 1.00 0.00 ATOM 420 CB VAL A 54 -9.221 7.125 9.416 1.00 0.00 ATOM 421 CG1 VAL A 54 -8.982 8.609 9.679 1.00 0.00 ATOM 422 CG2 VAL A 54 -7.902 6.364 9.385 1.00 0.00 ATOM 423 N ARG A 55 -9.949 4.256 11.409 1.00 0.00 ATOM 424 CA ARG A 55 -9.922 2.798 11.350 1.00 0.00 ATOM 425 C ARG A 55 -11.078 2.142 12.099 1.00 0.00 ATOM 426 O ARG A 55 -11.422 2.557 13.202 1.00 0.00 ATOM 427 CB ARG A 55 -8.614 2.275 11.917 1.00 0.00 ATOM 428 CG ARG A 55 -8.538 2.416 13.398 1.00 0.00 ATOM 429 CD ARG A 55 -7.536 1.488 13.973 1.00 0.00 ATOM 430 NE ARG A 55 -6.330 2.195 14.352 1.00 0.00 ATOM 431 CZ ARG A 55 -5.609 1.915 15.430 1.00 0.00 ATOM 432 NH1 ARG A 55 -5.975 0.939 16.245 1.00 0.00 ATOM 433 NH2 ARG A 55 -4.509 2.606 15.688 1.00 0.00 ATOM 434 N PRO A 56 -11.656 1.065 11.538 1.00 0.00 ATOM 435 CA PRO A 56 -11.284 0.452 10.263 1.00 0.00 ATOM 436 C PRO A 56 -11.656 1.357 9.102 1.00 0.00 ATOM 437 O PRO A 56 -12.540 2.198 9.230 1.00 0.00 ATOM 438 CB PRO A 56 -12.124 -0.819 10.250 1.00 0.00 ATOM 439 CG PRO A 56 -13.365 -0.389 10.950 1.00 0.00 ATOM 440 CD PRO A 56 -12.799 0.347 12.136 1.00 0.00 ATOM 441 N LEU A 57 -10.941 1.226 7.990 1.00 0.00 ATOM 442 CA LEU A 57 -11.234 2.025 6.813 1.00 0.00 ATOM 443 C LEU A 57 -12.651 1.688 6.367 1.00 0.00 ATOM 444 O LEU A 57 -12.974 0.516 6.137 1.00 0.00 ATOM 445 CB LEU A 57 -10.241 1.709 5.706 1.00 0.00 ATOM 446 CG LEU A 57 -8.825 2.091 6.091 1.00 0.00 ATOM 447 CD1 LEU A 57 -7.869 1.764 4.955 1.00 0.00 ATOM 448 CD2 LEU A 57 -8.806 3.584 6.403 1.00 0.00 ATOM 449 N PRO A 58 -13.518 2.714 6.246 1.00 0.00 ATOM 450 CA PRO A 58 -14.922 2.568 5.838 1.00 0.00 ATOM 451 C PRO A 58 -15.152 2.033 4.430 1.00 0.00 ATOM 452 O PRO A 58 -14.392 2.352 3.512 1.00 0.00 ATOM 453 CB PRO A 58 -15.466 3.998 5.978 1.00 0.00 ATOM 454 CG PRO A 58 -14.569 4.612 7.018 1.00 0.00 ATOM 455 CD PRO A 58 -13.221 4.116 6.581 1.00 0.00 ATOM 456 N GLY A 59 -16.188 1.207 4.273 1.00 0.00 ATOM 457 CA GLY A 59 -16.538 0.674 2.968 1.00 0.00 ATOM 458 C GLY A 59 -15.651 -0.430 2.449 1.00 0.00 ATOM 459 O GLY A 59 -15.702 -0.770 1.268 1.00 0.00 ATOM 460 N ARG A 60 -14.860 -1.013 3.339 1.00 0.00 ATOM 461 CA ARG A 60 -13.938 -2.072 2.967 1.00 0.00 ATOM 462 C ARG A 60 -13.843 -3.049 4.100 1.00 0.00 ATOM 463 O ARG A 60 -14.011 -2.674 5.247 1.00 0.00 ATOM 464 CB ARG A 60 -12.551 -1.477 2.704 1.00 0.00 ATOM 465 CG ARG A 60 -12.440 -0.769 1.375 1.00 0.00 ATOM 466 CD ARG A 60 -11.445 0.351 1.413 1.00 0.00 ATOM 467 NE ARG A 60 -11.917 1.462 2.234 1.00 0.00 ATOM 468 CZ ARG A 60 -11.303 2.637 2.340 1.00 0.00 ATOM 469 NH1 ARG A 60 -10.178 2.870 1.671 1.00 0.00 ATOM 470 NH2 ARG A 60 -11.817 3.574 3.122 1.00 0.00 ATOM 471 N ARG A 61 -13.609 -4.313 3.786 1.00 0.00 ATOM 472 CA ARG A 61 -13.460 -5.315 4.828 1.00 0.00 ATOM 473 C ARG A 61 -11.980 -5.276 5.234 1.00 0.00 ATOM 474 O ARG A 61 -11.101 -5.585 4.434 1.00 0.00 ATOM 475 CB ARG A 61 -13.856 -6.696 4.297 1.00 0.00 ATOM 476 CG ARG A 61 -13.758 -7.814 5.329 1.00 0.00 ATOM 477 CD ARG A 61 -14.137 -9.141 4.721 1.00 0.00 ATOM 478 NE ARG A 61 -14.057 -10.216 5.706 1.00 0.00 ATOM 479 CZ ARG A 61 -14.095 -11.514 5.414 1.00 0.00 ATOM 480 NH1 ARG A 61 -14.213 -11.916 4.156 1.00 0.00 ATOM 481 NH2 ARG A 61 -14.000 -12.418 6.383 1.00 0.00 ATOM 482 N ASN A 62 -11.709 -4.825 6.456 1.00 0.00 ATOM 483 CA ASN A 62 -10.345 -4.695 6.947 1.00 0.00 ATOM 484 C ASN A 62 -9.805 -5.974 7.522 1.00 0.00 ATOM 485 O ASN A 62 -10.383 -6.528 8.461 1.00 0.00 ATOM 486 CB ASN A 62 -10.275 -3.632 8.023 1.00 0.00 ATOM 487 CG ASN A 62 -10.497 -2.253 7.486 1.00 0.00 ATOM 488 OD1 ASN A 62 -11.431 -2.008 6.709 1.00 0.00 ATOM 489 ND2 ASN A 62 -9.667 -1.322 7.919 1.00 0.00 ATOM 490 N VAL A 63 -8.697 -6.450 6.962 1.00 0.00 ATOM 491 CA VAL A 63 -8.078 -7.681 7.446 1.00 0.00 ATOM 492 C VAL A 63 -6.675 -7.343 7.939 1.00 0.00 ATOM 493 O VAL A 63 -5.899 -6.733 7.214 1.00 0.00 ATOM 494 CB VAL A 63 -8.008 -8.772 6.342 1.00 0.00 ATOM 495 CG1 VAL A 63 -7.379 -10.058 6.901 1.00 0.00 ATOM 496 CG2 VAL A 63 -9.408 -9.082 5.804 1.00 0.00 ATOM 497 N VAL A 64 -6.374 -7.720 9.183 1.00 0.00 ATOM 498 CA VAL A 64 -5.079 -7.453 9.792 1.00 0.00 ATOM 499 C VAL A 64 -4.314 -8.740 10.085 1.00 0.00 ATOM 500 O VAL A 64 -4.818 -9.642 10.764 1.00 0.00 ATOM 501 CB VAL A 64 -5.248 -6.680 11.095 1.00 0.00 ATOM 502 CG1 VAL A 64 -3.896 -6.267 11.643 1.00 0.00 ATOM 503 CG2 VAL A 64 -6.118 -5.471 10.865 1.00 0.00 ATOM 504 N LEU A 65 -3.088 -8.814 9.576 1.00 0.00 ATOM 505 CA LEU A 65 -2.235 -9.976 9.750 1.00 0.00 ATOM 506 C LEU A 65 -1.404 -9.800 11.020 1.00 0.00 ATOM 507 O LEU A 65 -0.736 -8.778 11.183 1.00 0.00 ATOM 508 CB LEU A 65 -1.297 -10.071 8.552 1.00 0.00 ATOM 509 CG LEU A 65 -1.171 -11.348 7.738 1.00 0.00 ATOM 510 CD1 LEU A 65 0.089 -11.237 6.907 1.00 0.00 ATOM 511 CD2 LEU A 65 -1.058 -12.551 8.640 1.00 0.00 ATOM 512 N SER A 66 -1.443 -10.783 11.918 1.00 0.00 ATOM 513 CA SER A 66 -0.666 -10.726 13.156 1.00 0.00 ATOM 514 C SER A 66 -0.295 -12.122 13.638 1.00 0.00 ATOM 515 O SER A 66 -1.009 -13.086 13.377 1.00 0.00 ATOM 516 CB SER A 66 -1.451 -10.002 14.254 1.00 0.00 ATOM 517 OG SER A 66 -0.722 -9.979 15.473 1.00 0.00 ATOM 518 N ARG A 67 0.848 -12.245 14.300 1.00 0.00 ATOM 519 CA ARG A 67 1.250 -13.547 14.827 1.00 0.00 ATOM 520 C ARG A 67 0.671 -13.787 16.218 1.00 0.00 ATOM 521 O ARG A 67 0.778 -14.883 16.756 1.00 0.00 ATOM 522 CB ARG A 67 2.762 -13.694 14.858 1.00 0.00 ATOM 523 CG ARG A 67 3.361 -13.965 13.499 1.00 0.00 ATOM 524 CD ARG A 67 4.769 -14.535 13.631 1.00 0.00 ATOM 525 NE ARG A 67 5.415 -14.674 12.338 1.00 0.00 ATOM 526 CZ ARG A 67 5.989 -13.670 11.698 1.00 0.00 ATOM 527 NH1 ARG A 67 5.997 -12.459 12.240 1.00 0.00 ATOM 528 NH2 ARG A 67 6.532 -13.871 10.509 1.00 0.00 ATOM 529 N GLN A 68 0.096 -12.746 16.812 1.00 0.00 ATOM 530 CA GLN A 68 -0.523 -12.850 18.128 1.00 0.00 ATOM 531 C GLN A 68 -1.953 -13.346 17.908 1.00 0.00 ATOM 532 O GLN A 68 -2.752 -12.677 17.235 1.00 0.00 ATOM 533 CB GLN A 68 -0.576 -11.477 18.787 1.00 0.00 ATOM 534 CG GLN A 68 0.740 -10.734 18.790 1.00 0.00 ATOM 535 CD GLN A 68 0.580 -9.314 19.283 1.00 0.00 ATOM 536 OE1 GLN A 68 -0.143 -9.058 20.254 1.00 0.00 ATOM 537 NE2 GLN A 68 1.231 -8.375 18.605 1.00 0.00 ATOM 538 N ALA A 69 -2.282 -14.518 18.444 1.00 0.00 ATOM 539 CA ALA A 69 -3.633 -15.048 18.272 1.00 0.00 ATOM 540 C ALA A 69 -4.650 -14.208 19.042 1.00 0.00 ATOM 541 O ALA A 69 -5.828 -14.185 18.703 1.00 0.00 ATOM 542 CB ALA A 69 -3.694 -16.493 18.722 1.00 0.00 ATOM 543 N ASP A 70 -4.156 -13.463 20.027 1.00 0.00 ATOM 544 CA ASP A 70 -4.957 -12.602 20.899 1.00 0.00 ATOM 545 C ASP A 70 -5.062 -11.130 20.464 1.00 0.00 ATOM 546 O ASP A 70 -5.618 -10.317 21.204 1.00 0.00 ATOM 547 CB ASP A 70 -4.301 -12.595 22.278 1.00 0.00 ATOM 548 CG ASP A 70 -2.886 -11.993 22.239 1.00 0.00 ATOM 549 OD1 ASP A 70 -1.996 -12.610 21.596 1.00 0.00 ATOM 550 OD2 ASP A 70 -2.672 -10.889 22.809 1.00 0.00 ATOM 551 N PHE A 71 -4.484 -10.763 19.320 1.00 0.00 ATOM 552 CA PHE A 71 -4.517 -9.361 18.907 1.00 0.00 ATOM 553 C PHE A 71 -5.921 -8.788 18.767 1.00 0.00 ATOM 554 O PHE A 71 -6.803 -9.416 18.185 1.00 0.00 ATOM 555 CB PHE A 71 -3.692 -9.113 17.634 1.00 0.00 ATOM 556 CG PHE A 71 -3.423 -7.650 17.380 1.00 0.00 ATOM 557 CD1 PHE A 71 -2.673 -6.902 18.285 1.00 0.00 ATOM 558 CD2 PHE A 71 -3.980 -6.999 16.280 1.00 0.00 ATOM 559 CE1 PHE A 71 -2.489 -5.526 18.103 1.00 0.00 ATOM 560 CE2 PHE A 71 -3.803 -5.622 16.087 1.00 0.00 ATOM 561 CZ PHE A 71 -3.060 -4.886 17.000 1.00 0.00 ATOM 562 N MET A 72 -6.115 -7.596 19.332 1.00 0.00 ATOM 563 CA MET A 72 -7.402 -6.905 19.308 1.00 0.00 ATOM 564 C MET A 72 -7.413 -5.818 18.242 1.00 0.00 ATOM 565 O MET A 72 -6.597 -4.901 18.284 1.00 0.00 ATOM 566 CB MET A 72 -7.679 -6.246 20.670 1.00 0.00 ATOM 567 CG MET A 72 -7.254 -7.065 21.896 1.00 0.00 ATOM 568 SD MET A 72 -8.528 -8.140 22.645 1.00 0.00 ATOM 569 CE MET A 72 -8.880 -7.197 24.182 1.00 0.00 ATOM 570 N ALA A 73 -8.357 -5.901 17.309 1.00 0.00 ATOM 571 CA ALA A 73 -8.476 -4.908 16.247 1.00 0.00 ATOM 572 C ALA A 73 -9.953 -4.659 15.964 1.00 0.00 ATOM 573 O ALA A 73 -10.546 -5.334 15.137 1.00 0.00 ATOM 574 CB ALA A 73 -7.764 -5.397 14.986 1.00 0.00 ATOM 575 N SER A 74 -10.536 -3.677 16.646 1.00 0.00 ATOM 576 CA SER A 74 -11.952 -3.350 16.489 1.00 0.00 ATOM 577 C SER A 74 -12.408 -3.034 15.074 1.00 0.00 ATOM 578 O SER A 74 -11.904 -2.110 14.437 1.00 0.00 ATOM 579 CB SER A 74 -12.338 -2.195 17.415 1.00 0.00 ATOM 580 OG SER A 74 -12.160 -2.575 18.766 1.00 0.00 ATOM 581 N GLY A 75 -13.401 -3.781 14.605 1.00 0.00 ATOM 582 CA GLY A 75 -13.928 -3.561 13.270 1.00 0.00 ATOM 583 C GLY A 75 -13.099 -4.203 12.187 1.00 0.00 ATOM 584 O GLY A 75 -13.351 -3.987 11.009 1.00 0.00 ATOM 585 N ALA A 76 -12.100 -4.985 12.574 1.00 0.00 ATOM 586 CA ALA A 76 -11.255 -5.659 11.602 1.00 0.00 ATOM 587 C ALA A 76 -11.156 -7.136 11.898 1.00 0.00 ATOM 588 O ALA A 76 -11.456 -7.584 13.002 1.00 0.00 ATOM 589 CB ALA A 76 -9.874 -5.053 11.601 1.00 0.00 ATOM 590 N GLU A 77 -10.754 -7.895 10.889 1.00 0.00 ATOM 591 CA GLU A 77 -10.576 -9.328 11.025 1.00 0.00 ATOM 592 C GLU A 77 -9.089 -9.644 11.227 1.00 0.00 ATOM 593 O GLU A 77 -8.284 -9.400 10.337 1.00 0.00 ATOM 594 CB GLU A 77 -11.075 -10.031 9.761 1.00 0.00 ATOM 595 CG GLU A 77 -10.910 -11.532 9.809 1.00 0.00 ATOM 596 CD GLU A 77 -11.173 -12.201 8.489 1.00 0.00 ATOM 597 OE1 GLU A 77 -11.864 -13.240 8.480 1.00 0.00 ATOM 598 OE2 GLU A 77 -10.679 -11.698 7.459 1.00 0.00 ATOM 599 N VAL A 78 -8.727 -10.169 12.398 1.00 0.00 ATOM 600 CA VAL A 78 -7.336 -10.545 12.683 1.00 0.00 ATOM 601 C VAL A 78 -7.102 -11.997 12.277 1.00 0.00 ATOM 602 O VAL A 78 -7.868 -12.879 12.664 1.00 0.00 ATOM 603 CB VAL A 78 -6.974 -10.363 14.179 1.00 0.00 ATOM 604 CG1 VAL A 78 -5.564 -10.881 14.461 1.00 0.00 ATOM 605 CG2 VAL A 78 -7.055 -8.900 14.556 1.00 0.00 ATOM 606 N VAL A 79 -6.100 -12.217 11.423 1.00 0.00 ATOM 607 CA VAL A 79 -5.741 -13.550 10.951 1.00 0.00 ATOM 608 C VAL A 79 -4.259 -13.812 11.275 1.00 0.00 ATOM 609 O VAL A 79 -3.508 -12.875 11.535 1.00 0.00 ATOM 610 CB VAL A 79 -6.031 -13.718 9.430 1.00 0.00 ATOM 611 CG1 VAL A 79 -7.517 -13.536 9.164 1.00 0.00 ATOM 612 CG2 VAL A 79 -5.257 -12.709 8.616 1.00 0.00 ATOM 613 N GLY A 80 -3.850 -15.077 11.321 1.00 0.00 ATOM 614 CA GLY A 80 -2.464 -15.386 11.646 1.00 0.00 ATOM 615 C GLY A 80 -1.590 -15.801 10.478 1.00 0.00 ATOM 616 O GLY A 80 -0.383 -15.971 10.629 1.00 0.00 ATOM 617 N SER A 81 -2.181 -15.922 9.298 1.00 0.00 ATOM 618 CA SER A 81 -1.440 -16.337 8.120 1.00 0.00 ATOM 619 C SER A 81 -1.937 -15.606 6.890 1.00 0.00 ATOM 620 O SER A 81 -3.080 -15.138 6.856 1.00 0.00 ATOM 621 CB SER A 81 -1.613 -17.839 7.911 1.00 0.00 ATOM 622 OG SER A 81 -2.939 -18.151 7.497 1.00 0.00 ATOM 623 N LEU A 82 -1.098 -15.571 5.857 1.00 0.00 ATOM 624 CA LEU A 82 -1.438 -14.907 4.609 1.00 0.00 ATOM 625 C LEU A 82 -2.550 -15.645 3.878 1.00 0.00 ATOM 626 O LEU A 82 -3.398 -15.016 3.243 1.00 0.00 ATOM 627 CB LEU A 82 -0.217 -14.813 3.700 1.00 0.00 ATOM 628 CG LEU A 82 0.143 -13.496 3.001 1.00 0.00 ATOM 629 CD1 LEU A 82 0.510 -13.805 1.558 1.00 0.00 ATOM 630 CD2 LEU A 82 -0.985 -12.488 3.054 1.00 0.00 ATOM 631 N GLU A 83 -2.546 -16.973 3.965 1.00 0.00 ATOM 632 CA GLU A 83 -3.569 -17.786 3.304 1.00 0.00 ATOM 633 C GLU A 83 -4.973 -17.475 3.824 1.00 0.00 ATOM 634 O GLU A 83 -5.942 -17.546 3.077 1.00 0.00 ATOM 635 CB GLU A 83 -3.271 -19.283 3.458 1.00 0.00 ATOM 636 CG GLU A 83 -2.856 -19.700 4.872 1.00 0.00 ATOM 637 CD GLU A 83 -3.276 -21.131 5.243 1.00 0.00 ATOM 638 OE1 GLU A 83 -4.134 -21.708 4.526 1.00 0.00 ATOM 639 OE2 GLU A 83 -2.758 -21.669 6.259 1.00 0.00 ATOM 640 N GLU A 84 -5.075 -17.156 5.112 1.00 0.00 ATOM 641 CA GLU A 84 -6.358 -16.816 5.729 1.00 0.00 ATOM 642 C GLU A 84 -6.797 -15.392 5.350 1.00 0.00 ATOM 643 O GLU A 84 -7.980 -15.068 5.396 1.00 0.00 ATOM 644 CB GLU A 84 -6.267 -16.913 7.254 1.00 0.00 ATOM 645 CG GLU A 84 -6.098 -18.310 7.830 1.00 0.00 ATOM 646 CD GLU A 84 -5.602 -18.269 9.265 1.00 0.00 ATOM 647 OE1 GLU A 84 -6.149 -17.503 10.092 1.00 0.00 ATOM 648 OE2 GLU A 84 -4.637 -18.991 9.576 1.00 0.00 ATOM 649 N ALA A 85 -5.839 -14.545 4.991 1.00 0.00 ATOM 650 CA ALA A 85 -6.139 -13.168 4.618 1.00 0.00 ATOM 651 C ALA A 85 -6.518 -12.969 3.149 1.00 0.00 ATOM 652 O ALA A 85 -7.303 -12.087 2.829 1.00 0.00 ATOM 653 CB ALA A 85 -4.956 -12.282 4.972 1.00 0.00 ATOM 654 N LEU A 86 -5.994 -13.817 2.266 1.00 0.00 ATOM 655 CA LEU A 86 -6.232 -13.702 0.823 1.00 0.00 ATOM 656 C LEU A 86 -7.409 -14.446 0.199 1.00 0.00 ATOM 657 O LEU A 86 -7.500 -14.528 -1.027 1.00 0.00 ATOM 658 CB LEU A 86 -4.958 -14.093 0.079 1.00 0.00 ATOM 659 CG LEU A 86 -3.711 -13.324 0.510 1.00 0.00 ATOM 660 CD1 LEU A 86 -2.489 -13.923 -0.155 1.00 0.00 ATOM 661 CD2 LEU A 86 -3.849 -11.841 0.181 1.00 0.00 ATOM 662 N THR A 87 -8.341 -14.924 1.013 1.00 0.00 ATOM 663 CA THR A 87 -9.482 -15.685 0.496 1.00 0.00 ATOM 664 C THR A 87 -10.458 -14.963 -0.455 1.00 0.00 ATOM 665 O THR A 87 -11.192 -15.621 -1.196 1.00 0.00 ATOM 666 CB THR A 87 -10.261 -16.379 1.643 1.00 0.00 ATOM 667 OG1 THR A 87 -10.833 -15.388 2.498 1.00 0.00 ATOM 668 CG2 THR A 87 -9.328 -17.250 2.473 1.00 0.00 ATOM 669 N SER A 88 -10.469 -13.629 -0.460 1.00 0.00 ATOM 670 CA SER A 88 -11.369 -12.890 -1.358 1.00 0.00 ATOM 671 C SER A 88 -10.829 -12.829 -2.780 1.00 0.00 ATOM 672 O SER A 88 -9.619 -12.770 -2.989 1.00 0.00 ATOM 673 CB SER A 88 -11.582 -11.449 -0.879 1.00 0.00 ATOM 674 OG SER A 88 -12.191 -11.393 0.399 1.00 0.00 ATOM 675 N PRO A 89 -11.727 -12.838 -3.776 1.00 0.00 ATOM 676 CA PRO A 89 -11.437 -12.774 -5.217 1.00 0.00 ATOM 677 C PRO A 89 -10.666 -11.491 -5.598 1.00 0.00 ATOM 678 O PRO A 89 -9.812 -11.506 -6.489 1.00 0.00 ATOM 679 CB PRO A 89 -12.835 -12.798 -5.841 1.00 0.00 ATOM 680 CG PRO A 89 -13.581 -13.678 -4.903 1.00 0.00 ATOM 681 CD PRO A 89 -13.154 -13.133 -3.556 1.00 0.00 ATOM 682 N GLU A 90 -11.030 -10.367 -4.991 1.00 0.00 ATOM 683 CA GLU A 90 -10.314 -9.133 -5.244 1.00 0.00 ATOM 684 C GLU A 90 -9.851 -8.588 -3.895 1.00 0.00 ATOM 685 O GLU A 90 -10.646 -8.095 -3.098 1.00 0.00 ATOM 686 CB GLU A 90 -11.158 -8.111 -6.018 1.00 0.00 ATOM 687 CG GLU A 90 -10.470 -6.737 -6.112 1.00 0.00 ATOM 688 CD GLU A 90 -10.793 -5.940 -7.369 1.00 0.00 ATOM 689 OE1 GLU A 90 -10.209 -4.841 -7.532 1.00 0.00 ATOM 690 OE2 GLU A 90 -11.613 -6.404 -8.191 1.00 0.00 ATOM 691 N THR A 91 -8.562 -8.749 -3.620 1.00 0.00 ATOM 692 CA THR A 91 -7.987 -8.290 -2.363 1.00 0.00 ATOM 693 C THR A 91 -6.901 -7.250 -2.603 1.00 0.00 ATOM 694 O THR A 91 -6.103 -7.375 -3.525 1.00 0.00 ATOM 695 CB THR A 91 -7.353 -9.470 -1.583 1.00 0.00 ATOM 696 OG1 THR A 91 -8.350 -10.453 -1.285 1.00 0.00 ATOM 697 CG2 THR A 91 -6.709 -8.984 -0.290 1.00 0.00 ATOM 698 N TRP A 92 -6.887 -6.203 -1.798 1.00 0.00 ATOM 699 CA TRP A 92 -5.841 -5.209 -1.935 1.00 0.00 ATOM 700 C TRP A 92 -4.993 -5.189 -0.688 1.00 0.00 ATOM 701 O TRP A 92 -5.511 -5.080 0.428 1.00 0.00 ATOM 702 CB TRP A 92 -6.406 -3.819 -2.239 1.00 0.00 ATOM 703 CG TRP A 92 -6.840 -3.700 -3.688 1.00 0.00 ATOM 704 CD1 TRP A 92 -8.097 -3.925 -4.200 1.00 0.00 ATOM 705 CD2 TRP A 92 -5.997 -3.415 -4.813 1.00 0.00 ATOM 706 NE1 TRP A 92 -8.075 -3.807 -5.572 1.00 0.00 ATOM 707 CE2 TRP A 92 -6.801 -3.494 -5.971 1.00 0.00 ATOM 708 CE3 TRP A 92 -4.640 -3.109 -4.952 1.00 0.00 ATOM 709 CZ2 TRP A 92 -6.288 -3.275 -7.249 1.00 0.00 ATOM 710 CZ3 TRP A 92 -4.131 -2.895 -6.222 1.00 0.00 ATOM 711 CH2 TRP A 92 -4.953 -2.980 -7.353 1.00 0.00 ATOM 712 N VAL A 93 -3.696 -5.403 -0.880 1.00 0.00 ATOM 713 CA VAL A 93 -2.737 -5.390 0.215 1.00 0.00 ATOM 714 C VAL A 93 -2.320 -3.918 0.328 1.00 0.00 ATOM 715 O VAL A 93 -1.733 -3.341 -0.589 1.00 0.00 ATOM 716 CB VAL A 93 -1.543 -6.356 -0.088 1.00 0.00 ATOM 717 CG1 VAL A 93 -0.453 -6.231 0.981 1.00 0.00 ATOM 718 CG2 VAL A 93 -2.067 -7.819 -0.149 1.00 0.00 ATOM 719 N ILE A 94 -2.705 -3.297 1.434 1.00 0.00 ATOM 720 CA ILE A 94 -2.450 -1.881 1.632 1.00 0.00 ATOM 721 C ILE A 94 -1.280 -1.565 2.511 1.00 0.00 ATOM 722 O ILE A 94 -1.079 -0.421 2.920 1.00 0.00 ATOM 723 CB ILE A 94 -3.680 -1.159 2.190 1.00 0.00 ATOM 724 CG1 ILE A 94 -3.939 -1.571 3.636 1.00 0.00 ATOM 725 CG2 ILE A 94 -4.881 -1.488 1.344 1.00 0.00 ATOM 726 CD1 ILE A 94 -4.702 -0.520 4.417 1.00 0.00 ATOM 727 N GLY A 95 -0.506 -2.567 2.848 1.00 0.00 ATOM 728 CA GLY A 95 0.590 -2.201 3.664 1.00 0.00 ATOM 729 C GLY A 95 1.327 -3.110 4.559 1.00 0.00 ATOM 730 O GLY A 95 0.788 -3.999 5.215 1.00 0.00 ATOM 731 N GLY A 96 2.465 -2.477 4.818 1.00 0.00 ATOM 732 CA GLY A 96 3.544 -2.934 5.611 1.00 0.00 ATOM 733 C GLY A 96 4.637 -3.260 4.622 1.00 0.00 ATOM 734 O GLY A 96 4.343 -3.849 3.585 1.00 0.00 ATOM 735 N GLY A 97 5.862 -2.815 4.875 1.00 0.00 ATOM 736 CA GLY A 97 6.939 -3.206 3.996 1.00 0.00 ATOM 737 C GLY A 97 7.032 -4.728 4.096 1.00 0.00 ATOM 738 O GLY A 97 7.251 -5.417 3.097 1.00 0.00 ATOM 739 N GLN A 98 6.803 -5.276 5.286 1.00 0.00 ATOM 740 CA GLN A 98 6.843 -6.731 5.475 1.00 0.00 ATOM 741 C GLN A 98 5.736 -7.460 4.721 1.00 0.00 ATOM 742 O GLN A 98 5.980 -8.455 4.028 1.00 0.00 ATOM 743 CB GLN A 98 6.720 -7.107 6.947 1.00 0.00 ATOM 744 CG GLN A 98 7.919 -6.744 7.793 1.00 0.00 ATOM 745 CD GLN A 98 7.688 -7.009 9.261 1.00 0.00 ATOM 746 OE1 GLN A 98 7.983 -6.160 10.118 1.00 0.00 ATOM 747 NE2 GLN A 98 7.154 -8.189 9.569 1.00 0.00 ATOM 748 N VAL A 99 4.514 -6.979 4.871 1.00 0.00 ATOM 749 CA VAL A 99 3.395 -7.616 4.214 1.00 0.00 ATOM 750 C VAL A 99 3.432 -7.530 2.696 1.00 0.00 ATOM 751 O VAL A 99 2.984 -8.459 2.027 1.00 0.00 ATOM 752 CB VAL A 99 2.065 -7.123 4.799 1.00 0.00 ATOM 753 CG1 VAL A 99 0.892 -7.760 4.092 1.00 0.00 ATOM 754 CG2 VAL A 99 2.009 -7.497 6.266 1.00 0.00 ATOM 755 N TYR A 100 3.999 -6.461 2.141 1.00 0.00 ATOM 756 CA TYR A 100 4.101 -6.343 0.682 1.00 0.00 ATOM 757 C TYR A 100 5.042 -7.428 0.165 1.00 0.00 ATOM 758 O TYR A 100 4.808 -8.021 -0.890 1.00 0.00 ATOM 759 CB TYR A 100 4.669 -4.981 0.248 1.00 0.00 ATOM 760 CG TYR A 100 3.735 -3.785 0.367 1.00 0.00 ATOM 761 CD1 TYR A 100 4.187 -2.597 0.943 1.00 0.00 ATOM 762 CD2 TYR A 100 2.416 -3.836 -0.096 1.00 0.00 ATOM 763 CE1 TYR A 100 3.355 -1.488 1.058 1.00 0.00 ATOM 764 CE2 TYR A 100 1.576 -2.731 0.015 1.00 0.00 ATOM 765 CZ TYR A 100 2.060 -1.555 0.596 1.00 0.00 ATOM 766 OH TYR A 100 1.275 -0.423 0.714 1.00 0.00 ATOM 767 N ALA A 101 6.131 -7.657 0.895 1.00 0.00 ATOM 768 CA ALA A 101 7.120 -8.670 0.520 1.00 0.00 ATOM 769 C ALA A 101 6.498 -10.049 0.572 1.00 0.00 ATOM 770 O ALA A 101 6.722 -10.887 -0.299 1.00 0.00 ATOM 771 CB ALA A 101 8.287 -8.616 1.471 1.00 0.00 ATOM 772 N LEU A 102 5.715 -10.268 1.617 1.00 0.00 ATOM 773 CA LEU A 102 5.028 -11.521 1.854 1.00 0.00 ATOM 774 C LEU A 102 3.987 -11.820 0.768 1.00 0.00 ATOM 775 O LEU A 102 3.904 -12.945 0.259 1.00 0.00 ATOM 776 CB LEU A 102 4.338 -11.419 3.215 1.00 0.00 ATOM 777 CG LEU A 102 3.989 -12.625 4.091 1.00 0.00 ATOM 778 CD1 LEU A 102 5.269 -13.374 4.514 1.00 0.00 ATOM 779 CD2 LEU A 102 3.237 -12.115 5.335 1.00 0.00 ATOM 780 N ALA A 103 3.219 -10.800 0.390 1.00 0.00 ATOM 781 CA ALA A 103 2.151 -10.947 -0.595 1.00 0.00 ATOM 782 C ALA A 103 2.513 -10.774 -2.066 1.00 0.00 ATOM 783 O ALA A 103 1.741 -11.163 -2.933 1.00 0.00 ATOM 784 CB ALA A 103 1.011 -10.008 -0.236 1.00 0.00 ATOM 785 N LEU A 104 3.670 -10.189 -2.357 1.00 0.00 ATOM 786 CA LEU A 104 4.079 -9.957 -3.740 1.00 0.00 ATOM 787 C LEU A 104 3.924 -11.172 -4.652 1.00 0.00 ATOM 788 O LEU A 104 3.342 -11.054 -5.736 1.00 0.00 ATOM 789 CB LEU A 104 5.526 -9.475 -3.793 1.00 0.00 ATOM 790 CG LEU A 104 6.030 -8.441 -4.803 1.00 0.00 ATOM 791 CD1 LEU A 104 7.479 -8.762 -5.100 1.00 0.00 ATOM 792 CD2 LEU A 104 5.251 -8.430 -6.068 1.00 0.00 ATOM 793 N PRO A 105 4.418 -12.364 -4.229 1.00 0.00 ATOM 794 CA PRO A 105 4.253 -13.497 -5.148 1.00 0.00 ATOM 795 C PRO A 105 2.818 -13.896 -5.522 1.00 0.00 ATOM 796 O PRO A 105 2.592 -14.447 -6.584 1.00 0.00 ATOM 797 CB PRO A 105 5.071 -14.619 -4.491 1.00 0.00 ATOM 798 CG PRO A 105 5.286 -14.202 -3.104 1.00 0.00 ATOM 799 CD PRO A 105 5.311 -12.709 -3.106 1.00 0.00 ATOM 800 N TYR A 106 1.846 -13.533 -4.692 1.00 0.00 ATOM 801 CA TYR A 106 0.444 -13.847 -4.938 1.00 0.00 ATOM 802 C TYR A 106 -0.211 -12.772 -5.786 1.00 0.00 ATOM 803 O TYR A 106 -1.327 -12.951 -6.260 1.00 0.00 ATOM 804 CB TYR A 106 -0.313 -13.921 -3.609 1.00 0.00 ATOM 805 CG TYR A 106 0.192 -14.985 -2.686 1.00 0.00 ATOM 806 CD1 TYR A 106 1.329 -14.779 -1.894 1.00 0.00 ATOM 807 CD2 TYR A 106 -0.403 -16.245 -2.674 1.00 0.00 ATOM 808 CE1 TYR A 106 1.870 -15.828 -1.121 1.00 0.00 ATOM 809 CE2 TYR A 106 0.128 -17.292 -1.912 1.00 0.00 ATOM 810 CZ TYR A 106 1.263 -17.084 -1.149 1.00 0.00 ATOM 811 OH TYR A 106 1.816 -18.160 -0.486 1.00 0.00 ATOM 812 N ALA A 107 0.501 -11.667 -5.984 1.00 0.00 ATOM 813 CA ALA A 107 -0.020 -10.522 -6.724 1.00 0.00 ATOM 814 C ALA A 107 0.081 -10.514 -8.251 1.00 0.00 ATOM 815 O ALA A 107 1.050 -10.992 -8.828 1.00 0.00 ATOM 816 CB ALA A 107 0.604 -9.242 -6.167 1.00 0.00 ATOM 817 N THR A 108 -0.934 -9.936 -8.886 1.00 0.00 ATOM 818 CA THR A 108 -0.972 -9.789 -10.332 1.00 0.00 ATOM 819 C THR A 108 -1.245 -8.342 -10.703 1.00 0.00 ATOM 820 O THR A 108 -1.366 -8.020 -11.876 1.00 0.00 ATOM 821 CB THR A 108 -2.020 -10.685 -10.989 1.00 0.00 ATOM 822 OG1 THR A 108 -3.235 -10.632 -10.243 1.00 0.00 ATOM 823 CG2 THR A 108 -1.516 -12.129 -11.047 1.00 0.00 ATOM 824 N ARG A 109 -1.342 -7.471 -9.701 1.00 0.00 ATOM 825 CA ARG A 109 -1.564 -6.034 -9.912 1.00 0.00 ATOM 826 C ARG A 109 -0.864 -5.196 -8.845 1.00 0.00 ATOM 827 O ARG A 109 -0.805 -5.584 -7.677 1.00 0.00 ATOM 828 CB ARG A 109 -3.063 -5.674 -9.881 1.00 0.00 ATOM 829 CG ARG A 109 -3.816 -5.918 -11.163 1.00 0.00 ATOM 830 CD ARG A 109 -5.182 -5.266 -11.109 1.00 0.00 ATOM 831 NE ARG A 109 -5.137 -3.799 -11.111 1.00 0.00 ATOM 832 CZ ARG A 109 -6.198 -3.011 -10.913 1.00 0.00 ATOM 833 NH1 ARG A 109 -7.406 -3.532 -10.703 1.00 0.00 ATOM 834 NH2 ARG A 109 -6.042 -1.698 -10.848 1.00 0.00 ATOM 835 N CYS A 110 -0.318 -4.054 -9.260 1.00 0.00 ATOM 836 CA CYS A 110 0.324 -3.116 -8.344 1.00 0.00 ATOM 837 C CYS A 110 -0.106 -1.728 -8.763 1.00 0.00 ATOM 838 O CYS A 110 -0.067 -1.409 -9.940 1.00 0.00 ATOM 839 CB CYS A 110 1.845 -3.188 -8.421 1.00 0.00 ATOM 840 SG CYS A 110 2.590 -4.558 -7.552 1.00 0.00 ATOM 841 N GLU A 111 -0.565 -0.926 -7.810 1.00 0.00 ATOM 842 CA GLU A 111 -0.968 0.459 -8.070 1.00 0.00 ATOM 843 C GLU A 111 -0.006 1.265 -7.226 1.00 0.00 ATOM 844 O GLU A 111 -0.045 1.236 -5.995 1.00 0.00 ATOM 845 CB GLU A 111 -2.420 0.707 -7.663 1.00 0.00 ATOM 846 CG GLU A 111 -3.431 0.052 -8.596 1.00 0.00 ATOM 847 CD GLU A 111 -3.371 0.585 -10.039 1.00 0.00 ATOM 848 OE1 GLU A 111 -2.892 1.719 -10.252 1.00 0.00 ATOM 849 OE2 GLU A 111 -3.815 -0.132 -10.960 1.00 0.00 ATOM 850 N VAL A 112 0.886 1.964 -7.910 1.00 0.00 ATOM 851 CA VAL A 112 1.950 2.703 -7.257 1.00 0.00 ATOM 852 C VAL A 112 1.936 4.199 -7.480 1.00 0.00 ATOM 853 O VAL A 112 1.686 4.675 -8.588 1.00 0.00 ATOM 854 CB VAL A 112 3.320 2.173 -7.757 1.00 0.00 ATOM 855 CG1 VAL A 112 4.485 2.886 -7.050 1.00 0.00 ATOM 856 CG2 VAL A 112 3.397 0.645 -7.589 1.00 0.00 ATOM 857 N THR A 113 2.250 4.933 -6.421 1.00 0.00 ATOM 858 CA THR A 113 2.326 6.382 -6.494 1.00 0.00 ATOM 859 C THR A 113 3.775 6.733 -6.215 1.00 0.00 ATOM 860 O THR A 113 4.294 6.386 -5.157 1.00 0.00 ATOM 861 CB THR A 113 1.450 7.040 -5.415 1.00 0.00 ATOM 862 OG1 THR A 113 0.076 6.739 -5.670 1.00 0.00 ATOM 863 CG2 THR A 113 1.653 8.558 -5.396 1.00 0.00 ATOM 864 N GLU A 114 4.460 7.349 -7.178 1.00 0.00 ATOM 865 CA GLU A 114 5.842 7.752 -6.930 1.00 0.00 ATOM 866 C GLU A 114 5.846 9.221 -6.507 1.00 0.00 ATOM 867 O GLU A 114 5.254 10.064 -7.189 1.00 0.00 ATOM 868 CB GLU A 114 6.712 7.585 -8.166 1.00 0.00 ATOM 869 CG GLU A 114 8.168 7.951 -7.888 1.00 0.00 ATOM 870 CD GLU A 114 9.042 8.012 -9.134 1.00 0.00 ATOM 871 OE1 GLU A 114 8.547 7.750 -10.250 1.00 0.00 ATOM 872 OE2 GLU A 114 10.242 8.332 -8.995 1.00 0.00 ATOM 873 N VAL A 115 6.474 9.505 -5.365 1.00 0.00 ATOM 874 CA VAL A 115 6.584 10.855 -4.828 1.00 0.00 ATOM 875 C VAL A 115 8.000 11.383 -5.091 1.00 0.00 ATOM 876 O VAL A 115 8.995 10.803 -4.650 1.00 0.00 ATOM 877 CB VAL A 115 6.260 10.879 -3.330 1.00 0.00 ATOM 878 CG1 VAL A 115 6.280 12.310 -2.791 1.00 0.00 ATOM 879 CG2 VAL A 115 4.902 10.273 -3.105 1.00 0.00 ATOM 880 N ASP A 116 8.076 12.467 -5.858 1.00 0.00 ATOM 881 CA ASP A 116 9.348 13.079 -6.221 1.00 0.00 ATOM 882 C ASP A 116 9.914 13.906 -5.065 1.00 0.00 ATOM 883 O ASP A 116 9.948 15.137 -5.109 1.00 0.00 ATOM 884 CB ASP A 116 9.147 13.935 -7.472 1.00 0.00 ATOM 885 CG ASP A 116 10.450 14.425 -8.082 1.00 0.00 ATOM 886 OD1 ASP A 116 11.541 14.097 -7.581 1.00 0.00 ATOM 887 OD2 ASP A 116 10.378 15.162 -9.082 1.00 0.00 ATOM 888 N ILE A 117 10.376 13.207 -4.034 1.00 0.00 ATOM 889 CA ILE A 117 10.947 13.838 -2.850 1.00 0.00 ATOM 890 C ILE A 117 12.326 13.221 -2.584 1.00 0.00 ATOM 891 O ILE A 117 12.537 12.035 -2.846 1.00 0.00 ATOM 892 CB ILE A 117 10.022 13.615 -1.631 1.00 0.00 ATOM 893 CG1 ILE A 117 10.591 14.288 -0.386 1.00 0.00 ATOM 894 CG2 ILE A 117 9.804 12.105 -1.380 1.00 0.00 ATOM 895 CD1 ILE A 117 9.731 14.076 0.851 1.00 0.00 ATOM 896 N GLY A 118 13.274 14.044 -2.142 1.00 0.00 ATOM 897 CA GLY A 118 14.614 13.557 -1.840 1.00 0.00 ATOM 898 C GLY A 118 14.573 12.932 -0.468 1.00 0.00 ATOM 899 O GLY A 118 14.466 13.631 0.533 1.00 0.00 ATOM 900 N LEU A 119 14.680 11.611 -0.414 1.00 0.00 ATOM 901 CA LEU A 119 14.581 10.903 0.856 1.00 0.00 ATOM 902 C LEU A 119 15.355 9.590 0.793 1.00 0.00 ATOM 903 O LEU A 119 14.763 8.521 0.684 1.00 0.00 ATOM 904 CB LEU A 119 13.096 10.615 1.122 1.00 0.00 ATOM 905 CG LEU A 119 12.531 10.508 2.535 1.00 0.00 ATOM 906 CD1 LEU A 119 12.711 11.837 3.243 1.00 0.00 ATOM 907 CD2 LEU A 119 11.053 10.139 2.455 1.00 0.00 ATOM 908 N PRO A 120 16.693 9.657 0.840 1.00 0.00 ATOM 909 CA PRO A 120 17.548 8.461 0.788 1.00 0.00 ATOM 910 C PRO A 120 17.163 7.443 1.864 1.00 0.00 ATOM 911 O PRO A 120 16.686 7.823 2.940 1.00 0.00 ATOM 912 CB PRO A 120 18.941 9.040 1.040 1.00 0.00 ATOM 913 CG PRO A 120 18.851 10.414 0.431 1.00 0.00 ATOM 914 CD PRO A 120 17.504 10.885 0.924 1.00 0.00 ATOM 915 N ARG A 121 17.358 6.157 1.577 1.00 0.00 ATOM 916 CA ARG A 121 17.019 5.108 2.537 1.00 0.00 ATOM 917 C ARG A 121 17.898 5.226 3.759 1.00 0.00 ATOM 918 O ARG A 121 19.066 5.586 3.661 1.00 0.00 ATOM 919 CB ARG A 121 17.255 3.702 1.973 1.00 0.00 ATOM 920 CG ARG A 121 16.642 3.391 0.625 1.00 0.00 ATOM 921 CD ARG A 121 17.323 2.150 0.014 1.00 0.00 ATOM 922 NE ARG A 121 17.316 2.135 -1.453 1.00 0.00 ATOM 923 CZ ARG A 121 17.717 3.145 -2.236 1.00 0.00 ATOM 924 NH1 ARG A 121 18.167 4.289 -1.717 1.00 0.00 ATOM 925 NH2 ARG A 121 17.674 3.011 -3.558 1.00 0.00 ATOM 926 N GLU A 122 17.322 4.896 4.904 1.00 0.00 ATOM 927 CA GLU A 122 18.017 4.887 6.173 1.00 0.00 ATOM 928 C GLU A 122 17.719 3.524 6.771 1.00 0.00 ATOM 929 O GLU A 122 16.665 2.952 6.515 1.00 0.00 ATOM 930 CB GLU A 122 17.499 5.996 7.080 1.00 0.00 ATOM 931 CG GLU A 122 18.024 7.358 6.694 1.00 0.00 ATOM 932 CD GLU A 122 17.303 8.496 7.380 1.00 0.00 ATOM 933 OE1 GLU A 122 17.475 9.642 6.927 1.00 0.00 ATOM 934 OE2 GLU A 122 16.552 8.264 8.350 1.00 0.00 ATOM 935 N ALA A 123 18.659 2.988 7.539 1.00 0.00 ATOM 936 CA ALA A 123 18.494 1.682 8.160 1.00 0.00 ATOM 937 C ALA A 123 17.209 1.614 8.962 1.00 0.00 ATOM 938 O ALA A 123 16.914 2.516 9.738 1.00 0.00 ATOM 939 CB ALA A 123 19.660 1.393 9.060 1.00 0.00 ATOM 940 N GLY A 124 16.431 0.561 8.756 1.00 0.00 ATOM 941 CA GLY A 124 15.198 0.425 9.505 1.00 0.00 ATOM 942 C GLY A 124 13.936 0.962 8.866 1.00 0.00 ATOM 943 O GLY A 124 12.855 0.763 9.414 1.00 0.00 ATOM 944 N ASP A 125 14.056 1.632 7.721 1.00 0.00 ATOM 945 CA ASP A 125 12.905 2.200 7.006 1.00 0.00 ATOM 946 C ASP A 125 12.052 1.107 6.406 1.00 0.00 ATOM 947 O ASP A 125 12.560 0.040 6.085 1.00 0.00 ATOM 948 CB ASP A 125 13.369 3.032 5.802 1.00 0.00 ATOM 949 CG ASP A 125 13.855 4.413 6.174 1.00 0.00 ATOM 950 OD1 ASP A 125 13.781 4.828 7.345 1.00 0.00 ATOM 951 OD2 ASP A 125 14.319 5.093 5.250 1.00 0.00 ATOM 952 N ALA A 126 10.768 1.386 6.212 1.00 0.00 ATOM 953 CA ALA A 126 9.892 0.429 5.548 1.00 0.00 ATOM 954 C ALA A 126 10.125 0.742 4.061 1.00 0.00 ATOM 955 O ALA A 126 10.179 1.916 3.663 1.00 0.00 ATOM 956 CB ALA A 126 8.433 0.666 5.936 1.00 0.00 ATOM 957 N LEU A 127 10.343 -0.297 3.260 1.00 0.00 ATOM 958 CA LEU A 127 10.599 -0.117 1.842 1.00 0.00 ATOM 959 C LEU A 127 9.588 -0.810 0.976 1.00 0.00 ATOM 960 O LEU A 127 9.004 -1.815 1.354 1.00 0.00 ATOM 961 CB LEU A 127 11.983 -0.653 1.477 1.00 0.00 ATOM 962 CG LEU A 127 13.172 -0.072 2.242 1.00 0.00 ATOM 963 CD1 LEU A 127 14.415 -0.859 1.917 1.00 0.00 ATOM 964 CD2 LEU A 127 13.344 1.382 1.878 1.00 0.00 ATOM 965 N ALA A 128 9.429 -0.283 -0.226 1.00 0.00 ATOM 966 CA ALA A 128 8.505 -0.830 -1.206 1.00 0.00 ATOM 967 C ALA A 128 9.127 -2.073 -1.844 1.00 0.00 ATOM 968 O ALA A 128 10.356 -2.229 -1.851 1.00 0.00 ATOM 969 CB ALA A 128 8.241 0.212 -2.268 1.00 0.00 ATOM 970 N PRO A 129 8.292 -3.006 -2.333 1.00 0.00 ATOM 971 CA PRO A 129 8.858 -4.202 -2.959 1.00 0.00 ATOM 972 C PRO A 129 9.407 -3.832 -4.339 1.00 0.00 ATOM 973 O PRO A 129 8.961 -2.857 -4.947 1.00 0.00 ATOM 974 CB PRO A 129 7.649 -5.130 -3.055 1.00 0.00 ATOM 975 CG PRO A 129 6.516 -4.183 -3.247 1.00 0.00 ATOM 976 CD PRO A 129 6.823 -3.096 -2.252 1.00 0.00 ATOM 977 N VAL A 130 10.433 -4.552 -4.795 1.00 0.00 ATOM 978 CA VAL A 130 11.017 -4.279 -6.108 1.00 0.00 ATOM 979 C VAL A 130 10.292 -5.126 -7.140 1.00 0.00 ATOM 980 O VAL A 130 10.098 -6.319 -6.932 1.00 0.00 ATOM 981 CB VAL A 130 12.525 -4.613 -6.169 1.00 0.00 ATOM 982 CG1 VAL A 130 13.093 -4.182 -7.525 1.00 0.00 ATOM 983 CG2 VAL A 130 13.273 -3.896 -5.048 1.00 0.00 ATOM 984 N LEU A 131 9.849 -4.489 -8.219 1.00 0.00 ATOM 985 CA LEU A 131 9.134 -5.182 -9.277 1.00 0.00 ATOM 986 C LEU A 131 10.103 -5.605 -10.373 1.00 0.00 ATOM 987 O LEU A 131 10.759 -4.772 -11.000 1.00 0.00 ATOM 988 CB LEU A 131 8.019 -4.297 -9.842 1.00 0.00 ATOM 989 CG LEU A 131 7.028 -3.761 -8.800 1.00 0.00 ATOM 990 CD1 LEU A 131 5.901 -3.052 -9.496 1.00 0.00 ATOM 991 CD2 LEU A 131 6.488 -4.882 -7.946 1.00 0.00 ATOM 992 N ASP A 132 10.242 -6.914 -10.544 1.00 0.00 ATOM 993 CA ASP A 132 11.139 -7.447 -11.556 1.00 0.00 ATOM 994 C ASP A 132 10.514 -7.379 -12.950 1.00 0.00 ATOM 995 O ASP A 132 9.450 -6.783 -13.132 1.00 0.00 ATOM 996 CB ASP A 132 11.580 -8.867 -11.194 1.00 0.00 ATOM 997 CG ASP A 132 10.433 -9.865 -11.181 1.00 0.00 ATOM 998 OD1 ASP A 132 10.629 -10.970 -10.635 1.00 0.00 ATOM 999 OD2 ASP A 132 9.343 -9.576 -11.717 1.00 0.00 ATOM 1000 N GLU A 133 11.137 -8.042 -13.920 1.00 0.00 ATOM 1001 CA GLU A 133 10.622 -7.982 -15.272 1.00 0.00 ATOM 1002 C GLU A 133 9.421 -8.837 -15.618 1.00 0.00 ATOM 1003 O GLU A 133 9.065 -8.926 -16.783 1.00 0.00 ATOM 1004 CB GLU A 133 11.740 -8.134 -16.304 1.00 0.00 ATOM 1005 CG GLU A 133 11.960 -6.869 -17.171 1.00 0.00 ATOM 1006 CD GLU A 133 10.889 -6.672 -18.276 1.00 0.00 ATOM 1007 OE1 GLU A 133 9.817 -6.067 -17.993 1.00 0.00 ATOM 1008 OE2 GLU A 133 11.128 -7.114 -19.436 1.00 0.00 ATOM 1009 N THR A 134 8.775 -9.446 -14.623 1.00 0.00 ATOM 1010 CA THR A 134 7.565 -10.228 -14.898 1.00 0.00 ATOM 1011 C THR A 134 6.405 -9.236 -15.006 1.00 0.00 ATOM 1012 O THR A 134 5.350 -9.541 -15.569 1.00 0.00 ATOM 1013 CB THR A 134 7.241 -11.272 -13.784 1.00 0.00 ATOM 1014 OG1 THR A 134 7.174 -10.640 -12.496 1.00 0.00 ATOM 1015 CG2 THR A 134 8.288 -12.354 -13.756 1.00 0.00 ATOM 1016 N TRP A 135 6.651 -8.020 -14.516 1.00 0.00 ATOM 1017 CA TRP A 135 5.669 -6.943 -14.495 1.00 0.00 ATOM 1018 C TRP A 135 5.685 -6.022 -15.704 1.00 0.00 ATOM 1019 O TRP A 135 6.748 -5.619 -16.170 1.00 0.00 ATOM 1020 CB TRP A 135 5.891 -6.094 -13.247 1.00 0.00 ATOM 1021 CG TRP A 135 5.656 -6.832 -11.967 1.00 0.00 ATOM 1022 CD1 TRP A 135 6.596 -7.416 -11.167 1.00 0.00 ATOM 1023 CD2 TRP A 135 4.400 -7.011 -11.307 1.00 0.00 ATOM 1024 NE1 TRP A 135 6.003 -7.938 -10.044 1.00 0.00 ATOM 1025 CE2 TRP A 135 4.654 -7.701 -10.105 1.00 0.00 ATOM 1026 CE3 TRP A 135 3.080 -6.646 -11.611 1.00 0.00 ATOM 1027 CZ2 TRP A 135 3.639 -8.033 -9.205 1.00 0.00 ATOM 1028 CZ3 TRP A 135 2.074 -6.976 -10.716 1.00 0.00 ATOM 1029 CH2 TRP A 135 2.359 -7.663 -9.528 1.00 0.00 ATOM 1030 N ARG A 136 4.497 -5.675 -16.188 1.00 0.00 ATOM 1031 CA ARG A 136 4.332 -4.750 -17.309 1.00 0.00 ATOM 1032 C ARG A 136 3.676 -3.501 -16.722 1.00 0.00 ATOM 1033 O ARG A 136 2.680 -3.609 -16.004 1.00 0.00 ATOM 1034 CB ARG A 136 3.393 -5.332 -18.371 1.00 0.00 ATOM 1035 CG ARG A 136 3.955 -6.493 -19.180 1.00 0.00 ATOM 1036 CD ARG A 136 3.807 -7.829 -18.453 1.00 0.00 ATOM 1037 NE ARG A 136 2.405 -8.195 -18.226 1.00 0.00 ATOM 1038 CZ ARG A 136 1.722 -9.078 -18.959 1.00 0.00 ATOM 1039 NH1 ARG A 136 2.310 -9.695 -19.982 1.00 0.00 ATOM 1040 NH2 ARG A 136 0.455 -9.367 -18.652 1.00 0.00 ATOM 1041 N GLY A 137 4.192 -2.318 -17.032 1.00 0.00 ATOM 1042 CA GLY A 137 3.575 -1.127 -16.474 1.00 0.00 ATOM 1043 C GLY A 137 3.272 0.049 -17.386 1.00 0.00 ATOM 1044 O GLY A 137 3.739 0.110 -18.520 1.00 0.00 ATOM 1045 N GLU A 138 2.428 0.954 -16.892 1.00 0.00 ATOM 1046 CA GLU A 138 2.061 2.179 -17.603 1.00 0.00 ATOM 1047 C GLU A 138 2.295 3.306 -16.628 1.00 0.00 ATOM 1048 O GLU A 138 1.770 3.286 -15.521 1.00 0.00 ATOM 1049 CB GLU A 138 0.591 2.204 -18.014 1.00 0.00 ATOM 1050 CG GLU A 138 0.143 1.014 -18.794 1.00 0.00 ATOM 1051 CD GLU A 138 -0.638 0.069 -17.923 1.00 0.00 ATOM 1052 OE1 GLU A 138 -0.100 -1.010 -17.568 1.00 0.00 ATOM 1053 OE2 GLU A 138 -1.787 0.433 -17.571 1.00 0.00 ATOM 1054 N THR A 139 3.092 4.279 -17.051 1.00 0.00 ATOM 1055 CA THR A 139 3.432 5.435 -16.238 1.00 0.00 ATOM 1056 C THR A 139 2.562 6.631 -16.593 1.00 0.00 ATOM 1057 O THR A 139 2.492 7.021 -17.758 1.00 0.00 ATOM 1058 CB THR A 139 4.883 5.844 -16.474 1.00 0.00 ATOM 1059 OG1 THR A 139 5.706 4.672 -16.522 1.00 0.00 ATOM 1060 CG2 THR A 139 5.361 6.738 -15.355 1.00 0.00 ATOM 1061 N GLY A 140 1.903 7.203 -15.588 1.00 0.00 ATOM 1062 CA GLY A 140 1.067 8.368 -15.804 1.00 0.00 ATOM 1063 C GLY A 140 1.920 9.620 -15.839 1.00 0.00 ATOM 1064 O GLY A 140 3.127 9.553 -15.641 1.00 0.00 ATOM 1065 N GLU A 141 1.293 10.766 -16.070 1.00 0.00 ATOM 1066 CA GLU A 141 2.012 12.031 -16.141 1.00 0.00 ATOM 1067 C GLU A 141 2.264 12.626 -14.778 1.00 0.00 ATOM 1068 O GLU A 141 1.414 12.541 -13.901 1.00 0.00 ATOM 1069 CB GLU A 141 1.232 13.042 -16.983 1.00 0.00 ATOM 1070 CG GLU A 141 1.127 12.675 -18.468 1.00 0.00 ATOM 1071 CD GLU A 141 2.486 12.537 -19.158 1.00 0.00 ATOM 1072 OE1 GLU A 141 2.698 11.511 -19.846 1.00 0.00 ATOM 1073 OE2 GLU A 141 3.340 13.446 -19.019 1.00 0.00 ATOM 1074 N TRP A 142 3.437 13.226 -14.603 1.00 0.00 ATOM 1075 CA TRP A 142 3.771 13.864 -13.341 1.00 0.00 ATOM 1076 C TRP A 142 2.756 14.987 -13.098 1.00 0.00 ATOM 1077 O TRP A 142 2.270 15.606 -14.042 1.00 0.00 ATOM 1078 CB TRP A 142 5.178 14.463 -13.385 1.00 0.00 ATOM 1079 CG TRP A 142 6.325 13.494 -13.254 1.00 0.00 ATOM 1080 CD1 TRP A 142 7.202 13.135 -14.236 1.00 0.00 ATOM 1081 CD2 TRP A 142 6.801 12.862 -12.050 1.00 0.00 ATOM 1082 NE1 TRP A 142 8.201 12.332 -13.723 1.00 0.00 ATOM 1083 CE2 TRP A 142 7.978 12.150 -12.386 1.00 0.00 ATOM 1084 CE3 TRP A 142 6.354 12.839 -10.723 1.00 0.00 ATOM 1085 CZ2 TRP A 142 8.710 11.422 -11.444 1.00 0.00 ATOM 1086 CZ3 TRP A 142 7.082 12.116 -9.784 1.00 0.00 ATOM 1087 CH2 TRP A 142 8.248 11.416 -10.152 1.00 0.00 ATOM 1088 N ARG A 143 2.407 15.215 -11.839 1.00 0.00 ATOM 1089 CA ARG A 143 1.460 16.260 -11.473 1.00 0.00 ATOM 1090 C ARG A 143 2.019 16.926 -10.226 1.00 0.00 ATOM 1091 O ARG A 143 2.871 16.359 -9.549 1.00 0.00 ATOM 1092 CB ARG A 143 0.074 15.668 -11.142 1.00 0.00 ATOM 1093 CG ARG A 143 -0.463 14.584 -12.102 1.00 0.00 ATOM 1094 CD ARG A 143 -1.877 14.118 -11.684 1.00 0.00 ATOM 1095 NE ARG A 143 -2.332 12.898 -12.377 1.00 0.00 ATOM 1096 CZ ARG A 143 -3.182 11.997 -11.860 1.00 0.00 ATOM 1097 NH1 ARG A 143 -3.686 12.166 -10.635 1.00 0.00 ATOM 1098 NH2 ARG A 143 -3.542 10.923 -12.566 1.00 0.00 ATOM 1099 N PHE A 144 1.579 18.145 -9.940 1.00 0.00 ATOM 1100 CA PHE A 144 2.022 18.831 -8.733 1.00 0.00 ATOM 1101 C PHE A 144 0.923 18.777 -7.673 1.00 0.00 ATOM 1102 O PHE A 144 -0.218 19.157 -7.918 1.00 0.00 ATOM 1103 CB PHE A 144 2.374 20.311 -9.009 1.00 0.00 ATOM 1104 CG PHE A 144 3.851 20.572 -9.211 1.00 0.00 ATOM 1105 CD1 PHE A 144 4.348 20.885 -10.466 1.00 0.00 ATOM 1106 CD2 PHE A 144 4.735 20.516 -8.141 1.00 0.00 ATOM 1107 CE1 PHE A 144 5.696 21.137 -10.651 1.00 0.00 ATOM 1108 CE2 PHE A 144 6.087 20.767 -8.317 1.00 0.00 ATOM 1109 CZ PHE A 144 6.569 21.078 -9.575 1.00 0.00 ATOM 1110 N SER A 145 1.278 18.283 -6.498 1.00 0.00 ATOM 1111 CA SER A 145 0.366 18.213 -5.366 1.00 0.00 ATOM 1112 C SER A 145 0.286 19.615 -4.778 1.00 0.00 ATOM 1113 O SER A 145 1.195 20.421 -4.986 1.00 0.00 ATOM 1114 CB SER A 145 0.973 17.294 -4.317 1.00 0.00 ATOM 1115 OG SER A 145 0.492 17.604 -3.029 1.00 0.00 ATOM 1116 N ARG A 146 -0.762 19.921 -4.021 1.00 0.00 ATOM 1117 CA ARG A 146 -0.799 21.248 -3.427 1.00 0.00 ATOM 1118 C ARG A 146 0.220 21.336 -2.292 1.00 0.00 ATOM 1119 O ARG A 146 0.482 22.417 -1.779 1.00 0.00 ATOM 1120 CB ARG A 146 -2.193 21.651 -2.963 1.00 0.00 ATOM 1121 CG ARG A 146 -2.663 21.015 -1.707 1.00 0.00 ATOM 1122 CD ARG A 146 -4.070 20.505 -1.938 1.00 0.00 ATOM 1123 NE ARG A 146 -4.755 20.213 -0.684 1.00 0.00 ATOM 1124 CZ ARG A 146 -5.723 19.315 -0.550 1.00 0.00 ATOM 1125 NH1 ARG A 146 -6.134 18.594 -1.599 1.00 0.00 ATOM 1126 NH2 ARG A 146 -6.286 19.152 0.641 1.00 0.00 ATOM 1127 N SER A 147 0.806 20.202 -1.907 1.00 0.00 ATOM 1128 CA SER A 147 1.845 20.203 -0.873 1.00 0.00 ATOM 1129 C SER A 147 3.164 20.650 -1.551 1.00 0.00 ATOM 1130 O SER A 147 4.181 20.892 -0.889 1.00 0.00 ATOM 1131 CB SER A 147 2.008 18.810 -0.246 1.00 0.00 ATOM 1132 OG SER A 147 2.525 17.870 -1.180 1.00 0.00 ATOM 1133 N GLY A 148 3.128 20.769 -2.877 1.00 0.00 ATOM 1134 CA GLY A 148 4.297 21.190 -3.613 1.00 0.00 ATOM 1135 C GLY A 148 5.119 20.048 -4.153 1.00 0.00 ATOM 1136 O GLY A 148 6.060 20.269 -4.910 1.00 0.00 ATOM 1137 N LEU A 149 4.784 18.824 -3.766 1.00 0.00 ATOM 1138 CA LEU A 149 5.528 17.668 -4.241 1.00 0.00 ATOM 1139 C LEU A 149 4.998 17.202 -5.569 1.00 0.00 ATOM 1140 O LEU A 149 3.799 17.207 -5.810 1.00 0.00 ATOM 1141 CB LEU A 149 5.445 16.526 -3.233 1.00 0.00 ATOM 1142 CG LEU A 149 6.132 16.756 -1.895 1.00 0.00 ATOM 1143 CD1 LEU A 149 5.898 15.562 -1.020 1.00 0.00 ATOM 1144 CD2 LEU A 149 7.616 16.972 -2.084 1.00 0.00 ATOM 1145 N ARG A 150 5.905 16.830 -6.453 1.00 0.00 ATOM 1146 CA ARG A 150 5.514 16.318 -7.759 1.00 0.00 ATOM 1147 C ARG A 150 5.277 14.815 -7.539 1.00 0.00 ATOM 1148 O ARG A 150 5.957 14.198 -6.723 1.00 0.00 ATOM 1149 CB ARG A 150 6.665 16.550 -8.733 1.00 0.00 ATOM 1150 CG ARG A 150 6.272 16.927 -10.136 1.00 0.00 ATOM 1151 CD ARG A 150 7.485 17.466 -10.890 1.00 0.00 ATOM 1152 NE ARG A 150 8.546 16.467 -10.959 1.00 0.00 ATOM 1153 CZ ARG A 150 8.910 15.824 -12.063 1.00 0.00 ATOM 1154 NH1 ARG A 150 8.307 16.073 -13.218 1.00 0.00 ATOM 1155 NH2 ARG A 150 9.851 14.899 -12.000 1.00 0.00 ATOM 1156 N TYR A 151 4.285 14.236 -8.201 1.00 0.00 ATOM 1157 CA TYR A 151 4.018 12.810 -8.047 1.00 0.00 ATOM 1158 C TYR A 151 3.398 12.249 -9.316 1.00 0.00 ATOM 1159 O TYR A 151 2.906 13.002 -10.158 1.00 0.00 ATOM 1160 CB TYR A 151 3.069 12.552 -6.868 1.00 0.00 ATOM 1161 CG TYR A 151 1.659 13.033 -7.111 1.00 0.00 ATOM 1162 CD1 TYR A 151 0.682 12.173 -7.608 1.00 0.00 ATOM 1163 CD2 TYR A 151 1.309 14.368 -6.890 1.00 0.00 ATOM 1164 CE1 TYR A 151 -0.609 12.633 -7.887 1.00 0.00 ATOM 1165 CE2 TYR A 151 0.019 14.837 -7.165 1.00 0.00 ATOM 1166 CZ TYR A 151 -0.931 13.965 -7.665 1.00 0.00 ATOM 1167 OH TYR A 151 -2.195 14.430 -7.961 1.00 0.00 ATOM 1168 N ARG A 152 3.474 10.931 -9.471 1.00 0.00 ATOM 1169 CA ARG A 152 2.865 10.259 -10.606 1.00 0.00 ATOM 1170 C ARG A 152 2.418 8.866 -10.230 1.00 0.00 ATOM 1171 O ARG A 152 2.920 8.270 -9.286 1.00 0.00 ATOM 1172 CB ARG A 152 3.769 10.228 -11.833 1.00 0.00 ATOM 1173 CG ARG A 152 5.071 9.525 -11.670 1.00 0.00 ATOM 1174 CD ARG A 152 5.712 9.376 -13.022 1.00 0.00 ATOM 1175 NE ARG A 152 7.075 8.903 -12.881 1.00 0.00 ATOM 1176 CZ ARG A 152 7.970 8.871 -13.863 1.00 0.00 ATOM 1177 NH1 ARG A 152 7.640 9.280 -15.077 1.00 0.00 ATOM 1178 NH2 ARG A 152 9.217 8.491 -13.606 1.00 0.00 ATOM 1179 N LEU A 153 1.430 8.376 -10.964 1.00 0.00 ATOM 1180 CA LEU A 153 0.860 7.069 -10.718 1.00 0.00 ATOM 1181 C LEU A 153 1.334 6.056 -11.743 1.00 0.00 ATOM 1182 O LEU A 153 1.555 6.387 -12.906 1.00 0.00 ATOM 1183 CB LEU A 153 -0.668 7.153 -10.739 1.00 0.00 ATOM 1184 CG LEU A 153 -1.325 8.282 -9.924 1.00 0.00 ATOM 1185 CD1 LEU A 153 -2.852 8.179 -10.009 1.00 0.00 ATOM 1186 CD2 LEU A 153 -0.877 8.258 -8.477 1.00 0.00 ATOM 1187 N TYR A 154 1.539 4.829 -11.278 1.00 0.00 ATOM 1188 CA TYR A 154 1.967 3.710 -12.111 1.00 0.00 ATOM 1189 C TYR A 154 0.965 2.580 -11.938 1.00 0.00 ATOM 1190 O TYR A 154 0.433 2.366 -10.851 1.00 0.00 ATOM 1191 CB TYR A 154 3.305 3.163 -11.635 1.00 0.00 ATOM 1192 CG TYR A 154 4.537 3.955 -11.965 1.00 0.00 ATOM 1193 CD1 TYR A 154 4.975 4.978 -11.128 1.00 0.00 ATOM 1194 CD2 TYR A 154 5.339 3.596 -13.054 1.00 0.00 ATOM 1195 CE1 TYR A 154 6.191 5.617 -11.359 1.00 0.00 ATOM 1196 CE2 TYR A 154 6.545 4.224 -13.295 1.00 0.00 ATOM 1197 CZ TYR A 154 6.975 5.229 -12.446 1.00 0.00 ATOM 1198 OH TYR A 154 8.204 5.818 -12.655 1.00 0.00 ATOM 1199 N SER A 155 0.734 1.829 -13.003 1.00 0.00 ATOM 1200 CA SER A 155 -0.163 0.691 -12.954 1.00 0.00 ATOM 1201 C SER A 155 0.575 -0.478 -13.564 1.00 0.00 ATOM 1202 O SER A 155 1.016 -0.416 -14.711 1.00 0.00 ATOM 1203 CB SER A 155 -1.441 0.973 -13.724 1.00 0.00 ATOM 1204 OG SER A 155 -2.278 1.811 -12.958 1.00 0.00 ATOM 1205 N TYR A 156 0.773 -1.512 -12.756 1.00 0.00 ATOM 1206 CA TYR A 156 1.478 -2.701 -13.189 1.00 0.00 ATOM 1207 C TYR A 156 0.574 -3.894 -13.118 1.00 0.00 ATOM 1208 O TYR A 156 -0.313 -3.974 -12.265 1.00 0.00 ATOM 1209 CB TYR A 156 2.655 -2.988 -12.279 1.00 0.00 ATOM 1210 CG TYR A 156 3.749 -1.970 -12.293 1.00 0.00 ATOM 1211 CD1 TYR A 156 3.755 -0.923 -11.372 1.00 0.00 ATOM 1212 CD2 TYR A 156 4.827 -2.096 -13.166 1.00 0.00 ATOM 1213 CE1 TYR A 156 4.798 -0.038 -11.312 1.00 0.00 ATOM 1214 CE2 TYR A 156 5.883 -1.214 -13.114 1.00 0.00 ATOM 1215 CZ TYR A 156 5.863 -0.187 -12.182 1.00 0.00 ATOM 1216 OH TYR A 156 6.925 0.679 -12.091 1.00 0.00 ATOM 1217 N HIS A 157 0.865 -4.856 -13.984 1.00 0.00 ATOM 1218 CA HIS A 157 0.126 -6.102 -14.050 1.00 0.00 ATOM 1219 C HIS A 157 1.036 -7.207 -14.588 1.00 0.00 ATOM 1220 O HIS A 157 2.131 -6.954 -15.106 1.00 0.00 ATOM 1221 CB HIS A 157 -1.112 -5.951 -14.939 1.00 0.00 ATOM 1222 CG HIS A 157 -0.796 -5.532 -16.341 1.00 0.00 ATOM 1223 ND1 HIS A 157 -0.382 -4.254 -16.662 1.00 0.00 ATOM 1224 CD2 HIS A 157 -0.803 -6.229 -17.505 1.00 0.00 ATOM 1225 CE1 HIS A 157 -0.146 -4.184 -17.961 1.00 0.00 ATOM 1226 NE2 HIS A 157 -0.394 -5.368 -18.497 1.00 0.00 ATOM 1227 N ARG A 158 0.601 -8.438 -14.359 1.00 0.00 ATOM 1228 CA ARG A 158 1.283 -9.631 -14.822 1.00 0.00 ATOM 1229 C ARG A 158 0.252 -10.735 -14.697 1.00 0.00 ATOM 1230 O ARG A 158 -0.747 -10.579 -13.993 1.00 0.00 ATOM 1231 CB ARG A 158 2.541 -9.924 -14.001 1.00 0.00 ATOM 1232 CG ARG A 158 2.325 -10.464 -12.617 1.00 0.00 ATOM 1233 CD ARG A 158 3.664 -10.801 -11.994 1.00 0.00 ATOM 1234 NE ARG A 158 3.505 -11.145 -10.584 1.00 0.00 ATOM 1235 CZ ARG A 158 4.498 -11.450 -9.760 1.00 0.00 ATOM 1236 NH1 ARG A 158 5.749 -11.479 -10.194 1.00 0.00 ATOM 1237 NH2 ARG A 158 4.245 -11.665 -8.480 1.00 0.00 ATOM 1238 N SER A 159 0.433 -11.814 -15.442 1.00 0.00 ATOM 1239 CA SER A 159 -0.533 -12.901 -15.384 1.00 0.00 ATOM 1240 C SER A 159 -0.099 -14.117 -14.575 1.00 0.00 ATOM 1241 O SER A 159 -0.928 -15.051 -14.493 1.00 0.00 ATOM 1242 CB SER A 159 -0.960 -13.298 -16.792 1.00 0.00 ATOM 1243 OG SER A 159 -1.558 -12.189 -17.443 1.00 0.00 ATOM 1244 OXT SER A 159 1.011 -14.089 -13.973 1.00 0.00 TER 1245 SER A 159 MODEL 2 REMARK VINA RESULT: -6.6 0.979 3.192 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 3.114 3.174 4.216 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 3.489 2.790 5.657 1.00 20.00 HETATM 3 C1 TOP A 201 3.988 3.756 6.534 1.00 20.00 HETATM 4 N2 TOP A 201 4.458 3.581 7.786 1.00 20.00 HETATM 5 C3 TOP A 201 4.380 2.294 8.300 1.00 20.00 HETATM 6 N5 TOP A 201 3.779 1.239 7.597 1.00 20.00 HETATM 7 C6 TOP A 201 3.361 1.494 6.284 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 4.898 2.042 9.559 1.00 20.00 HETATM 9 H41 TOP A 201 5.857 1.917 9.782 1.00 20.00 HETATM 10 H42 TOP A 201 4.300 1.985 10.385 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 2.827 0.390 5.662 1.00 20.00 HETATM 12 H71 TOP A 201 2.506 -0.453 6.103 1.00 20.00 HETATM 13 H72 TOP A 201 2.712 0.346 4.658 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 1.603 3.191 3.809 1.00 20.00 HETATM 15 C11 TOP A 201 0.562 3.273 4.758 1.00 20.00 HETATM 16 C12 TOP A 201 -0.807 3.149 4.424 1.00 20.00 HETATM 17 C15 TOP A 201 -1.184 3.130 3.047 1.00 20.00 HETATM 18 C18 TOP A 201 -0.153 3.180 2.061 1.00 20.00 HETATM 19 C21 TOP A 201 1.204 3.192 2.460 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 -1.775 3.274 5.415 1.00 20.00 HETATM 21 C14 TOP A 201 -1.590 4.220 6.465 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 -2.502 3.252 2.673 1.00 20.00 HETATM 23 C17 TOP A 201 -3.082 4.551 2.685 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 -0.478 3.312 0.721 1.00 20.00 HETATM 25 C20 TOP A 201 -0.410 4.615 0.152 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL laila/./ligand-laila-opt.pdb0000664000076600007660000001125212307605610015455 0ustar galaxygalaxyREMARK 99 electronic Ligand Builder and Optimisation Workbench (eLBOW) REMARK 99 - a module of PHENIX version 1.8.4-1496 (Mon Oct 4 12:30:00 2013) REMARK 99 - file written: Tue Mar 11 18:41:36 2014 REMARK 99 REMARK 99 Input file: ligand-laila-normal.pdb REMARK 99 Quantum optimisation: True REMARK 99 Method: AM1 REMARK 99 Random seed: 3628800 FORMUL 1 TOP C14 H18 N4 O3 HETATM 1 C1 TOP A 201 -0.342 -0.769 -2.130 1.00 20.00 C HETATM 2 N2 TOP A 201 -0.847 -1.814 -2.817 1.00 20.00 N HETATM 3 C3 TOP A 201 -0.011 -2.393 -3.762 1.00 20.00 C HETATM 4 N4 TOP A 201 -0.455 -3.504 -4.459 1.00 20.00 N HETATM 5 N5 TOP A 201 1.263 -1.883 -4.052 1.00 20.00 N HETATM 6 C6 TOP A 201 1.731 -0.827 -3.258 1.00 20.00 C HETATM 7 N7 TOP A 201 3.004 -0.426 -3.587 1.00 20.00 N HETATM 8 C8 TOP A 201 0.945 -0.231 -2.201 1.00 20.00 C HETATM 9 C9 TOP A 201 1.368 0.891 -1.239 1.00 20.00 C HETATM 10 C10 TOP A 201 0.684 0.977 0.167 1.00 20.00 C HETATM 11 C11 TOP A 201 1.180 0.290 1.295 1.00 20.00 C HETATM 12 C12 TOP A 201 0.502 0.241 2.536 1.00 20.00 C HETATM 13 O13 TOP A 201 1.074 -0.432 3.610 1.00 20.00 O HETATM 14 C14 TOP A 201 0.929 -1.846 3.714 1.00 20.00 C HETATM 15 C15 TOP A 201 -0.641 1.073 2.733 1.00 20.00 C HETATM 16 O16 TOP A 201 -1.186 1.241 3.985 1.00 20.00 O HETATM 17 C17 TOP A 201 -2.239 0.370 4.377 1.00 20.00 C HETATM 18 C18 TOP A 201 -1.086 1.882 1.644 1.00 20.00 C HETATM 19 O19 TOP A 201 -2.097 2.810 1.835 1.00 20.00 O HETATM 20 C20 TOP A 201 -3.355 2.547 1.223 1.00 20.00 C HETATM 21 C21 TOP A 201 -0.431 1.803 0.393 1.00 20.00 C HETATM 22 H11 TOP A 201 -1.086 -0.305 -1.464 1.00 20.00 H HETATM 23 H41 TOP A 201 -0.001 -3.927 -5.234 1.00 20.00 H HETATM 24 H42 TOP A 201 -1.310 -3.998 -4.197 1.00 20.00 H HETATM 25 H71 TOP A 201 3.603 -0.833 -4.283 1.00 20.00 H HETATM 26 H72 TOP A 201 3.455 0.353 -3.125 1.00 20.00 H HETATM 27 H91 TOP A 201 2.472 0.867 -1.111 1.00 20.00 H HETATM 28 H92 TOP A 201 1.296 1.885 -1.757 1.00 20.00 H HETATM 29 H111 TOP A 201 2.183 -0.160 1.237 1.00 20.00 H HETATM 30 H141 TOP A 201 1.210 -2.405 2.812 1.00 20.00 H HETATM 31 H142 TOP A 201 -0.078 -2.162 4.024 1.00 20.00 H HETATM 32 H143 TOP A 201 1.574 -2.280 4.518 1.00 20.00 H HETATM 33 H171 TOP A 201 -2.610 -0.282 3.582 1.00 20.00 H HETATM 34 H172 TOP A 201 -1.955 -0.277 5.230 1.00 20.00 H HETATM 35 H173 TOP A 201 -3.111 0.928 4.775 1.00 20.00 H HETATM 36 H201 TOP A 201 -4.136 3.265 1.565 1.00 20.00 H HETATM 37 H202 TOP A 201 -3.759 1.558 1.472 1.00 20.00 H HETATM 38 H203 TOP A 201 -3.365 2.649 0.126 1.00 20.00 H HETATM 39 H211 TOP A 201 -0.848 2.367 -0.454 1.00 20.00 H CONECT 1 2 22 CONECT 1 8 CONECT 1 8 CONECT 2 1 CONECT 2 3 CONECT 2 3 CONECT 3 4 5 CONECT 3 2 CONECT 3 2 CONECT 4 3 23 24 CONECT 5 3 CONECT 5 6 CONECT 5 6 CONECT 6 7 8 CONECT 6 5 CONECT 6 5 CONECT 7 6 25 26 CONECT 8 6 9 CONECT 8 1 CONECT 8 1 CONECT 9 8 10 27 28 CONECT 10 9 11 CONECT 10 21 CONECT 10 21 CONECT 11 10 29 CONECT 11 12 CONECT 11 12 CONECT 12 13 15 CONECT 12 11 CONECT 12 11 CONECT 13 12 14 CONECT 14 13 30 31 32 CONECT 15 12 16 CONECT 15 18 CONECT 15 18 CONECT 16 15 17 CONECT 17 16 33 34 35 CONECT 18 19 21 CONECT 18 15 CONECT 18 15 CONECT 19 18 20 CONECT 20 19 36 37 38 CONECT 21 18 39 CONECT 21 10 CONECT 21 10 CONECT 22 1 CONECT 23 4 CONECT 24 4 CONECT 25 7 CONECT 26 7 CONECT 27 9 CONECT 28 9 CONECT 29 11 CONECT 30 14 CONECT 31 14 CONECT 32 14 CONECT 33 17 CONECT 34 17 CONECT 35 17 CONECT 36 20 CONECT 37 20 CONECT 38 20 CONECT 39 21 END laila/./laila-models.pdb0000664000076600007660000005266612307606043014721 0ustar galaxygalaxyMODEL 1 REMARK VINA RESULT: -6.8 0.000 0.000 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 3.373 2.655 3.888 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 3.899 2.168 5.248 1.00 20.00 HETATM 3 C1 TOP A 201 4.069 0.803 5.487 1.00 20.00 HETATM 4 N2 TOP A 201 4.419 0.196 6.639 1.00 20.00 HETATM 5 C3 TOP A 201 4.712 1.029 7.711 1.00 20.00 HETATM 6 N5 TOP A 201 4.722 2.427 7.596 1.00 20.00 HETATM 7 C6 TOP A 201 4.298 2.977 6.378 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 5.023 0.462 8.935 1.00 20.00 HETATM 9 H41 TOP A 201 5.475 -0.411 9.077 1.00 20.00 HETATM 10 H42 TOP A 201 4.817 0.936 9.816 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 4.299 4.351 6.376 1.00 20.00 HETATM 12 H71 TOP A 201 3.600 4.955 6.770 1.00 20.00 HETATM 13 H72 TOP A 201 5.048 4.884 5.953 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 1.826 2.776 3.677 1.00 20.00 HETATM 15 C11 TOP A 201 1.224 2.671 2.405 1.00 20.00 HETATM 16 C12 TOP A 201 -0.150 2.915 2.173 1.00 20.00 HETATM 17 C15 TOP A 201 -1.020 3.091 3.292 1.00 20.00 HETATM 18 C18 TOP A 201 -0.453 3.068 4.601 1.00 20.00 HETATM 19 C21 TOP A 201 0.946 2.931 4.762 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 -0.674 2.758 0.895 1.00 20.00 HETATM 21 C14 TOP A 201 -0.801 3.893 0.042 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 -2.387 3.090 3.132 1.00 20.00 HETATM 23 C17 TOP A 201 -3.040 4.343 2.967 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 -1.275 3.088 5.716 1.00 20.00 HETATM 25 C20 TOP A 201 -0.707 3.527 6.945 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL MODEL 2 REMARK VINA RESULT: -6.6 0.979 3.192 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 3.114 3.174 4.216 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 3.489 2.790 5.657 1.00 20.00 HETATM 3 C1 TOP A 201 3.988 3.756 6.534 1.00 20.00 HETATM 4 N2 TOP A 201 4.458 3.581 7.786 1.00 20.00 HETATM 5 C3 TOP A 201 4.380 2.294 8.300 1.00 20.00 HETATM 6 N5 TOP A 201 3.779 1.239 7.597 1.00 20.00 HETATM 7 C6 TOP A 201 3.361 1.494 6.284 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 4.898 2.042 9.559 1.00 20.00 HETATM 9 H41 TOP A 201 5.857 1.917 9.782 1.00 20.00 HETATM 10 H42 TOP A 201 4.300 1.985 10.385 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 2.827 0.390 5.662 1.00 20.00 HETATM 12 H71 TOP A 201 2.506 -0.453 6.103 1.00 20.00 HETATM 13 H72 TOP A 201 2.712 0.346 4.658 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 1.603 3.191 3.809 1.00 20.00 HETATM 15 C11 TOP A 201 0.562 3.273 4.758 1.00 20.00 HETATM 16 C12 TOP A 201 -0.807 3.149 4.424 1.00 20.00 HETATM 17 C15 TOP A 201 -1.184 3.130 3.047 1.00 20.00 HETATM 18 C18 TOP A 201 -0.153 3.180 2.061 1.00 20.00 HETATM 19 C21 TOP A 201 1.204 3.192 2.460 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 -1.775 3.274 5.415 1.00 20.00 HETATM 21 C14 TOP A 201 -1.590 4.220 6.465 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 -2.502 3.252 2.673 1.00 20.00 HETATM 23 C17 TOP A 201 -3.082 4.551 2.685 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 -0.478 3.312 0.721 1.00 20.00 HETATM 25 C20 TOP A 201 -0.410 4.615 0.152 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL MODEL 3 REMARK VINA RESULT: -6.6 4.353 6.956 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 -2.178 3.073 3.369 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -1.915 3.548 1.931 1.00 20.00 HETATM 3 C1 TOP A 201 -2.343 4.812 1.519 1.00 20.00 HETATM 4 N2 TOP A 201 -2.289 5.348 0.282 1.00 20.00 HETATM 5 C3 TOP A 201 -1.674 4.580 -0.697 1.00 20.00 HETATM 6 N5 TOP A 201 -1.070 3.346 -0.415 1.00 20.00 HETATM 7 C6 TOP A 201 -1.215 2.838 0.883 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 -1.639 5.054 -1.997 1.00 20.00 HETATM 9 H41 TOP A 201 -1.952 4.569 -2.805 1.00 20.00 HETATM 10 H42 TOP A 201 -1.290 5.988 -2.221 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 -0.629 1.606 1.051 1.00 20.00 HETATM 12 H71 TOP A 201 -0.632 0.844 0.398 1.00 20.00 HETATM 13 H72 TOP A 201 -0.123 1.365 1.893 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 -1.006 3.120 4.405 1.00 20.00 HETATM 15 C11 TOP A 201 0.074 2.213 4.370 1.00 20.00 HETATM 16 C12 TOP A 201 1.069 2.147 5.374 1.00 20.00 HETATM 17 C15 TOP A 201 1.104 3.161 6.379 1.00 20.00 HETATM 18 C18 TOP A 201 0.096 4.171 6.358 1.00 20.00 HETATM 19 C21 TOP A 201 -0.936 4.118 5.393 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 2.119 1.245 5.249 1.00 20.00 HETATM 21 C14 TOP A 201 2.683 0.994 3.965 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 2.181 3.278 7.227 1.00 20.00 HETATM 23 C17 TOP A 201 3.352 3.917 6.735 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 0.177 5.252 7.221 1.00 20.00 HETATM 25 C20 TOP A 201 -0.800 6.279 7.083 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL MODEL 4 REMARK VINA RESULT: -6.6 4.385 7.258 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 -2.132 2.915 3.444 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -1.928 3.457 2.020 1.00 20.00 HETATM 3 C1 TOP A 201 -2.367 4.741 1.688 1.00 20.00 HETATM 4 N2 TOP A 201 -2.364 5.335 0.477 1.00 20.00 HETATM 5 C3 TOP A 201 -1.796 4.613 -0.563 1.00 20.00 HETATM 6 N5 TOP A 201 -1.186 3.365 -0.367 1.00 20.00 HETATM 7 C6 TOP A 201 -1.278 2.796 0.911 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 -1.814 5.149 -1.840 1.00 20.00 HETATM 9 H41 TOP A 201 -2.164 4.703 -2.655 1.00 20.00 HETATM 10 H42 TOP A 201 -1.470 6.091 -2.033 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 -0.691 1.556 0.994 1.00 20.00 HETATM 12 H71 TOP A 201 -0.727 0.825 0.305 1.00 20.00 HETATM 13 H72 TOP A 201 -0.151 1.273 1.801 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 -0.969 3.064 4.481 1.00 20.00 HETATM 15 C11 TOP A 201 -1.071 3.886 5.623 1.00 20.00 HETATM 16 C12 TOP A 201 0.012 4.145 6.496 1.00 20.00 HETATM 17 C15 TOP A 201 1.219 3.400 6.338 1.00 20.00 HETATM 18 C18 TOP A 201 1.301 2.460 5.266 1.00 20.00 HETATM 19 C21 TOP A 201 0.223 2.328 4.361 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 -0.180 4.942 7.619 1.00 20.00 HETATM 21 C14 TOP A 201 -1.402 5.658 7.774 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 2.205 3.439 7.298 1.00 20.00 HETATM 23 C17 TOP A 201 3.390 4.168 7.007 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 2.394 1.614 5.166 1.00 20.00 HETATM 25 C20 TOP A 201 2.582 0.927 3.933 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL MODEL 5 REMARK VINA RESULT: -6.5 4.393 7.399 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 -1.191 3.157 5.463 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -1.806 4.036 4.362 1.00 20.00 HETATM 3 C1 TOP A 201 -2.018 5.398 4.587 1.00 20.00 HETATM 4 N2 TOP A 201 -2.633 6.289 3.782 1.00 20.00 HETATM 5 C3 TOP A 201 -3.054 5.818 2.547 1.00 20.00 HETATM 6 N5 TOP A 201 -2.793 4.509 2.113 1.00 20.00 HETATM 7 C6 TOP A 201 -2.194 3.633 3.028 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 -3.740 6.673 1.701 1.00 20.00 HETATM 9 H41 TOP A 201 -3.802 7.659 1.793 1.00 20.00 HETATM 10 H42 TOP A 201 -4.235 6.331 0.875 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 -2.021 2.364 2.529 1.00 20.00 HETATM 12 H71 TOP A 201 -2.686 1.612 2.552 1.00 20.00 HETATM 13 H72 TOP A 201 -1.162 2.082 2.075 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 0.369 3.072 5.577 1.00 20.00 HETATM 15 C11 TOP A 201 1.030 2.895 6.810 1.00 20.00 HETATM 16 C12 TOP A 201 2.437 2.956 6.954 1.00 20.00 HETATM 17 C15 TOP A 201 3.250 3.009 5.782 1.00 20.00 HETATM 18 C18 TOP A 201 2.604 3.055 4.510 1.00 20.00 HETATM 19 C21 TOP A 201 1.192 3.103 4.438 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 3.014 2.739 8.200 1.00 20.00 HETATM 21 C14 TOP A 201 3.013 1.428 8.759 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 4.612 2.828 5.858 1.00 20.00 HETATM 23 C17 TOP A 201 5.111 1.497 5.838 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 3.351 2.959 3.347 1.00 20.00 HETATM 25 C20 TOP A 201 2.985 3.802 2.260 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL MODEL 6 REMARK VINA RESULT: -6.4 4.357 6.858 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 -1.280 3.402 5.849 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -1.885 4.174 4.665 1.00 20.00 HETATM 3 C1 TOP A 201 -1.933 5.570 4.687 1.00 20.00 HETATM 4 N2 TOP A 201 -2.512 6.398 3.794 1.00 20.00 HETATM 5 C3 TOP A 201 -3.078 5.800 2.676 1.00 20.00 HETATM 6 N5 TOP A 201 -2.994 4.421 2.437 1.00 20.00 HETATM 7 C6 TOP A 201 -2.420 3.626 3.438 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 -3.736 6.595 1.752 1.00 20.00 HETATM 9 H41 TOP A 201 -3.660 7.581 1.672 1.00 20.00 HETATM 10 H42 TOP A 201 -4.356 6.197 1.045 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 -2.422 2.286 3.134 1.00 20.00 HETATM 12 H71 TOP A 201 -2.599 1.525 3.765 1.00 20.00 HETATM 13 H72 TOP A 201 -2.236 1.950 2.198 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 0.237 3.020 5.804 1.00 20.00 HETATM 15 C11 TOP A 201 0.943 2.857 4.593 1.00 20.00 HETATM 16 C12 TOP A 201 2.273 2.378 4.526 1.00 20.00 HETATM 17 C15 TOP A 201 3.015 2.226 5.736 1.00 20.00 HETATM 18 C18 TOP A 201 2.362 2.514 6.972 1.00 20.00 HETATM 19 C21 TOP A 201 0.996 2.883 6.980 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 2.909 2.276 3.294 1.00 20.00 HETATM 21 C14 TOP A 201 3.064 3.437 2.482 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 4.371 1.996 5.709 1.00 20.00 HETATM 23 C17 TOP A 201 4.823 0.653 5.814 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 3.084 2.522 8.155 1.00 20.00 HETATM 25 C20 TOP A 201 3.088 1.329 8.931 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL MODEL 7 REMARK VINA RESULT: -6.4 1.955 3.171 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 3.910 3.825 7.807 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 4.783 2.683 8.352 1.00 20.00 HETATM 3 C1 TOP A 201 6.137 2.899 8.618 1.00 20.00 HETATM 4 N2 TOP A 201 7.066 1.998 8.999 1.00 20.00 HETATM 5 C3 TOP A 201 6.615 0.703 9.218 1.00 20.00 HETATM 6 N5 TOP A 201 5.260 0.353 9.128 1.00 20.00 HETATM 7 C6 TOP A 201 4.368 1.337 8.678 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 7.532 -0.278 9.556 1.00 20.00 HETATM 9 H41 TOP A 201 8.263 -0.189 10.223 1.00 20.00 HETATM 10 H42 TOP A 201 7.505 -1.209 9.136 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 3.073 0.888 8.580 1.00 20.00 HETATM 12 H71 TOP A 201 2.739 0.131 8.010 1.00 20.00 HETATM 13 H72 TOP A 201 2.319 1.312 9.104 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 2.913 3.521 6.639 1.00 20.00 HETATM 15 C11 TOP A 201 3.341 3.054 5.379 1.00 20.00 HETATM 16 C12 TOP A 201 2.475 2.906 4.269 1.00 20.00 HETATM 17 C15 TOP A 201 1.068 3.050 4.465 1.00 20.00 HETATM 18 C18 TOP A 201 0.598 3.393 5.769 1.00 20.00 HETATM 19 C21 TOP A 201 1.522 3.636 6.811 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 2.969 2.409 3.068 1.00 20.00 HETATM 21 C14 TOP A 201 3.238 3.304 1.992 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 0.176 2.684 3.484 1.00 20.00 HETATM 23 C17 TOP A 201 -0.360 3.707 2.655 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 -0.762 3.399 6.038 1.00 20.00 HETATM 25 C20 TOP A 201 -1.162 3.527 7.398 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL MODEL 8 REMARK VINA RESULT: -6.3 4.975 8.099 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 3.029 1.573 7.617 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 2.962 1.841 6.105 1.00 20.00 HETATM 3 C1 TOP A 201 2.233 0.989 5.272 1.00 20.00 HETATM 4 N2 TOP A 201 2.147 1.012 3.926 1.00 20.00 HETATM 5 C3 TOP A 201 2.812 2.047 3.283 1.00 20.00 HETATM 6 N5 TOP A 201 3.476 3.065 3.985 1.00 20.00 HETATM 7 C6 TOP A 201 3.560 2.939 5.378 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 2.806 2.090 1.900 1.00 20.00 HETATM 9 H41 TOP A 201 2.935 1.317 1.291 1.00 20.00 HETATM 10 H42 TOP A 201 2.641 2.960 1.388 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 4.266 3.958 5.972 1.00 20.00 HETATM 12 H71 TOP A 201 4.601 3.987 6.918 1.00 20.00 HETATM 13 H72 TOP A 201 4.513 4.800 5.469 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 4.297 0.864 8.202 1.00 20.00 HETATM 15 C11 TOP A 201 4.609 -0.483 7.923 1.00 20.00 HETATM 16 C12 TOP A 201 5.668 -1.182 8.549 1.00 20.00 HETATM 17 C15 TOP A 201 6.591 -0.456 9.361 1.00 20.00 HETATM 18 C18 TOP A 201 6.372 0.942 9.552 1.00 20.00 HETATM 19 C21 TOP A 201 5.231 1.560 8.988 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 5.930 -2.501 8.195 1.00 20.00 HETATM 21 C14 TOP A 201 5.334 -3.562 8.937 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 7.761 -1.036 9.792 1.00 20.00 HETATM 23 C17 TOP A 201 8.808 -1.210 8.845 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 7.319 1.711 10.208 1.00 20.00 HETATM 25 C20 TOP A 201 8.285 2.386 9.410 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL MODEL 9 REMARK VINA RESULT: -6.3 5.422 8.758 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 3.533 0.982 8.502 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 3.332 1.675 7.144 1.00 20.00 HETATM 3 C1 TOP A 201 4.317 1.588 6.158 1.00 20.00 HETATM 4 N2 TOP A 201 4.355 2.209 4.962 1.00 20.00 HETATM 5 C3 TOP A 201 3.249 2.982 4.632 1.00 20.00 HETATM 6 N5 TOP A 201 2.116 3.061 5.455 1.00 20.00 HETATM 7 C6 TOP A 201 2.179 2.427 6.703 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 3.255 3.687 3.441 1.00 20.00 HETATM 9 H41 TOP A 201 3.016 3.326 2.548 1.00 20.00 HETATM 10 H42 TOP A 201 3.498 4.679 3.403 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 1.040 2.598 7.454 1.00 20.00 HETATM 12 H71 TOP A 201 0.417 3.385 7.433 1.00 20.00 HETATM 13 H72 TOP A 201 0.731 1.903 8.121 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 4.958 0.445 8.870 1.00 20.00 HETATM 15 C11 TOP A 201 5.928 1.246 9.508 1.00 20.00 HETATM 16 C12 TOP A 201 7.263 0.827 9.723 1.00 20.00 HETATM 17 C15 TOP A 201 7.612 -0.532 9.462 1.00 20.00 HETATM 18 C18 TOP A 201 6.607 -1.401 8.940 1.00 20.00 HETATM 19 C21 TOP A 201 5.321 -0.894 8.642 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 8.151 1.665 10.388 1.00 20.00 HETATM 21 C14 TOP A 201 9.094 2.429 9.641 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 8.819 -1.045 9.878 1.00 20.00 HETATM 23 C17 TOP A 201 9.871 -1.129 8.926 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 6.859 -2.758 8.811 1.00 20.00 HETATM 25 C20 TOP A 201 5.737 -3.628 8.707 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL laila/./complex-laila-5.pdb0000664000076600007660000024746612307606044015254 0ustar galaxygalaxyATOM 1 N MET A 1 -7.666 -12.503 -7.596 1.00 0.00 ATOM 2 CA MET A 1 -6.845 -11.294 -7.883 1.00 0.00 ATOM 3 C MET A 1 -6.358 -10.631 -6.595 1.00 0.00 ATOM 4 O MET A 1 -7.159 -10.238 -5.736 1.00 0.00 ATOM 5 CB MET A 1 -7.666 -10.277 -8.686 1.00 0.00 ATOM 6 CG MET A 1 -6.868 -9.138 -9.382 1.00 0.00 ATOM 7 SD MET A 1 -6.016 -7.851 -8.372 1.00 0.00 ATOM 8 CE MET A 1 -7.337 -7.058 -7.519 1.00 0.00 ATOM 9 N VAL A 2 -5.039 -10.569 -6.443 1.00 0.00 ATOM 10 CA VAL A 2 -4.432 -9.905 -5.306 1.00 0.00 ATOM 11 C VAL A 2 -3.626 -8.757 -5.882 1.00 0.00 ATOM 12 O VAL A 2 -2.848 -8.935 -6.820 1.00 0.00 ATOM 13 CB VAL A 2 -3.518 -10.833 -4.505 1.00 0.00 ATOM 14 CG1 VAL A 2 -2.790 -10.057 -3.441 1.00 0.00 ATOM 15 CG2 VAL A 2 -4.333 -11.907 -3.852 1.00 0.00 ATOM 16 N GLY A 3 -3.883 -7.561 -5.370 1.00 0.00 ATOM 17 CA GLY A 3 -3.157 -6.395 -5.826 1.00 0.00 ATOM 18 C GLY A 3 -2.468 -5.721 -4.668 1.00 0.00 ATOM 19 O GLY A 3 -2.866 -5.888 -3.520 1.00 0.00 ATOM 20 N LEU A 4 -1.386 -5.019 -4.962 1.00 0.00 ATOM 21 CA LEU A 4 -0.663 -4.285 -3.945 1.00 0.00 ATOM 22 C LEU A 4 -0.829 -2.807 -4.262 1.00 0.00 ATOM 23 O LEU A 4 -0.918 -2.440 -5.420 1.00 0.00 ATOM 24 CB LEU A 4 0.828 -4.629 -3.989 1.00 0.00 ATOM 25 CG LEU A 4 1.392 -5.804 -3.185 1.00 0.00 ATOM 26 CD1 LEU A 4 0.551 -7.043 -3.328 1.00 0.00 ATOM 27 CD2 LEU A 4 2.836 -6.059 -3.615 1.00 0.00 ATOM 28 N ILE A 5 -0.940 -1.967 -3.239 1.00 0.00 ATOM 29 CA ILE A 5 -1.043 -0.531 -3.464 1.00 0.00 ATOM 30 C ILE A 5 -0.207 0.196 -2.419 1.00 0.00 ATOM 31 O ILE A 5 -0.243 -0.143 -1.235 1.00 0.00 ATOM 32 CB ILE A 5 -2.525 -0.020 -3.488 1.00 0.00 ATOM 33 CG1 ILE A 5 -2.556 1.504 -3.678 1.00 0.00 ATOM 34 CG2 ILE A 5 -3.269 -0.410 -2.227 1.00 0.00 ATOM 35 CD1 ILE A 5 -3.933 2.054 -4.027 1.00 0.00 ATOM 36 N TRP A 6 0.628 1.123 -2.878 1.00 0.00 ATOM 37 CA TRP A 6 1.479 1.898 -1.989 1.00 0.00 ATOM 38 C TRP A 6 1.942 3.188 -2.655 1.00 0.00 ATOM 39 O TRP A 6 1.821 3.357 -3.868 1.00 0.00 ATOM 40 CB TRP A 6 2.719 1.088 -1.567 1.00 0.00 ATOM 41 CG TRP A 6 3.782 0.892 -2.652 1.00 0.00 ATOM 42 CD1 TRP A 6 4.800 1.754 -2.976 1.00 0.00 ATOM 43 CD2 TRP A 6 3.934 -0.246 -3.514 1.00 0.00 ATOM 44 NE1 TRP A 6 5.574 1.221 -3.979 1.00 0.00 ATOM 45 CE2 TRP A 6 5.065 -0.003 -4.329 1.00 0.00 ATOM 46 CE3 TRP A 6 3.229 -1.450 -3.669 1.00 0.00 ATOM 47 CZ2 TRP A 6 5.507 -0.919 -5.289 1.00 0.00 ATOM 48 CZ3 TRP A 6 3.669 -2.359 -4.621 1.00 0.00 ATOM 49 CH2 TRP A 6 4.799 -2.085 -5.419 1.00 0.00 ATOM 50 N ALA A 7 2.491 4.078 -1.838 1.00 0.00 ATOM 51 CA ALA A 7 3.047 5.354 -2.271 1.00 0.00 ATOM 52 C ALA A 7 4.509 5.327 -1.791 1.00 0.00 ATOM 53 O ALA A 7 4.778 5.052 -0.622 1.00 0.00 ATOM 54 CB ALA A 7 2.288 6.522 -1.613 1.00 0.00 ATOM 55 N GLN A 8 5.450 5.583 -2.693 1.00 0.00 ATOM 56 CA GLN A 8 6.860 5.559 -2.331 1.00 0.00 ATOM 57 C GLN A 8 7.632 6.758 -2.847 1.00 0.00 ATOM 58 O GLN A 8 7.283 7.331 -3.880 1.00 0.00 ATOM 59 CB GLN A 8 7.539 4.324 -2.923 1.00 0.00 ATOM 60 CG GLN A 8 7.620 4.364 -4.434 1.00 0.00 ATOM 61 CD GLN A 8 8.529 3.308 -5.000 1.00 0.00 ATOM 62 OE1 GLN A 8 8.129 2.168 -5.184 1.00 0.00 ATOM 63 NE2 GLN A 8 9.765 3.686 -5.296 1.00 0.00 ATOM 64 N ALA A 9 8.690 7.104 -2.113 1.00 0.00 ATOM 65 CA ALA A 9 9.607 8.159 -2.516 1.00 0.00 ATOM 66 C ALA A 9 10.380 7.485 -3.638 1.00 0.00 ATOM 67 O ALA A 9 10.480 6.260 -3.675 1.00 0.00 ATOM 68 CB ALA A 9 10.570 8.523 -1.364 1.00 0.00 ATOM 69 N THR A 10 10.903 8.265 -4.567 1.00 0.00 ATOM 70 CA THR A 10 11.675 7.712 -5.673 1.00 0.00 ATOM 71 C THR A 10 12.703 6.688 -5.168 1.00 0.00 ATOM 72 O THR A 10 12.987 5.686 -5.827 1.00 0.00 ATOM 73 CB THR A 10 12.396 8.862 -6.391 1.00 0.00 ATOM 74 OG1 THR A 10 11.411 9.718 -6.985 1.00 0.00 ATOM 75 CG2 THR A 10 13.361 8.343 -7.452 1.00 0.00 ATOM 76 N SER A 11 13.194 6.925 -3.959 1.00 0.00 ATOM 77 CA SER A 11 14.191 6.086 -3.312 1.00 0.00 ATOM 78 C SER A 11 13.677 4.725 -2.888 1.00 0.00 ATOM 79 O SER A 11 14.466 3.825 -2.601 1.00 0.00 ATOM 80 CB SER A 11 14.721 6.799 -2.079 1.00 0.00 ATOM 81 OG SER A 11 13.709 6.913 -1.093 1.00 0.00 ATOM 82 N GLY A 12 12.356 4.597 -2.784 1.00 0.00 ATOM 83 CA GLY A 12 11.761 3.333 -2.379 1.00 0.00 ATOM 84 C GLY A 12 11.257 3.333 -0.950 1.00 0.00 ATOM 85 O GLY A 12 10.607 2.380 -0.523 1.00 0.00 ATOM 86 N VAL A 13 11.535 4.408 -0.212 1.00 0.00 ATOM 87 CA VAL A 13 11.091 4.521 1.173 1.00 0.00 ATOM 88 C VAL A 13 9.592 4.738 1.196 1.00 0.00 ATOM 89 O VAL A 13 9.078 5.560 0.445 1.00 0.00 ATOM 90 CB VAL A 13 11.782 5.711 1.900 1.00 0.00 ATOM 91 CG1 VAL A 13 11.249 5.869 3.333 1.00 0.00 ATOM 92 CG2 VAL A 13 13.287 5.502 1.916 1.00 0.00 ATOM 93 N ILE A 14 8.888 3.952 2.005 1.00 0.00 ATOM 94 CA ILE A 14 7.449 4.104 2.127 1.00 0.00 ATOM 95 C ILE A 14 7.083 4.445 3.562 1.00 0.00 ATOM 96 O ILE A 14 6.001 4.960 3.822 1.00 0.00 ATOM 97 CB ILE A 14 6.648 2.833 1.700 1.00 0.00 ATOM 98 CG1 ILE A 14 6.988 1.644 2.596 1.00 0.00 ATOM 99 CG2 ILE A 14 6.872 2.524 0.242 1.00 0.00 ATOM 100 CD1 ILE A 14 6.010 0.468 2.490 1.00 0.00 ATOM 101 N GLY A 15 7.994 4.191 4.498 1.00 0.00 ATOM 102 CA GLY A 15 7.699 4.471 5.895 1.00 0.00 ATOM 103 C GLY A 15 8.940 4.712 6.725 1.00 0.00 ATOM 104 O GLY A 15 10.000 4.147 6.452 1.00 0.00 ATOM 105 N ARG A 16 8.804 5.566 7.734 1.00 0.00 ATOM 106 CA ARG A 16 9.905 5.906 8.632 1.00 0.00 ATOM 107 C ARG A 16 9.331 6.375 9.963 1.00 0.00 ATOM 108 O ARG A 16 8.442 7.217 9.985 1.00 0.00 ATOM 109 CB ARG A 16 10.781 7.004 8.026 1.00 0.00 ATOM 110 CG ARG A 16 11.960 7.387 8.905 1.00 0.00 ATOM 111 CD ARG A 16 12.892 8.330 8.189 1.00 0.00 ATOM 112 NE ARG A 16 13.458 7.722 6.993 1.00 0.00 ATOM 113 CZ ARG A 16 14.131 8.394 6.067 1.00 0.00 ATOM 114 NH1 ARG A 16 14.310 9.691 6.204 1.00 0.00 ATOM 115 NH2 ARG A 16 14.642 7.775 5.009 1.00 0.00 ATOM 116 N GLY A 17 9.825 5.814 11.068 1.00 0.00 ATOM 117 CA GLY A 17 9.339 6.191 12.390 1.00 0.00 ATOM 118 C GLY A 17 7.873 5.849 12.592 1.00 0.00 ATOM 119 O GLY A 17 7.176 6.454 13.409 1.00 0.00 ATOM 120 N GLY A 18 7.400 4.869 11.835 1.00 0.00 ATOM 121 CA GLY A 18 6.015 4.474 11.934 1.00 0.00 ATOM 122 C GLY A 18 5.066 5.376 11.166 1.00 0.00 ATOM 123 O GLY A 18 3.859 5.183 11.252 1.00 0.00 ATOM 124 N ASP A 19 5.588 6.326 10.392 1.00 0.00 ATOM 125 CA ASP A 19 4.741 7.244 9.620 1.00 0.00 ATOM 126 C ASP A 19 5.092 7.223 8.138 1.00 0.00 ATOM 127 O ASP A 19 6.038 6.562 7.726 1.00 0.00 ATOM 128 CB ASP A 19 4.943 8.700 10.087 1.00 0.00 ATOM 129 CG ASP A 19 4.688 8.901 11.574 1.00 0.00 ATOM 130 OD1 ASP A 19 5.505 9.604 12.222 1.00 0.00 ATOM 131 OD2 ASP A 19 3.676 8.375 12.088 1.00 0.00 ATOM 132 N ILE A 20 4.278 7.904 7.338 1.00 0.00 ATOM 133 CA ILE A 20 4.557 8.060 5.921 1.00 0.00 ATOM 134 C ILE A 20 5.328 9.381 5.998 1.00 0.00 ATOM 135 O ILE A 20 4.806 10.369 6.504 1.00 0.00 ATOM 136 CB ILE A 20 3.279 8.207 5.094 1.00 0.00 ATOM 137 CG1 ILE A 20 2.551 6.858 5.032 1.00 0.00 ATOM 138 CG2 ILE A 20 3.613 8.681 3.705 1.00 0.00 ATOM 139 CD1 ILE A 20 1.351 6.819 4.092 1.00 0.00 ATOM 140 N PRO A 21 6.577 9.414 5.506 1.00 0.00 ATOM 141 CA PRO A 21 7.424 10.608 5.542 1.00 0.00 ATOM 142 C PRO A 21 7.161 11.744 4.554 1.00 0.00 ATOM 143 O PRO A 21 8.101 12.386 4.085 1.00 0.00 ATOM 144 CB PRO A 21 8.841 10.039 5.361 1.00 0.00 ATOM 145 CG PRO A 21 8.653 8.531 5.121 1.00 0.00 ATOM 146 CD PRO A 21 7.228 8.354 4.725 1.00 0.00 ATOM 147 N TRP A 22 5.899 11.999 4.242 1.00 0.00 ATOM 148 CA TRP A 22 5.542 13.081 3.325 1.00 0.00 ATOM 149 C TRP A 22 4.056 13.356 3.383 1.00 0.00 ATOM 150 O TRP A 22 3.289 12.556 3.909 1.00 0.00 ATOM 151 CB TRP A 22 5.946 12.765 1.874 1.00 0.00 ATOM 152 CG TRP A 22 5.300 11.539 1.284 1.00 0.00 ATOM 153 CD1 TRP A 22 4.031 11.431 0.797 1.00 0.00 ATOM 154 CD2 TRP A 22 5.895 10.246 1.137 1.00 0.00 ATOM 155 NE1 TRP A 22 3.796 10.146 0.361 1.00 0.00 ATOM 156 CE2 TRP A 22 4.923 9.399 0.560 1.00 0.00 ATOM 157 CE3 TRP A 22 7.158 9.716 1.445 1.00 0.00 ATOM 158 CZ2 TRP A 22 5.171 8.056 0.285 1.00 0.00 ATOM 159 CZ3 TRP A 22 7.400 8.369 1.168 1.00 0.00 ATOM 160 CH2 TRP A 22 6.409 7.561 0.597 1.00 0.00 ATOM 161 N ARG A 23 3.665 14.501 2.840 1.00 0.00 ATOM 162 CA ARG A 23 2.262 14.893 2.793 1.00 0.00 ATOM 163 C ARG A 23 1.862 14.994 1.332 1.00 0.00 ATOM 164 O ARG A 23 2.514 15.679 0.538 1.00 0.00 ATOM 165 CB ARG A 23 1.993 16.228 3.514 1.00 0.00 ATOM 166 CG ARG A 23 3.174 16.877 4.228 1.00 0.00 ATOM 167 CD ARG A 23 4.185 17.444 3.223 1.00 0.00 ATOM 168 NE ARG A 23 5.295 16.523 2.965 1.00 0.00 ATOM 169 CZ ARG A 23 6.397 16.843 2.292 1.00 0.00 ATOM 170 NH1 ARG A 23 6.545 18.062 1.783 1.00 0.00 ATOM 171 NH2 ARG A 23 7.392 15.970 2.192 1.00 0.00 ATOM 172 N LEU A 24 0.805 14.271 0.985 1.00 0.00 ATOM 173 CA LEU A 24 0.281 14.219 -0.371 1.00 0.00 ATOM 174 C LEU A 24 -1.200 13.995 -0.195 1.00 0.00 ATOM 175 O LEU A 24 -1.671 12.863 -0.223 1.00 0.00 ATOM 176 CB LEU A 24 0.902 13.035 -1.135 1.00 0.00 ATOM 177 CG LEU A 24 0.633 12.905 -2.635 1.00 0.00 ATOM 178 CD1 LEU A 24 1.054 14.154 -3.341 1.00 0.00 ATOM 179 CD2 LEU A 24 1.411 11.758 -3.197 1.00 0.00 ATOM 180 N PRO A 25 -1.959 15.078 0.009 1.00 0.00 ATOM 181 CA PRO A 25 -3.407 15.018 0.204 1.00 0.00 ATOM 182 C PRO A 25 -4.194 14.334 -0.910 1.00 0.00 ATOM 183 O PRO A 25 -5.222 13.722 -0.635 1.00 0.00 ATOM 184 CB PRO A 25 -3.788 16.486 0.385 1.00 0.00 ATOM 185 CG PRO A 25 -2.724 17.222 -0.371 1.00 0.00 ATOM 186 CD PRO A 25 -1.488 16.473 0.021 1.00 0.00 ATOM 187 N GLU A 26 -3.696 14.383 -2.144 1.00 0.00 ATOM 188 CA GLU A 26 -4.383 13.750 -3.274 1.00 0.00 ATOM 189 C GLU A 26 -4.278 12.226 -3.254 1.00 0.00 ATOM 190 O GLU A 26 -4.952 11.535 -4.023 1.00 0.00 ATOM 191 CB GLU A 26 -3.813 14.248 -4.603 1.00 0.00 ATOM 192 CG GLU A 26 -3.989 15.732 -4.844 1.00 0.00 ATOM 193 CD GLU A 26 -2.898 16.573 -4.223 1.00 0.00 ATOM 194 OE1 GLU A 26 -2.070 16.028 -3.462 1.00 0.00 ATOM 195 OE2 GLU A 26 -2.867 17.793 -4.509 1.00 0.00 ATOM 196 N ASP A 27 -3.400 11.714 -2.400 1.00 0.00 ATOM 197 CA ASP A 27 -3.174 10.279 -2.296 1.00 0.00 ATOM 198 C ASP A 27 -4.391 9.570 -1.732 1.00 0.00 ATOM 199 O ASP A 27 -4.848 8.566 -2.276 1.00 0.00 ATOM 200 CB ASP A 27 -1.938 10.018 -1.423 1.00 0.00 ATOM 201 CG ASP A 27 -1.631 8.537 -1.236 1.00 0.00 ATOM 202 OD1 ASP A 27 -1.279 7.852 -2.212 1.00 0.00 ATOM 203 OD2 ASP A 27 -1.709 8.063 -0.089 1.00 0.00 ATOM 204 N GLN A 28 -4.946 10.149 -0.678 1.00 0.00 ATOM 205 CA GLN A 28 -6.104 9.590 0.013 1.00 0.00 ATOM 206 C GLN A 28 -7.252 9.211 -0.914 1.00 0.00 ATOM 207 O GLN A 28 -7.851 8.144 -0.766 1.00 0.00 ATOM 208 CB GLN A 28 -6.584 10.582 1.074 1.00 0.00 ATOM 209 CG GLN A 28 -5.429 11.160 1.904 1.00 0.00 ATOM 210 CD GLN A 28 -5.753 12.517 2.536 1.00 0.00 ATOM 211 OE1 GLN A 28 -6.578 13.292 2.020 1.00 0.00 ATOM 212 NE2 GLN A 28 -5.081 12.822 3.649 1.00 0.00 ATOM 213 N ALA A 29 -7.536 10.082 -1.879 1.00 0.00 ATOM 214 CA ALA A 29 -8.618 9.872 -2.829 1.00 0.00 ATOM 215 C ALA A 29 -8.303 8.806 -3.862 1.00 0.00 ATOM 216 O ALA A 29 -9.203 8.103 -4.319 1.00 0.00 ATOM 217 CB ALA A 29 -8.972 11.177 -3.507 1.00 0.00 ATOM 218 N HIS A 30 -7.044 8.718 -4.285 1.00 0.00 ATOM 219 CA HIS A 30 -6.665 7.697 -5.257 1.00 0.00 ATOM 220 C HIS A 30 -6.693 6.320 -4.573 1.00 0.00 ATOM 221 O HIS A 30 -7.133 5.326 -5.146 1.00 0.00 ATOM 222 CB HIS A 30 -5.277 7.966 -5.839 1.00 0.00 ATOM 223 CG HIS A 30 -4.825 6.897 -6.785 1.00 0.00 ATOM 224 ND1 HIS A 30 -3.750 6.071 -6.519 1.00 0.00 ATOM 225 CD2 HIS A 30 -5.347 6.468 -7.957 1.00 0.00 ATOM 226 CE1 HIS A 30 -3.633 5.179 -7.487 1.00 0.00 ATOM 227 NE2 HIS A 30 -4.588 5.397 -8.372 1.00 0.00 ATOM 228 N PHE A 31 -6.206 6.277 -3.343 1.00 0.00 ATOM 229 CA PHE A 31 -6.192 5.053 -2.560 1.00 0.00 ATOM 230 C PHE A 31 -7.633 4.585 -2.367 1.00 0.00 ATOM 231 O PHE A 31 -7.949 3.413 -2.574 1.00 0.00 ATOM 232 CB PHE A 31 -5.520 5.331 -1.210 1.00 0.00 ATOM 233 CG PHE A 31 -5.630 4.207 -0.216 1.00 0.00 ATOM 234 CD1 PHE A 31 -4.886 3.042 -0.370 1.00 0.00 ATOM 235 CD2 PHE A 31 -6.469 4.325 0.885 1.00 0.00 ATOM 236 CE1 PHE A 31 -4.972 2.014 0.556 1.00 0.00 ATOM 237 CE2 PHE A 31 -6.560 3.303 1.821 1.00 0.00 ATOM 238 CZ PHE A 31 -5.805 2.139 1.653 1.00 0.00 ATOM 239 N ARG A 32 -8.509 5.519 -2.010 1.00 0.00 ATOM 240 CA ARG A 32 -9.917 5.229 -1.786 1.00 0.00 ATOM 241 C ARG A 32 -10.570 4.670 -3.044 1.00 0.00 ATOM 242 O ARG A 32 -11.207 3.620 -3.008 1.00 0.00 ATOM 243 CB ARG A 32 -10.645 6.504 -1.341 1.00 0.00 ATOM 244 CG ARG A 32 -12.093 6.299 -0.929 1.00 0.00 ATOM 245 CD ARG A 32 -12.817 7.625 -0.717 1.00 0.00 ATOM 246 NE ARG A 32 -14.239 7.447 -0.370 1.00 0.00 ATOM 247 CZ ARG A 32 -15.183 6.942 -1.175 1.00 0.00 ATOM 248 NH1 ARG A 32 -14.887 6.545 -2.408 1.00 0.00 ATOM 249 NH2 ARG A 32 -16.433 6.822 -0.737 1.00 0.00 ATOM 250 N GLU A 33 -10.348 5.350 -4.164 1.00 0.00 ATOM 251 CA GLU A 33 -10.913 4.971 -5.445 1.00 0.00 ATOM 252 C GLU A 33 -10.592 3.528 -5.824 1.00 0.00 ATOM 253 O GLU A 33 -11.457 2.794 -6.302 1.00 0.00 ATOM 254 CB GLU A 33 -10.398 5.930 -6.529 1.00 0.00 ATOM 255 CG GLU A 33 -11.332 6.143 -7.718 1.00 0.00 ATOM 256 CD GLU A 33 -11.653 4.853 -8.465 1.00 0.00 ATOM 257 OE1 GLU A 33 -10.734 4.296 -9.114 1.00 0.00 ATOM 258 OE2 GLU A 33 -12.818 4.384 -8.385 1.00 0.00 ATOM 259 N ILE A 34 -9.354 3.118 -5.582 1.00 0.00 ATOM 260 CA ILE A 34 -8.901 1.777 -5.929 1.00 0.00 ATOM 261 C ILE A 34 -9.386 0.692 -4.964 1.00 0.00 ATOM 262 O ILE A 34 -9.823 -0.386 -5.395 1.00 0.00 ATOM 263 CB ILE A 34 -7.343 1.748 -6.011 1.00 0.00 ATOM 264 CG1 ILE A 34 -6.848 2.478 -7.270 1.00 0.00 ATOM 265 CG2 ILE A 34 -6.813 0.328 -5.939 1.00 0.00 ATOM 266 CD1 ILE A 34 -7.175 1.780 -8.566 1.00 0.00 ATOM 267 N THR A 35 -9.341 0.996 -3.669 1.00 0.00 ATOM 268 CA THR A 35 -9.709 0.037 -2.634 1.00 0.00 ATOM 269 C THR A 35 -11.167 -0.058 -2.203 1.00 0.00 ATOM 270 O THR A 35 -11.588 -1.093 -1.691 1.00 0.00 ATOM 271 CB THR A 35 -8.831 0.239 -1.366 1.00 0.00 ATOM 272 OG1 THR A 35 -9.074 1.530 -0.780 1.00 0.00 ATOM 273 CG2 THR A 35 -7.357 0.114 -1.723 1.00 0.00 ATOM 274 N MET A 36 -11.944 0.997 -2.430 1.00 0.00 ATOM 275 CA MET A 36 -13.336 1.027 -1.993 1.00 0.00 ATOM 276 C MET A 36 -14.174 -0.193 -2.371 1.00 0.00 ATOM 277 O MET A 36 -14.125 -0.665 -3.497 1.00 0.00 ATOM 278 CB MET A 36 -14.010 2.316 -2.471 1.00 0.00 ATOM 279 CG MET A 36 -15.363 2.562 -1.818 1.00 0.00 ATOM 280 SD MET A 36 -15.317 2.566 -0.000 1.00 0.00 ATOM 281 CE MET A 36 -14.159 3.876 0.311 1.00 0.00 ATOM 282 N GLY A 37 -14.916 -0.721 -1.396 1.00 0.00 ATOM 283 CA GLY A 37 -15.761 -1.880 -1.632 1.00 0.00 ATOM 284 C GLY A 37 -15.056 -3.229 -1.665 1.00 0.00 ATOM 285 O GLY A 37 -15.703 -4.259 -1.875 1.00 0.00 ATOM 286 N HIS A 38 -13.744 -3.248 -1.455 1.00 0.00 ATOM 287 CA HIS A 38 -13.010 -4.505 -1.491 1.00 0.00 ATOM 288 C HIS A 38 -12.480 -4.894 -0.138 1.00 0.00 ATOM 289 O HIS A 38 -12.702 -4.211 0.850 1.00 0.00 ATOM 290 CB HIS A 38 -11.841 -4.432 -2.482 1.00 0.00 ATOM 291 CG HIS A 38 -12.260 -4.148 -3.890 1.00 0.00 ATOM 292 ND1 HIS A 38 -13.173 -4.932 -4.566 1.00 0.00 ATOM 293 CD2 HIS A 38 -11.940 -3.136 -4.728 1.00 0.00 ATOM 294 CE1 HIS A 38 -13.403 -4.409 -5.756 1.00 0.00 ATOM 295 NE2 HIS A 38 -12.668 -3.319 -5.879 1.00 0.00 ATOM 296 N THR A 39 -11.869 -6.067 -0.084 1.00 0.00 ATOM 297 CA THR A 39 -11.259 -6.529 1.142 1.00 0.00 ATOM 298 C THR A 39 -9.863 -5.925 1.094 1.00 0.00 ATOM 299 O THR A 39 -9.238 -5.868 0.027 1.00 0.00 ATOM 300 CB THR A 39 -11.154 -8.081 1.181 1.00 0.00 ATOM 301 OG1 THR A 39 -12.449 -8.637 1.411 1.00 0.00 ATOM 302 CG2 THR A 39 -10.218 -8.543 2.296 1.00 0.00 ATOM 303 N ILE A 40 -9.410 -5.393 2.225 1.00 0.00 ATOM 304 CA ILE A 40 -8.068 -4.826 2.301 1.00 0.00 ATOM 305 C ILE A 40 -7.246 -5.562 3.363 1.00 0.00 ATOM 306 O ILE A 40 -7.737 -5.844 4.452 1.00 0.00 ATOM 307 CB ILE A 40 -8.098 -3.308 2.591 1.00 0.00 ATOM 308 CG1 ILE A 40 -8.798 -3.031 3.911 1.00 0.00 ATOM 309 CG2 ILE A 40 -8.824 -2.573 1.463 1.00 0.00 ATOM 310 CD1 ILE A 40 -8.736 -1.604 4.296 1.00 0.00 ATOM 311 N VAL A 41 -6.025 -5.942 3.003 1.00 0.00 ATOM 312 CA VAL A 41 -5.128 -6.650 3.913 1.00 0.00 ATOM 313 C VAL A 41 -3.934 -5.778 4.331 1.00 0.00 ATOM 314 O VAL A 41 -3.319 -5.111 3.509 1.00 0.00 ATOM 315 CB VAL A 41 -4.654 -7.973 3.274 1.00 0.00 ATOM 316 CG1 VAL A 41 -3.593 -8.651 4.140 1.00 0.00 ATOM 317 CG2 VAL A 41 -5.835 -8.881 3.094 1.00 0.00 ATOM 318 N MET A 42 -3.626 -5.774 5.623 1.00 0.00 ATOM 319 CA MET A 42 -2.522 -4.979 6.127 1.00 0.00 ATOM 320 C MET A 42 -1.817 -5.675 7.293 1.00 0.00 ATOM 321 O MET A 42 -2.404 -6.524 7.968 1.00 0.00 ATOM 322 CB MET A 42 -3.051 -3.626 6.609 1.00 0.00 ATOM 323 CG MET A 42 -3.849 -3.719 7.916 1.00 0.00 ATOM 324 SD MET A 42 -4.709 -2.223 8.288 1.00 0.00 ATOM 325 CE MET A 42 -6.237 -2.544 7.404 1.00 0.00 ATOM 326 N GLY A 43 -0.551 -5.326 7.506 1.00 0.00 ATOM 327 CA GLY A 43 0.185 -5.871 8.631 1.00 0.00 ATOM 328 C GLY A 43 -0.224 -5.129 9.890 1.00 0.00 ATOM 329 O GLY A 43 -0.690 -3.997 9.826 1.00 0.00 ATOM 330 N ARG A 44 -0.031 -5.757 11.043 1.00 0.00 ATOM 331 CA ARG A 44 -0.402 -5.174 12.326 1.00 0.00 ATOM 332 C ARG A 44 0.132 -3.763 12.530 1.00 0.00 ATOM 333 O ARG A 44 -0.547 -2.894 13.077 1.00 0.00 ATOM 334 CB ARG A 44 0.074 -6.106 13.450 1.00 0.00 ATOM 335 CG ARG A 44 -0.524 -5.833 14.825 1.00 0.00 ATOM 336 CD ARG A 44 0.373 -4.957 15.655 1.00 0.00 ATOM 337 NE ARG A 44 1.670 -5.592 15.869 1.00 0.00 ATOM 338 CZ ARG A 44 2.760 -4.945 16.274 1.00 0.00 ATOM 339 NH1 ARG A 44 2.717 -3.642 16.513 1.00 0.00 ATOM 340 NH2 ARG A 44 3.899 -5.600 16.426 1.00 0.00 ATOM 341 N ARG A 45 1.361 -3.531 12.105 1.00 0.00 ATOM 342 CA ARG A 45 1.953 -2.214 12.262 1.00 0.00 ATOM 343 C ARG A 45 1.273 -1.156 11.412 1.00 0.00 ATOM 344 O ARG A 45 1.250 0.018 11.788 1.00 0.00 ATOM 345 CB ARG A 45 3.433 -2.250 11.946 1.00 0.00 ATOM 346 CG ARG A 45 4.264 -2.998 12.936 1.00 0.00 ATOM 347 CD ARG A 45 5.688 -2.749 12.567 1.00 0.00 ATOM 348 NE ARG A 45 6.623 -3.333 13.499 1.00 0.00 ATOM 349 CZ ARG A 45 7.877 -3.628 13.178 1.00 0.00 ATOM 350 NH1 ARG A 45 8.320 -3.384 11.948 1.00 0.00 ATOM 351 NH2 ARG A 45 8.685 -4.177 14.080 1.00 0.00 ATOM 352 N THR A 46 0.782 -1.540 10.236 1.00 0.00 ATOM 353 CA THR A 46 0.077 -0.582 9.390 1.00 0.00 ATOM 354 C THR A 46 -1.250 -0.245 10.080 1.00 0.00 ATOM 355 O THR A 46 -1.678 0.907 10.107 1.00 0.00 ATOM 356 CB THR A 46 -0.154 -1.140 7.971 1.00 0.00 ATOM 357 OG1 THR A 46 1.106 -1.230 7.298 1.00 0.00 ATOM 358 CG2 THR A 46 -1.048 -0.223 7.166 1.00 0.00 ATOM 359 N TRP A 47 -1.872 -1.256 10.679 1.00 0.00 ATOM 360 CA TRP A 47 -3.115 -1.055 11.402 1.00 0.00 ATOM 361 C TRP A 47 -2.878 -0.041 12.524 1.00 0.00 ATOM 362 O TRP A 47 -3.661 0.889 12.690 1.00 0.00 ATOM 363 CB TRP A 47 -3.612 -2.376 11.994 1.00 0.00 ATOM 364 CG TRP A 47 -4.765 -2.169 12.941 1.00 0.00 ATOM 365 CD1 TRP A 47 -4.698 -2.091 14.300 1.00 0.00 ATOM 366 CD2 TRP A 47 -6.158 -2.025 12.597 1.00 0.00 ATOM 367 NE1 TRP A 47 -5.957 -1.911 14.825 1.00 0.00 ATOM 368 CE2 TRP A 47 -6.871 -1.876 13.803 1.00 0.00 ATOM 369 CE3 TRP A 47 -6.873 -2.024 11.387 1.00 0.00 ATOM 370 CZ2 TRP A 47 -8.269 -1.728 13.839 1.00 0.00 ATOM 371 CZ3 TRP A 47 -8.268 -1.876 11.421 1.00 0.00 ATOM 372 CH2 TRP A 47 -8.944 -1.731 12.640 1.00 0.00 ATOM 373 N ASP A 48 -1.801 -0.233 13.294 1.00 0.00 ATOM 374 CA ASP A 48 -1.444 0.680 14.389 1.00 0.00 ATOM 375 C ASP A 48 -1.166 2.086 13.871 1.00 0.00 ATOM 376 O ASP A 48 -1.431 3.070 14.551 1.00 0.00 ATOM 377 CB ASP A 48 -0.210 0.176 15.141 1.00 0.00 ATOM 378 CG ASP A 48 -0.474 -1.104 15.924 1.00 0.00 ATOM 379 OD1 ASP A 48 0.508 -1.822 16.198 1.00 0.00 ATOM 380 OD2 ASP A 48 -1.640 -1.395 16.276 1.00 0.00 ATOM 381 N SER A 49 -0.650 2.164 12.649 1.00 0.00 ATOM 382 CA SER A 49 -0.326 3.424 11.995 1.00 0.00 ATOM 383 C SER A 49 -1.577 4.215 11.592 1.00 0.00 ATOM 384 O SER A 49 -1.538 5.435 11.460 1.00 0.00 ATOM 385 CB SER A 49 0.535 3.136 10.761 1.00 0.00 ATOM 386 OG SER A 49 1.005 4.326 10.156 1.00 0.00 ATOM 387 N LEU A 50 -2.687 3.524 11.373 1.00 0.00 ATOM 388 CA LEU A 50 -3.911 4.210 10.987 1.00 0.00 ATOM 389 C LEU A 50 -4.449 5.055 12.142 1.00 0.00 ATOM 390 O LEU A 50 -4.480 4.600 13.294 1.00 0.00 ATOM 391 CB LEU A 50 -4.985 3.201 10.565 1.00 0.00 ATOM 392 CG LEU A 50 -4.779 2.349 9.315 1.00 0.00 ATOM 393 CD1 LEU A 50 -5.925 1.369 9.172 1.00 0.00 ATOM 394 CD2 LEU A 50 -4.684 3.244 8.100 1.00 0.00 ATOM 395 N PRO A 51 -4.837 6.317 11.863 1.00 0.00 ATOM 396 CA PRO A 51 -5.379 7.165 12.932 1.00 0.00 ATOM 397 C PRO A 51 -6.633 6.473 13.484 1.00 0.00 ATOM 398 O PRO A 51 -7.413 5.888 12.723 1.00 0.00 ATOM 399 CB PRO A 51 -5.748 8.447 12.189 1.00 0.00 ATOM 400 CG PRO A 51 -4.734 8.504 11.088 1.00 0.00 ATOM 401 CD PRO A 51 -4.709 7.073 10.601 1.00 0.00 ATOM 402 N ALA A 52 -6.809 6.515 14.801 1.00 0.00 ATOM 403 CA ALA A 52 -7.959 5.886 15.450 1.00 0.00 ATOM 404 C ALA A 52 -9.321 6.300 14.895 1.00 0.00 ATOM 405 O ALA A 52 -10.250 5.496 14.841 1.00 0.00 ATOM 406 CB ALA A 52 -7.916 6.148 16.934 1.00 0.00 ATOM 407 N LYS A 53 -9.445 7.549 14.469 1.00 0.00 ATOM 408 CA LYS A 53 -10.711 8.026 13.938 1.00 0.00 ATOM 409 C LYS A 53 -11.013 7.506 12.543 1.00 0.00 ATOM 410 O LYS A 53 -12.160 7.531 12.119 1.00 0.00 ATOM 411 CB LYS A 53 -10.767 9.555 13.960 1.00 0.00 ATOM 412 CG LYS A 53 -9.831 10.241 12.993 1.00 0.00 ATOM 413 CD LYS A 53 -9.901 11.752 13.143 1.00 0.00 ATOM 414 CE LYS A 53 -9.174 12.463 11.995 1.00 0.00 ATOM 415 NZ LYS A 53 -7.769 11.964 11.782 1.00 0.00 ATOM 416 N VAL A 54 -9.999 7.024 11.830 1.00 0.00 ATOM 417 CA VAL A 54 -10.225 6.516 10.472 1.00 0.00 ATOM 418 C VAL A 54 -10.237 4.989 10.334 1.00 0.00 ATOM 419 O VAL A 54 -10.530 4.483 9.260 1.00 0.00 ATOM 420 CB VAL A 54 -9.221 7.125 9.416 1.00 0.00 ATOM 421 CG1 VAL A 54 -8.982 8.609 9.679 1.00 0.00 ATOM 422 CG2 VAL A 54 -7.902 6.364 9.385 1.00 0.00 ATOM 423 N ARG A 55 -9.949 4.256 11.409 1.00 0.00 ATOM 424 CA ARG A 55 -9.922 2.798 11.350 1.00 0.00 ATOM 425 C ARG A 55 -11.078 2.142 12.099 1.00 0.00 ATOM 426 O ARG A 55 -11.422 2.557 13.202 1.00 0.00 ATOM 427 CB ARG A 55 -8.614 2.275 11.917 1.00 0.00 ATOM 428 CG ARG A 55 -8.538 2.416 13.398 1.00 0.00 ATOM 429 CD ARG A 55 -7.536 1.488 13.973 1.00 0.00 ATOM 430 NE ARG A 55 -6.330 2.195 14.352 1.00 0.00 ATOM 431 CZ ARG A 55 -5.609 1.915 15.430 1.00 0.00 ATOM 432 NH1 ARG A 55 -5.975 0.939 16.245 1.00 0.00 ATOM 433 NH2 ARG A 55 -4.509 2.606 15.688 1.00 0.00 ATOM 434 N PRO A 56 -11.656 1.065 11.538 1.00 0.00 ATOM 435 CA PRO A 56 -11.284 0.452 10.263 1.00 0.00 ATOM 436 C PRO A 56 -11.656 1.357 9.102 1.00 0.00 ATOM 437 O PRO A 56 -12.540 2.198 9.230 1.00 0.00 ATOM 438 CB PRO A 56 -12.124 -0.819 10.250 1.00 0.00 ATOM 439 CG PRO A 56 -13.365 -0.389 10.950 1.00 0.00 ATOM 440 CD PRO A 56 -12.799 0.347 12.136 1.00 0.00 ATOM 441 N LEU A 57 -10.941 1.226 7.990 1.00 0.00 ATOM 442 CA LEU A 57 -11.234 2.025 6.813 1.00 0.00 ATOM 443 C LEU A 57 -12.651 1.688 6.367 1.00 0.00 ATOM 444 O LEU A 57 -12.974 0.516 6.137 1.00 0.00 ATOM 445 CB LEU A 57 -10.241 1.709 5.706 1.00 0.00 ATOM 446 CG LEU A 57 -8.825 2.091 6.091 1.00 0.00 ATOM 447 CD1 LEU A 57 -7.869 1.764 4.955 1.00 0.00 ATOM 448 CD2 LEU A 57 -8.806 3.584 6.403 1.00 0.00 ATOM 449 N PRO A 58 -13.518 2.714 6.246 1.00 0.00 ATOM 450 CA PRO A 58 -14.922 2.568 5.838 1.00 0.00 ATOM 451 C PRO A 58 -15.152 2.033 4.430 1.00 0.00 ATOM 452 O PRO A 58 -14.392 2.352 3.512 1.00 0.00 ATOM 453 CB PRO A 58 -15.466 3.998 5.978 1.00 0.00 ATOM 454 CG PRO A 58 -14.569 4.612 7.018 1.00 0.00 ATOM 455 CD PRO A 58 -13.221 4.116 6.581 1.00 0.00 ATOM 456 N GLY A 59 -16.188 1.207 4.273 1.00 0.00 ATOM 457 CA GLY A 59 -16.538 0.674 2.968 1.00 0.00 ATOM 458 C GLY A 59 -15.651 -0.430 2.449 1.00 0.00 ATOM 459 O GLY A 59 -15.702 -0.770 1.268 1.00 0.00 ATOM 460 N ARG A 60 -14.860 -1.013 3.339 1.00 0.00 ATOM 461 CA ARG A 60 -13.938 -2.072 2.967 1.00 0.00 ATOM 462 C ARG A 60 -13.843 -3.049 4.100 1.00 0.00 ATOM 463 O ARG A 60 -14.011 -2.674 5.247 1.00 0.00 ATOM 464 CB ARG A 60 -12.551 -1.477 2.704 1.00 0.00 ATOM 465 CG ARG A 60 -12.440 -0.769 1.375 1.00 0.00 ATOM 466 CD ARG A 60 -11.445 0.351 1.413 1.00 0.00 ATOM 467 NE ARG A 60 -11.917 1.462 2.234 1.00 0.00 ATOM 468 CZ ARG A 60 -11.303 2.637 2.340 1.00 0.00 ATOM 469 NH1 ARG A 60 -10.178 2.870 1.671 1.00 0.00 ATOM 470 NH2 ARG A 60 -11.817 3.574 3.122 1.00 0.00 ATOM 471 N ARG A 61 -13.609 -4.313 3.786 1.00 0.00 ATOM 472 CA ARG A 61 -13.460 -5.315 4.828 1.00 0.00 ATOM 473 C ARG A 61 -11.980 -5.276 5.234 1.00 0.00 ATOM 474 O ARG A 61 -11.101 -5.585 4.434 1.00 0.00 ATOM 475 CB ARG A 61 -13.856 -6.696 4.297 1.00 0.00 ATOM 476 CG ARG A 61 -13.758 -7.814 5.329 1.00 0.00 ATOM 477 CD ARG A 61 -14.137 -9.141 4.721 1.00 0.00 ATOM 478 NE ARG A 61 -14.057 -10.216 5.706 1.00 0.00 ATOM 479 CZ ARG A 61 -14.095 -11.514 5.414 1.00 0.00 ATOM 480 NH1 ARG A 61 -14.213 -11.916 4.156 1.00 0.00 ATOM 481 NH2 ARG A 61 -14.000 -12.418 6.383 1.00 0.00 ATOM 482 N ASN A 62 -11.709 -4.825 6.456 1.00 0.00 ATOM 483 CA ASN A 62 -10.345 -4.695 6.947 1.00 0.00 ATOM 484 C ASN A 62 -9.805 -5.974 7.522 1.00 0.00 ATOM 485 O ASN A 62 -10.383 -6.528 8.461 1.00 0.00 ATOM 486 CB ASN A 62 -10.275 -3.632 8.023 1.00 0.00 ATOM 487 CG ASN A 62 -10.497 -2.253 7.486 1.00 0.00 ATOM 488 OD1 ASN A 62 -11.431 -2.008 6.709 1.00 0.00 ATOM 489 ND2 ASN A 62 -9.667 -1.322 7.919 1.00 0.00 ATOM 490 N VAL A 63 -8.697 -6.450 6.962 1.00 0.00 ATOM 491 CA VAL A 63 -8.078 -7.681 7.446 1.00 0.00 ATOM 492 C VAL A 63 -6.675 -7.343 7.939 1.00 0.00 ATOM 493 O VAL A 63 -5.899 -6.733 7.214 1.00 0.00 ATOM 494 CB VAL A 63 -8.008 -8.772 6.342 1.00 0.00 ATOM 495 CG1 VAL A 63 -7.379 -10.058 6.901 1.00 0.00 ATOM 496 CG2 VAL A 63 -9.408 -9.082 5.804 1.00 0.00 ATOM 497 N VAL A 64 -6.374 -7.720 9.183 1.00 0.00 ATOM 498 CA VAL A 64 -5.079 -7.453 9.792 1.00 0.00 ATOM 499 C VAL A 64 -4.314 -8.740 10.085 1.00 0.00 ATOM 500 O VAL A 64 -4.818 -9.642 10.764 1.00 0.00 ATOM 501 CB VAL A 64 -5.248 -6.680 11.095 1.00 0.00 ATOM 502 CG1 VAL A 64 -3.896 -6.267 11.643 1.00 0.00 ATOM 503 CG2 VAL A 64 -6.118 -5.471 10.865 1.00 0.00 ATOM 504 N LEU A 65 -3.088 -8.814 9.576 1.00 0.00 ATOM 505 CA LEU A 65 -2.235 -9.976 9.750 1.00 0.00 ATOM 506 C LEU A 65 -1.404 -9.800 11.020 1.00 0.00 ATOM 507 O LEU A 65 -0.736 -8.778 11.183 1.00 0.00 ATOM 508 CB LEU A 65 -1.297 -10.071 8.552 1.00 0.00 ATOM 509 CG LEU A 65 -1.171 -11.348 7.738 1.00 0.00 ATOM 510 CD1 LEU A 65 0.089 -11.237 6.907 1.00 0.00 ATOM 511 CD2 LEU A 65 -1.058 -12.551 8.640 1.00 0.00 ATOM 512 N SER A 66 -1.443 -10.783 11.918 1.00 0.00 ATOM 513 CA SER A 66 -0.666 -10.726 13.156 1.00 0.00 ATOM 514 C SER A 66 -0.295 -12.122 13.638 1.00 0.00 ATOM 515 O SER A 66 -1.009 -13.086 13.377 1.00 0.00 ATOM 516 CB SER A 66 -1.451 -10.002 14.254 1.00 0.00 ATOM 517 OG SER A 66 -0.722 -9.979 15.473 1.00 0.00 ATOM 518 N ARG A 67 0.848 -12.245 14.300 1.00 0.00 ATOM 519 CA ARG A 67 1.250 -13.547 14.827 1.00 0.00 ATOM 520 C ARG A 67 0.671 -13.787 16.218 1.00 0.00 ATOM 521 O ARG A 67 0.778 -14.883 16.756 1.00 0.00 ATOM 522 CB ARG A 67 2.762 -13.694 14.858 1.00 0.00 ATOM 523 CG ARG A 67 3.361 -13.965 13.499 1.00 0.00 ATOM 524 CD ARG A 67 4.769 -14.535 13.631 1.00 0.00 ATOM 525 NE ARG A 67 5.415 -14.674 12.338 1.00 0.00 ATOM 526 CZ ARG A 67 5.989 -13.670 11.698 1.00 0.00 ATOM 527 NH1 ARG A 67 5.997 -12.459 12.240 1.00 0.00 ATOM 528 NH2 ARG A 67 6.532 -13.871 10.509 1.00 0.00 ATOM 529 N GLN A 68 0.096 -12.746 16.812 1.00 0.00 ATOM 530 CA GLN A 68 -0.523 -12.850 18.128 1.00 0.00 ATOM 531 C GLN A 68 -1.953 -13.346 17.908 1.00 0.00 ATOM 532 O GLN A 68 -2.752 -12.677 17.235 1.00 0.00 ATOM 533 CB GLN A 68 -0.576 -11.477 18.787 1.00 0.00 ATOM 534 CG GLN A 68 0.740 -10.734 18.790 1.00 0.00 ATOM 535 CD GLN A 68 0.580 -9.314 19.283 1.00 0.00 ATOM 536 OE1 GLN A 68 -0.143 -9.058 20.254 1.00 0.00 ATOM 537 NE2 GLN A 68 1.231 -8.375 18.605 1.00 0.00 ATOM 538 N ALA A 69 -2.282 -14.518 18.444 1.00 0.00 ATOM 539 CA ALA A 69 -3.633 -15.048 18.272 1.00 0.00 ATOM 540 C ALA A 69 -4.650 -14.208 19.042 1.00 0.00 ATOM 541 O ALA A 69 -5.828 -14.185 18.703 1.00 0.00 ATOM 542 CB ALA A 69 -3.694 -16.493 18.722 1.00 0.00 ATOM 543 N ASP A 70 -4.156 -13.463 20.027 1.00 0.00 ATOM 544 CA ASP A 70 -4.957 -12.602 20.899 1.00 0.00 ATOM 545 C ASP A 70 -5.062 -11.130 20.464 1.00 0.00 ATOM 546 O ASP A 70 -5.618 -10.317 21.204 1.00 0.00 ATOM 547 CB ASP A 70 -4.301 -12.595 22.278 1.00 0.00 ATOM 548 CG ASP A 70 -2.886 -11.993 22.239 1.00 0.00 ATOM 549 OD1 ASP A 70 -1.996 -12.610 21.596 1.00 0.00 ATOM 550 OD2 ASP A 70 -2.672 -10.889 22.809 1.00 0.00 ATOM 551 N PHE A 71 -4.484 -10.763 19.320 1.00 0.00 ATOM 552 CA PHE A 71 -4.517 -9.361 18.907 1.00 0.00 ATOM 553 C PHE A 71 -5.921 -8.788 18.767 1.00 0.00 ATOM 554 O PHE A 71 -6.803 -9.416 18.185 1.00 0.00 ATOM 555 CB PHE A 71 -3.692 -9.113 17.634 1.00 0.00 ATOM 556 CG PHE A 71 -3.423 -7.650 17.380 1.00 0.00 ATOM 557 CD1 PHE A 71 -2.673 -6.902 18.285 1.00 0.00 ATOM 558 CD2 PHE A 71 -3.980 -6.999 16.280 1.00 0.00 ATOM 559 CE1 PHE A 71 -2.489 -5.526 18.103 1.00 0.00 ATOM 560 CE2 PHE A 71 -3.803 -5.622 16.087 1.00 0.00 ATOM 561 CZ PHE A 71 -3.060 -4.886 17.000 1.00 0.00 ATOM 562 N MET A 72 -6.115 -7.596 19.332 1.00 0.00 ATOM 563 CA MET A 72 -7.402 -6.905 19.308 1.00 0.00 ATOM 564 C MET A 72 -7.413 -5.818 18.242 1.00 0.00 ATOM 565 O MET A 72 -6.597 -4.901 18.284 1.00 0.00 ATOM 566 CB MET A 72 -7.679 -6.246 20.670 1.00 0.00 ATOM 567 CG MET A 72 -7.254 -7.065 21.896 1.00 0.00 ATOM 568 SD MET A 72 -8.528 -8.140 22.645 1.00 0.00 ATOM 569 CE MET A 72 -8.880 -7.197 24.182 1.00 0.00 ATOM 570 N ALA A 73 -8.357 -5.901 17.309 1.00 0.00 ATOM 571 CA ALA A 73 -8.476 -4.908 16.247 1.00 0.00 ATOM 572 C ALA A 73 -9.953 -4.659 15.964 1.00 0.00 ATOM 573 O ALA A 73 -10.546 -5.334 15.137 1.00 0.00 ATOM 574 CB ALA A 73 -7.764 -5.397 14.986 1.00 0.00 ATOM 575 N SER A 74 -10.536 -3.677 16.646 1.00 0.00 ATOM 576 CA SER A 74 -11.952 -3.350 16.489 1.00 0.00 ATOM 577 C SER A 74 -12.408 -3.034 15.074 1.00 0.00 ATOM 578 O SER A 74 -11.904 -2.110 14.437 1.00 0.00 ATOM 579 CB SER A 74 -12.338 -2.195 17.415 1.00 0.00 ATOM 580 OG SER A 74 -12.160 -2.575 18.766 1.00 0.00 ATOM 581 N GLY A 75 -13.401 -3.781 14.605 1.00 0.00 ATOM 582 CA GLY A 75 -13.928 -3.561 13.270 1.00 0.00 ATOM 583 C GLY A 75 -13.099 -4.203 12.187 1.00 0.00 ATOM 584 O GLY A 75 -13.351 -3.987 11.009 1.00 0.00 ATOM 585 N ALA A 76 -12.100 -4.985 12.574 1.00 0.00 ATOM 586 CA ALA A 76 -11.255 -5.659 11.602 1.00 0.00 ATOM 587 C ALA A 76 -11.156 -7.136 11.898 1.00 0.00 ATOM 588 O ALA A 76 -11.456 -7.584 13.002 1.00 0.00 ATOM 589 CB ALA A 76 -9.874 -5.053 11.601 1.00 0.00 ATOM 590 N GLU A 77 -10.754 -7.895 10.889 1.00 0.00 ATOM 591 CA GLU A 77 -10.576 -9.328 11.025 1.00 0.00 ATOM 592 C GLU A 77 -9.089 -9.644 11.227 1.00 0.00 ATOM 593 O GLU A 77 -8.284 -9.400 10.337 1.00 0.00 ATOM 594 CB GLU A 77 -11.075 -10.031 9.761 1.00 0.00 ATOM 595 CG GLU A 77 -10.910 -11.532 9.809 1.00 0.00 ATOM 596 CD GLU A 77 -11.173 -12.201 8.489 1.00 0.00 ATOM 597 OE1 GLU A 77 -11.864 -13.240 8.480 1.00 0.00 ATOM 598 OE2 GLU A 77 -10.679 -11.698 7.459 1.00 0.00 ATOM 599 N VAL A 78 -8.727 -10.169 12.398 1.00 0.00 ATOM 600 CA VAL A 78 -7.336 -10.545 12.683 1.00 0.00 ATOM 601 C VAL A 78 -7.102 -11.997 12.277 1.00 0.00 ATOM 602 O VAL A 78 -7.868 -12.879 12.664 1.00 0.00 ATOM 603 CB VAL A 78 -6.974 -10.363 14.179 1.00 0.00 ATOM 604 CG1 VAL A 78 -5.564 -10.881 14.461 1.00 0.00 ATOM 605 CG2 VAL A 78 -7.055 -8.900 14.556 1.00 0.00 ATOM 606 N VAL A 79 -6.100 -12.217 11.423 1.00 0.00 ATOM 607 CA VAL A 79 -5.741 -13.550 10.951 1.00 0.00 ATOM 608 C VAL A 79 -4.259 -13.812 11.275 1.00 0.00 ATOM 609 O VAL A 79 -3.508 -12.875 11.535 1.00 0.00 ATOM 610 CB VAL A 79 -6.031 -13.718 9.430 1.00 0.00 ATOM 611 CG1 VAL A 79 -7.517 -13.536 9.164 1.00 0.00 ATOM 612 CG2 VAL A 79 -5.257 -12.709 8.616 1.00 0.00 ATOM 613 N GLY A 80 -3.850 -15.077 11.321 1.00 0.00 ATOM 614 CA GLY A 80 -2.464 -15.386 11.646 1.00 0.00 ATOM 615 C GLY A 80 -1.590 -15.801 10.478 1.00 0.00 ATOM 616 O GLY A 80 -0.383 -15.971 10.629 1.00 0.00 ATOM 617 N SER A 81 -2.181 -15.922 9.298 1.00 0.00 ATOM 618 CA SER A 81 -1.440 -16.337 8.120 1.00 0.00 ATOM 619 C SER A 81 -1.937 -15.606 6.890 1.00 0.00 ATOM 620 O SER A 81 -3.080 -15.138 6.856 1.00 0.00 ATOM 621 CB SER A 81 -1.613 -17.839 7.911 1.00 0.00 ATOM 622 OG SER A 81 -2.939 -18.151 7.497 1.00 0.00 ATOM 623 N LEU A 82 -1.098 -15.571 5.857 1.00 0.00 ATOM 624 CA LEU A 82 -1.438 -14.907 4.609 1.00 0.00 ATOM 625 C LEU A 82 -2.550 -15.645 3.878 1.00 0.00 ATOM 626 O LEU A 82 -3.398 -15.016 3.243 1.00 0.00 ATOM 627 CB LEU A 82 -0.217 -14.813 3.700 1.00 0.00 ATOM 628 CG LEU A 82 0.143 -13.496 3.001 1.00 0.00 ATOM 629 CD1 LEU A 82 0.510 -13.805 1.558 1.00 0.00 ATOM 630 CD2 LEU A 82 -0.985 -12.488 3.054 1.00 0.00 ATOM 631 N GLU A 83 -2.546 -16.973 3.965 1.00 0.00 ATOM 632 CA GLU A 83 -3.569 -17.786 3.304 1.00 0.00 ATOM 633 C GLU A 83 -4.973 -17.475 3.824 1.00 0.00 ATOM 634 O GLU A 83 -5.942 -17.546 3.077 1.00 0.00 ATOM 635 CB GLU A 83 -3.271 -19.283 3.458 1.00 0.00 ATOM 636 CG GLU A 83 -2.856 -19.700 4.872 1.00 0.00 ATOM 637 CD GLU A 83 -3.276 -21.131 5.243 1.00 0.00 ATOM 638 OE1 GLU A 83 -4.134 -21.708 4.526 1.00 0.00 ATOM 639 OE2 GLU A 83 -2.758 -21.669 6.259 1.00 0.00 ATOM 640 N GLU A 84 -5.075 -17.156 5.112 1.00 0.00 ATOM 641 CA GLU A 84 -6.358 -16.816 5.729 1.00 0.00 ATOM 642 C GLU A 84 -6.797 -15.392 5.350 1.00 0.00 ATOM 643 O GLU A 84 -7.980 -15.068 5.396 1.00 0.00 ATOM 644 CB GLU A 84 -6.267 -16.913 7.254 1.00 0.00 ATOM 645 CG GLU A 84 -6.098 -18.310 7.830 1.00 0.00 ATOM 646 CD GLU A 84 -5.602 -18.269 9.265 1.00 0.00 ATOM 647 OE1 GLU A 84 -6.149 -17.503 10.092 1.00 0.00 ATOM 648 OE2 GLU A 84 -4.637 -18.991 9.576 1.00 0.00 ATOM 649 N ALA A 85 -5.839 -14.545 4.991 1.00 0.00 ATOM 650 CA ALA A 85 -6.139 -13.168 4.618 1.00 0.00 ATOM 651 C ALA A 85 -6.518 -12.969 3.149 1.00 0.00 ATOM 652 O ALA A 85 -7.303 -12.087 2.829 1.00 0.00 ATOM 653 CB ALA A 85 -4.956 -12.282 4.972 1.00 0.00 ATOM 654 N LEU A 86 -5.994 -13.817 2.266 1.00 0.00 ATOM 655 CA LEU A 86 -6.232 -13.702 0.823 1.00 0.00 ATOM 656 C LEU A 86 -7.409 -14.446 0.199 1.00 0.00 ATOM 657 O LEU A 86 -7.500 -14.528 -1.027 1.00 0.00 ATOM 658 CB LEU A 86 -4.958 -14.093 0.079 1.00 0.00 ATOM 659 CG LEU A 86 -3.711 -13.324 0.510 1.00 0.00 ATOM 660 CD1 LEU A 86 -2.489 -13.923 -0.155 1.00 0.00 ATOM 661 CD2 LEU A 86 -3.849 -11.841 0.181 1.00 0.00 ATOM 662 N THR A 87 -8.341 -14.924 1.013 1.00 0.00 ATOM 663 CA THR A 87 -9.482 -15.685 0.496 1.00 0.00 ATOM 664 C THR A 87 -10.458 -14.963 -0.455 1.00 0.00 ATOM 665 O THR A 87 -11.192 -15.621 -1.196 1.00 0.00 ATOM 666 CB THR A 87 -10.261 -16.379 1.643 1.00 0.00 ATOM 667 OG1 THR A 87 -10.833 -15.388 2.498 1.00 0.00 ATOM 668 CG2 THR A 87 -9.328 -17.250 2.473 1.00 0.00 ATOM 669 N SER A 88 -10.469 -13.629 -0.460 1.00 0.00 ATOM 670 CA SER A 88 -11.369 -12.890 -1.358 1.00 0.00 ATOM 671 C SER A 88 -10.829 -12.829 -2.780 1.00 0.00 ATOM 672 O SER A 88 -9.619 -12.770 -2.989 1.00 0.00 ATOM 673 CB SER A 88 -11.582 -11.449 -0.879 1.00 0.00 ATOM 674 OG SER A 88 -12.191 -11.393 0.399 1.00 0.00 ATOM 675 N PRO A 89 -11.727 -12.838 -3.776 1.00 0.00 ATOM 676 CA PRO A 89 -11.437 -12.774 -5.217 1.00 0.00 ATOM 677 C PRO A 89 -10.666 -11.491 -5.598 1.00 0.00 ATOM 678 O PRO A 89 -9.812 -11.506 -6.489 1.00 0.00 ATOM 679 CB PRO A 89 -12.835 -12.798 -5.841 1.00 0.00 ATOM 680 CG PRO A 89 -13.581 -13.678 -4.903 1.00 0.00 ATOM 681 CD PRO A 89 -13.154 -13.133 -3.556 1.00 0.00 ATOM 682 N GLU A 90 -11.030 -10.367 -4.991 1.00 0.00 ATOM 683 CA GLU A 90 -10.314 -9.133 -5.244 1.00 0.00 ATOM 684 C GLU A 90 -9.851 -8.588 -3.895 1.00 0.00 ATOM 685 O GLU A 90 -10.646 -8.095 -3.098 1.00 0.00 ATOM 686 CB GLU A 90 -11.158 -8.111 -6.018 1.00 0.00 ATOM 687 CG GLU A 90 -10.470 -6.737 -6.112 1.00 0.00 ATOM 688 CD GLU A 90 -10.793 -5.940 -7.369 1.00 0.00 ATOM 689 OE1 GLU A 90 -10.209 -4.841 -7.532 1.00 0.00 ATOM 690 OE2 GLU A 90 -11.613 -6.404 -8.191 1.00 0.00 ATOM 691 N THR A 91 -8.562 -8.749 -3.620 1.00 0.00 ATOM 692 CA THR A 91 -7.987 -8.290 -2.363 1.00 0.00 ATOM 693 C THR A 91 -6.901 -7.250 -2.603 1.00 0.00 ATOM 694 O THR A 91 -6.103 -7.375 -3.525 1.00 0.00 ATOM 695 CB THR A 91 -7.353 -9.470 -1.583 1.00 0.00 ATOM 696 OG1 THR A 91 -8.350 -10.453 -1.285 1.00 0.00 ATOM 697 CG2 THR A 91 -6.709 -8.984 -0.290 1.00 0.00 ATOM 698 N TRP A 92 -6.887 -6.203 -1.798 1.00 0.00 ATOM 699 CA TRP A 92 -5.841 -5.209 -1.935 1.00 0.00 ATOM 700 C TRP A 92 -4.993 -5.189 -0.688 1.00 0.00 ATOM 701 O TRP A 92 -5.511 -5.080 0.428 1.00 0.00 ATOM 702 CB TRP A 92 -6.406 -3.819 -2.239 1.00 0.00 ATOM 703 CG TRP A 92 -6.840 -3.700 -3.688 1.00 0.00 ATOM 704 CD1 TRP A 92 -8.097 -3.925 -4.200 1.00 0.00 ATOM 705 CD2 TRP A 92 -5.997 -3.415 -4.813 1.00 0.00 ATOM 706 NE1 TRP A 92 -8.075 -3.807 -5.572 1.00 0.00 ATOM 707 CE2 TRP A 92 -6.801 -3.494 -5.971 1.00 0.00 ATOM 708 CE3 TRP A 92 -4.640 -3.109 -4.952 1.00 0.00 ATOM 709 CZ2 TRP A 92 -6.288 -3.275 -7.249 1.00 0.00 ATOM 710 CZ3 TRP A 92 -4.131 -2.895 -6.222 1.00 0.00 ATOM 711 CH2 TRP A 92 -4.953 -2.980 -7.353 1.00 0.00 ATOM 712 N VAL A 93 -3.696 -5.403 -0.880 1.00 0.00 ATOM 713 CA VAL A 93 -2.737 -5.390 0.215 1.00 0.00 ATOM 714 C VAL A 93 -2.320 -3.918 0.328 1.00 0.00 ATOM 715 O VAL A 93 -1.733 -3.341 -0.589 1.00 0.00 ATOM 716 CB VAL A 93 -1.543 -6.356 -0.088 1.00 0.00 ATOM 717 CG1 VAL A 93 -0.453 -6.231 0.981 1.00 0.00 ATOM 718 CG2 VAL A 93 -2.067 -7.819 -0.149 1.00 0.00 ATOM 719 N ILE A 94 -2.705 -3.297 1.434 1.00 0.00 ATOM 720 CA ILE A 94 -2.450 -1.881 1.632 1.00 0.00 ATOM 721 C ILE A 94 -1.280 -1.565 2.511 1.00 0.00 ATOM 722 O ILE A 94 -1.079 -0.421 2.920 1.00 0.00 ATOM 723 CB ILE A 94 -3.680 -1.159 2.190 1.00 0.00 ATOM 724 CG1 ILE A 94 -3.939 -1.571 3.636 1.00 0.00 ATOM 725 CG2 ILE A 94 -4.881 -1.488 1.344 1.00 0.00 ATOM 726 CD1 ILE A 94 -4.702 -0.520 4.417 1.00 0.00 ATOM 727 N GLY A 95 -0.506 -2.567 2.848 1.00 0.00 ATOM 728 CA GLY A 95 0.590 -2.201 3.664 1.00 0.00 ATOM 729 C GLY A 95 1.327 -3.110 4.559 1.00 0.00 ATOM 730 O GLY A 95 0.788 -3.999 5.215 1.00 0.00 ATOM 731 N GLY A 96 2.465 -2.477 4.818 1.00 0.00 ATOM 732 CA GLY A 96 3.544 -2.934 5.611 1.00 0.00 ATOM 733 C GLY A 96 4.637 -3.260 4.622 1.00 0.00 ATOM 734 O GLY A 96 4.343 -3.849 3.585 1.00 0.00 ATOM 735 N GLY A 97 5.862 -2.815 4.875 1.00 0.00 ATOM 736 CA GLY A 97 6.939 -3.206 3.996 1.00 0.00 ATOM 737 C GLY A 97 7.032 -4.728 4.096 1.00 0.00 ATOM 738 O GLY A 97 7.251 -5.417 3.097 1.00 0.00 ATOM 739 N GLN A 98 6.803 -5.276 5.286 1.00 0.00 ATOM 740 CA GLN A 98 6.843 -6.731 5.475 1.00 0.00 ATOM 741 C GLN A 98 5.736 -7.460 4.721 1.00 0.00 ATOM 742 O GLN A 98 5.980 -8.455 4.028 1.00 0.00 ATOM 743 CB GLN A 98 6.720 -7.107 6.947 1.00 0.00 ATOM 744 CG GLN A 98 7.919 -6.744 7.793 1.00 0.00 ATOM 745 CD GLN A 98 7.688 -7.009 9.261 1.00 0.00 ATOM 746 OE1 GLN A 98 7.983 -6.160 10.118 1.00 0.00 ATOM 747 NE2 GLN A 98 7.154 -8.189 9.569 1.00 0.00 ATOM 748 N VAL A 99 4.514 -6.979 4.871 1.00 0.00 ATOM 749 CA VAL A 99 3.395 -7.616 4.214 1.00 0.00 ATOM 750 C VAL A 99 3.432 -7.530 2.696 1.00 0.00 ATOM 751 O VAL A 99 2.984 -8.459 2.027 1.00 0.00 ATOM 752 CB VAL A 99 2.065 -7.123 4.799 1.00 0.00 ATOM 753 CG1 VAL A 99 0.892 -7.760 4.092 1.00 0.00 ATOM 754 CG2 VAL A 99 2.009 -7.497 6.266 1.00 0.00 ATOM 755 N TYR A 100 3.999 -6.461 2.141 1.00 0.00 ATOM 756 CA TYR A 100 4.101 -6.343 0.682 1.00 0.00 ATOM 757 C TYR A 100 5.042 -7.428 0.165 1.00 0.00 ATOM 758 O TYR A 100 4.808 -8.021 -0.890 1.00 0.00 ATOM 759 CB TYR A 100 4.669 -4.981 0.248 1.00 0.00 ATOM 760 CG TYR A 100 3.735 -3.785 0.367 1.00 0.00 ATOM 761 CD1 TYR A 100 4.187 -2.597 0.943 1.00 0.00 ATOM 762 CD2 TYR A 100 2.416 -3.836 -0.096 1.00 0.00 ATOM 763 CE1 TYR A 100 3.355 -1.488 1.058 1.00 0.00 ATOM 764 CE2 TYR A 100 1.576 -2.731 0.015 1.00 0.00 ATOM 765 CZ TYR A 100 2.060 -1.555 0.596 1.00 0.00 ATOM 766 OH TYR A 100 1.275 -0.423 0.714 1.00 0.00 ATOM 767 N ALA A 101 6.131 -7.657 0.895 1.00 0.00 ATOM 768 CA ALA A 101 7.120 -8.670 0.520 1.00 0.00 ATOM 769 C ALA A 101 6.498 -10.049 0.572 1.00 0.00 ATOM 770 O ALA A 101 6.722 -10.887 -0.299 1.00 0.00 ATOM 771 CB ALA A 101 8.287 -8.616 1.471 1.00 0.00 ATOM 772 N LEU A 102 5.715 -10.268 1.617 1.00 0.00 ATOM 773 CA LEU A 102 5.028 -11.521 1.854 1.00 0.00 ATOM 774 C LEU A 102 3.987 -11.820 0.768 1.00 0.00 ATOM 775 O LEU A 102 3.904 -12.945 0.259 1.00 0.00 ATOM 776 CB LEU A 102 4.338 -11.419 3.215 1.00 0.00 ATOM 777 CG LEU A 102 3.989 -12.625 4.091 1.00 0.00 ATOM 778 CD1 LEU A 102 5.269 -13.374 4.514 1.00 0.00 ATOM 779 CD2 LEU A 102 3.237 -12.115 5.335 1.00 0.00 ATOM 780 N ALA A 103 3.219 -10.800 0.390 1.00 0.00 ATOM 781 CA ALA A 103 2.151 -10.947 -0.595 1.00 0.00 ATOM 782 C ALA A 103 2.513 -10.774 -2.066 1.00 0.00 ATOM 783 O ALA A 103 1.741 -11.163 -2.933 1.00 0.00 ATOM 784 CB ALA A 103 1.011 -10.008 -0.236 1.00 0.00 ATOM 785 N LEU A 104 3.670 -10.189 -2.357 1.00 0.00 ATOM 786 CA LEU A 104 4.079 -9.957 -3.740 1.00 0.00 ATOM 787 C LEU A 104 3.924 -11.172 -4.652 1.00 0.00 ATOM 788 O LEU A 104 3.342 -11.054 -5.736 1.00 0.00 ATOM 789 CB LEU A 104 5.526 -9.475 -3.793 1.00 0.00 ATOM 790 CG LEU A 104 6.030 -8.441 -4.803 1.00 0.00 ATOM 791 CD1 LEU A 104 7.479 -8.762 -5.100 1.00 0.00 ATOM 792 CD2 LEU A 104 5.251 -8.430 -6.068 1.00 0.00 ATOM 793 N PRO A 105 4.418 -12.364 -4.229 1.00 0.00 ATOM 794 CA PRO A 105 4.253 -13.497 -5.148 1.00 0.00 ATOM 795 C PRO A 105 2.818 -13.896 -5.522 1.00 0.00 ATOM 796 O PRO A 105 2.592 -14.447 -6.584 1.00 0.00 ATOM 797 CB PRO A 105 5.071 -14.619 -4.491 1.00 0.00 ATOM 798 CG PRO A 105 5.286 -14.202 -3.104 1.00 0.00 ATOM 799 CD PRO A 105 5.311 -12.709 -3.106 1.00 0.00 ATOM 800 N TYR A 106 1.846 -13.533 -4.692 1.00 0.00 ATOM 801 CA TYR A 106 0.444 -13.847 -4.938 1.00 0.00 ATOM 802 C TYR A 106 -0.211 -12.772 -5.786 1.00 0.00 ATOM 803 O TYR A 106 -1.327 -12.951 -6.260 1.00 0.00 ATOM 804 CB TYR A 106 -0.313 -13.921 -3.609 1.00 0.00 ATOM 805 CG TYR A 106 0.192 -14.985 -2.686 1.00 0.00 ATOM 806 CD1 TYR A 106 1.329 -14.779 -1.894 1.00 0.00 ATOM 807 CD2 TYR A 106 -0.403 -16.245 -2.674 1.00 0.00 ATOM 808 CE1 TYR A 106 1.870 -15.828 -1.121 1.00 0.00 ATOM 809 CE2 TYR A 106 0.128 -17.292 -1.912 1.00 0.00 ATOM 810 CZ TYR A 106 1.263 -17.084 -1.149 1.00 0.00 ATOM 811 OH TYR A 106 1.816 -18.160 -0.486 1.00 0.00 ATOM 812 N ALA A 107 0.501 -11.667 -5.984 1.00 0.00 ATOM 813 CA ALA A 107 -0.020 -10.522 -6.724 1.00 0.00 ATOM 814 C ALA A 107 0.081 -10.514 -8.251 1.00 0.00 ATOM 815 O ALA A 107 1.050 -10.992 -8.828 1.00 0.00 ATOM 816 CB ALA A 107 0.604 -9.242 -6.167 1.00 0.00 ATOM 817 N THR A 108 -0.934 -9.936 -8.886 1.00 0.00 ATOM 818 CA THR A 108 -0.972 -9.789 -10.332 1.00 0.00 ATOM 819 C THR A 108 -1.245 -8.342 -10.703 1.00 0.00 ATOM 820 O THR A 108 -1.366 -8.020 -11.876 1.00 0.00 ATOM 821 CB THR A 108 -2.020 -10.685 -10.989 1.00 0.00 ATOM 822 OG1 THR A 108 -3.235 -10.632 -10.243 1.00 0.00 ATOM 823 CG2 THR A 108 -1.516 -12.129 -11.047 1.00 0.00 ATOM 824 N ARG A 109 -1.342 -7.471 -9.701 1.00 0.00 ATOM 825 CA ARG A 109 -1.564 -6.034 -9.912 1.00 0.00 ATOM 826 C ARG A 109 -0.864 -5.196 -8.845 1.00 0.00 ATOM 827 O ARG A 109 -0.805 -5.584 -7.677 1.00 0.00 ATOM 828 CB ARG A 109 -3.063 -5.674 -9.881 1.00 0.00 ATOM 829 CG ARG A 109 -3.816 -5.918 -11.163 1.00 0.00 ATOM 830 CD ARG A 109 -5.182 -5.266 -11.109 1.00 0.00 ATOM 831 NE ARG A 109 -5.137 -3.799 -11.111 1.00 0.00 ATOM 832 CZ ARG A 109 -6.198 -3.011 -10.913 1.00 0.00 ATOM 833 NH1 ARG A 109 -7.406 -3.532 -10.703 1.00 0.00 ATOM 834 NH2 ARG A 109 -6.042 -1.698 -10.848 1.00 0.00 ATOM 835 N CYS A 110 -0.318 -4.054 -9.260 1.00 0.00 ATOM 836 CA CYS A 110 0.324 -3.116 -8.344 1.00 0.00 ATOM 837 C CYS A 110 -0.106 -1.728 -8.763 1.00 0.00 ATOM 838 O CYS A 110 -0.067 -1.409 -9.940 1.00 0.00 ATOM 839 CB CYS A 110 1.845 -3.188 -8.421 1.00 0.00 ATOM 840 SG CYS A 110 2.590 -4.558 -7.552 1.00 0.00 ATOM 841 N GLU A 111 -0.565 -0.926 -7.810 1.00 0.00 ATOM 842 CA GLU A 111 -0.968 0.459 -8.070 1.00 0.00 ATOM 843 C GLU A 111 -0.006 1.265 -7.226 1.00 0.00 ATOM 844 O GLU A 111 -0.045 1.236 -5.995 1.00 0.00 ATOM 845 CB GLU A 111 -2.420 0.707 -7.663 1.00 0.00 ATOM 846 CG GLU A 111 -3.431 0.052 -8.596 1.00 0.00 ATOM 847 CD GLU A 111 -3.371 0.585 -10.039 1.00 0.00 ATOM 848 OE1 GLU A 111 -2.892 1.719 -10.252 1.00 0.00 ATOM 849 OE2 GLU A 111 -3.815 -0.132 -10.960 1.00 0.00 ATOM 850 N VAL A 112 0.886 1.964 -7.910 1.00 0.00 ATOM 851 CA VAL A 112 1.950 2.703 -7.257 1.00 0.00 ATOM 852 C VAL A 112 1.936 4.199 -7.480 1.00 0.00 ATOM 853 O VAL A 112 1.686 4.675 -8.588 1.00 0.00 ATOM 854 CB VAL A 112 3.320 2.173 -7.757 1.00 0.00 ATOM 855 CG1 VAL A 112 4.485 2.886 -7.050 1.00 0.00 ATOM 856 CG2 VAL A 112 3.397 0.645 -7.589 1.00 0.00 ATOM 857 N THR A 113 2.250 4.933 -6.421 1.00 0.00 ATOM 858 CA THR A 113 2.326 6.382 -6.494 1.00 0.00 ATOM 859 C THR A 113 3.775 6.733 -6.215 1.00 0.00 ATOM 860 O THR A 113 4.294 6.386 -5.157 1.00 0.00 ATOM 861 CB THR A 113 1.450 7.040 -5.415 1.00 0.00 ATOM 862 OG1 THR A 113 0.076 6.739 -5.670 1.00 0.00 ATOM 863 CG2 THR A 113 1.653 8.558 -5.396 1.00 0.00 ATOM 864 N GLU A 114 4.460 7.349 -7.178 1.00 0.00 ATOM 865 CA GLU A 114 5.842 7.752 -6.930 1.00 0.00 ATOM 866 C GLU A 114 5.846 9.221 -6.507 1.00 0.00 ATOM 867 O GLU A 114 5.254 10.064 -7.189 1.00 0.00 ATOM 868 CB GLU A 114 6.712 7.585 -8.166 1.00 0.00 ATOM 869 CG GLU A 114 8.168 7.951 -7.888 1.00 0.00 ATOM 870 CD GLU A 114 9.042 8.012 -9.134 1.00 0.00 ATOM 871 OE1 GLU A 114 8.547 7.750 -10.250 1.00 0.00 ATOM 872 OE2 GLU A 114 10.242 8.332 -8.995 1.00 0.00 ATOM 873 N VAL A 115 6.474 9.505 -5.365 1.00 0.00 ATOM 874 CA VAL A 115 6.584 10.855 -4.828 1.00 0.00 ATOM 875 C VAL A 115 8.000 11.383 -5.091 1.00 0.00 ATOM 876 O VAL A 115 8.995 10.803 -4.650 1.00 0.00 ATOM 877 CB VAL A 115 6.260 10.879 -3.330 1.00 0.00 ATOM 878 CG1 VAL A 115 6.280 12.310 -2.791 1.00 0.00 ATOM 879 CG2 VAL A 115 4.902 10.273 -3.105 1.00 0.00 ATOM 880 N ASP A 116 8.076 12.467 -5.858 1.00 0.00 ATOM 881 CA ASP A 116 9.348 13.079 -6.221 1.00 0.00 ATOM 882 C ASP A 116 9.914 13.906 -5.065 1.00 0.00 ATOM 883 O ASP A 116 9.948 15.137 -5.109 1.00 0.00 ATOM 884 CB ASP A 116 9.147 13.935 -7.472 1.00 0.00 ATOM 885 CG ASP A 116 10.450 14.425 -8.082 1.00 0.00 ATOM 886 OD1 ASP A 116 11.541 14.097 -7.581 1.00 0.00 ATOM 887 OD2 ASP A 116 10.378 15.162 -9.082 1.00 0.00 ATOM 888 N ILE A 117 10.376 13.207 -4.034 1.00 0.00 ATOM 889 CA ILE A 117 10.947 13.838 -2.850 1.00 0.00 ATOM 890 C ILE A 117 12.326 13.221 -2.584 1.00 0.00 ATOM 891 O ILE A 117 12.537 12.035 -2.846 1.00 0.00 ATOM 892 CB ILE A 117 10.022 13.615 -1.631 1.00 0.00 ATOM 893 CG1 ILE A 117 10.591 14.288 -0.386 1.00 0.00 ATOM 894 CG2 ILE A 117 9.804 12.105 -1.380 1.00 0.00 ATOM 895 CD1 ILE A 117 9.731 14.076 0.851 1.00 0.00 ATOM 896 N GLY A 118 13.274 14.044 -2.142 1.00 0.00 ATOM 897 CA GLY A 118 14.614 13.557 -1.840 1.00 0.00 ATOM 898 C GLY A 118 14.573 12.932 -0.468 1.00 0.00 ATOM 899 O GLY A 118 14.466 13.631 0.533 1.00 0.00 ATOM 900 N LEU A 119 14.680 11.611 -0.414 1.00 0.00 ATOM 901 CA LEU A 119 14.581 10.903 0.856 1.00 0.00 ATOM 902 C LEU A 119 15.355 9.590 0.793 1.00 0.00 ATOM 903 O LEU A 119 14.763 8.521 0.684 1.00 0.00 ATOM 904 CB LEU A 119 13.096 10.615 1.122 1.00 0.00 ATOM 905 CG LEU A 119 12.531 10.508 2.535 1.00 0.00 ATOM 906 CD1 LEU A 119 12.711 11.837 3.243 1.00 0.00 ATOM 907 CD2 LEU A 119 11.053 10.139 2.455 1.00 0.00 ATOM 908 N PRO A 120 16.693 9.657 0.840 1.00 0.00 ATOM 909 CA PRO A 120 17.548 8.461 0.788 1.00 0.00 ATOM 910 C PRO A 120 17.163 7.443 1.864 1.00 0.00 ATOM 911 O PRO A 120 16.686 7.823 2.940 1.00 0.00 ATOM 912 CB PRO A 120 18.941 9.040 1.040 1.00 0.00 ATOM 913 CG PRO A 120 18.851 10.414 0.431 1.00 0.00 ATOM 914 CD PRO A 120 17.504 10.885 0.924 1.00 0.00 ATOM 915 N ARG A 121 17.358 6.157 1.577 1.00 0.00 ATOM 916 CA ARG A 121 17.019 5.108 2.537 1.00 0.00 ATOM 917 C ARG A 121 17.898 5.226 3.759 1.00 0.00 ATOM 918 O ARG A 121 19.066 5.586 3.661 1.00 0.00 ATOM 919 CB ARG A 121 17.255 3.702 1.973 1.00 0.00 ATOM 920 CG ARG A 121 16.642 3.391 0.625 1.00 0.00 ATOM 921 CD ARG A 121 17.323 2.150 0.014 1.00 0.00 ATOM 922 NE ARG A 121 17.316 2.135 -1.453 1.00 0.00 ATOM 923 CZ ARG A 121 17.717 3.145 -2.236 1.00 0.00 ATOM 924 NH1 ARG A 121 18.167 4.289 -1.717 1.00 0.00 ATOM 925 NH2 ARG A 121 17.674 3.011 -3.558 1.00 0.00 ATOM 926 N GLU A 122 17.322 4.896 4.904 1.00 0.00 ATOM 927 CA GLU A 122 18.017 4.887 6.173 1.00 0.00 ATOM 928 C GLU A 122 17.719 3.524 6.771 1.00 0.00 ATOM 929 O GLU A 122 16.665 2.952 6.515 1.00 0.00 ATOM 930 CB GLU A 122 17.499 5.996 7.080 1.00 0.00 ATOM 931 CG GLU A 122 18.024 7.358 6.694 1.00 0.00 ATOM 932 CD GLU A 122 17.303 8.496 7.380 1.00 0.00 ATOM 933 OE1 GLU A 122 17.475 9.642 6.927 1.00 0.00 ATOM 934 OE2 GLU A 122 16.552 8.264 8.350 1.00 0.00 ATOM 935 N ALA A 123 18.659 2.988 7.539 1.00 0.00 ATOM 936 CA ALA A 123 18.494 1.682 8.160 1.00 0.00 ATOM 937 C ALA A 123 17.209 1.614 8.962 1.00 0.00 ATOM 938 O ALA A 123 16.914 2.516 9.738 1.00 0.00 ATOM 939 CB ALA A 123 19.660 1.393 9.060 1.00 0.00 ATOM 940 N GLY A 124 16.431 0.561 8.756 1.00 0.00 ATOM 941 CA GLY A 124 15.198 0.425 9.505 1.00 0.00 ATOM 942 C GLY A 124 13.936 0.962 8.866 1.00 0.00 ATOM 943 O GLY A 124 12.855 0.763 9.414 1.00 0.00 ATOM 944 N ASP A 125 14.056 1.632 7.721 1.00 0.00 ATOM 945 CA ASP A 125 12.905 2.200 7.006 1.00 0.00 ATOM 946 C ASP A 125 12.052 1.107 6.406 1.00 0.00 ATOM 947 O ASP A 125 12.560 0.040 6.085 1.00 0.00 ATOM 948 CB ASP A 125 13.369 3.032 5.802 1.00 0.00 ATOM 949 CG ASP A 125 13.855 4.413 6.174 1.00 0.00 ATOM 950 OD1 ASP A 125 13.781 4.828 7.345 1.00 0.00 ATOM 951 OD2 ASP A 125 14.319 5.093 5.250 1.00 0.00 ATOM 952 N ALA A 126 10.768 1.386 6.212 1.00 0.00 ATOM 953 CA ALA A 126 9.892 0.429 5.548 1.00 0.00 ATOM 954 C ALA A 126 10.125 0.742 4.061 1.00 0.00 ATOM 955 O ALA A 126 10.179 1.916 3.663 1.00 0.00 ATOM 956 CB ALA A 126 8.433 0.666 5.936 1.00 0.00 ATOM 957 N LEU A 127 10.343 -0.297 3.260 1.00 0.00 ATOM 958 CA LEU A 127 10.599 -0.117 1.842 1.00 0.00 ATOM 959 C LEU A 127 9.588 -0.810 0.976 1.00 0.00 ATOM 960 O LEU A 127 9.004 -1.815 1.354 1.00 0.00 ATOM 961 CB LEU A 127 11.983 -0.653 1.477 1.00 0.00 ATOM 962 CG LEU A 127 13.172 -0.072 2.242 1.00 0.00 ATOM 963 CD1 LEU A 127 14.415 -0.859 1.917 1.00 0.00 ATOM 964 CD2 LEU A 127 13.344 1.382 1.878 1.00 0.00 ATOM 965 N ALA A 128 9.429 -0.283 -0.226 1.00 0.00 ATOM 966 CA ALA A 128 8.505 -0.830 -1.206 1.00 0.00 ATOM 967 C ALA A 128 9.127 -2.073 -1.844 1.00 0.00 ATOM 968 O ALA A 128 10.356 -2.229 -1.851 1.00 0.00 ATOM 969 CB ALA A 128 8.241 0.212 -2.268 1.00 0.00 ATOM 970 N PRO A 129 8.292 -3.006 -2.333 1.00 0.00 ATOM 971 CA PRO A 129 8.858 -4.202 -2.959 1.00 0.00 ATOM 972 C PRO A 129 9.407 -3.832 -4.339 1.00 0.00 ATOM 973 O PRO A 129 8.961 -2.857 -4.947 1.00 0.00 ATOM 974 CB PRO A 129 7.649 -5.130 -3.055 1.00 0.00 ATOM 975 CG PRO A 129 6.516 -4.183 -3.247 1.00 0.00 ATOM 976 CD PRO A 129 6.823 -3.096 -2.252 1.00 0.00 ATOM 977 N VAL A 130 10.433 -4.552 -4.795 1.00 0.00 ATOM 978 CA VAL A 130 11.017 -4.279 -6.108 1.00 0.00 ATOM 979 C VAL A 130 10.292 -5.126 -7.140 1.00 0.00 ATOM 980 O VAL A 130 10.098 -6.319 -6.932 1.00 0.00 ATOM 981 CB VAL A 130 12.525 -4.613 -6.169 1.00 0.00 ATOM 982 CG1 VAL A 130 13.093 -4.182 -7.525 1.00 0.00 ATOM 983 CG2 VAL A 130 13.273 -3.896 -5.048 1.00 0.00 ATOM 984 N LEU A 131 9.849 -4.489 -8.219 1.00 0.00 ATOM 985 CA LEU A 131 9.134 -5.182 -9.277 1.00 0.00 ATOM 986 C LEU A 131 10.103 -5.605 -10.373 1.00 0.00 ATOM 987 O LEU A 131 10.759 -4.772 -11.000 1.00 0.00 ATOM 988 CB LEU A 131 8.019 -4.297 -9.842 1.00 0.00 ATOM 989 CG LEU A 131 7.028 -3.761 -8.800 1.00 0.00 ATOM 990 CD1 LEU A 131 5.901 -3.052 -9.496 1.00 0.00 ATOM 991 CD2 LEU A 131 6.488 -4.882 -7.946 1.00 0.00 ATOM 992 N ASP A 132 10.242 -6.914 -10.544 1.00 0.00 ATOM 993 CA ASP A 132 11.139 -7.447 -11.556 1.00 0.00 ATOM 994 C ASP A 132 10.514 -7.379 -12.950 1.00 0.00 ATOM 995 O ASP A 132 9.450 -6.783 -13.132 1.00 0.00 ATOM 996 CB ASP A 132 11.580 -8.867 -11.194 1.00 0.00 ATOM 997 CG ASP A 132 10.433 -9.865 -11.181 1.00 0.00 ATOM 998 OD1 ASP A 132 10.629 -10.970 -10.635 1.00 0.00 ATOM 999 OD2 ASP A 132 9.343 -9.576 -11.717 1.00 0.00 ATOM 1000 N GLU A 133 11.137 -8.042 -13.920 1.00 0.00 ATOM 1001 CA GLU A 133 10.622 -7.982 -15.272 1.00 0.00 ATOM 1002 C GLU A 133 9.421 -8.837 -15.618 1.00 0.00 ATOM 1003 O GLU A 133 9.065 -8.926 -16.783 1.00 0.00 ATOM 1004 CB GLU A 133 11.740 -8.134 -16.304 1.00 0.00 ATOM 1005 CG GLU A 133 11.960 -6.869 -17.171 1.00 0.00 ATOM 1006 CD GLU A 133 10.889 -6.672 -18.276 1.00 0.00 ATOM 1007 OE1 GLU A 133 9.817 -6.067 -17.993 1.00 0.00 ATOM 1008 OE2 GLU A 133 11.128 -7.114 -19.436 1.00 0.00 ATOM 1009 N THR A 134 8.775 -9.446 -14.623 1.00 0.00 ATOM 1010 CA THR A 134 7.565 -10.228 -14.898 1.00 0.00 ATOM 1011 C THR A 134 6.405 -9.236 -15.006 1.00 0.00 ATOM 1012 O THR A 134 5.350 -9.541 -15.569 1.00 0.00 ATOM 1013 CB THR A 134 7.241 -11.272 -13.784 1.00 0.00 ATOM 1014 OG1 THR A 134 7.174 -10.640 -12.496 1.00 0.00 ATOM 1015 CG2 THR A 134 8.288 -12.354 -13.756 1.00 0.00 ATOM 1016 N TRP A 135 6.651 -8.020 -14.516 1.00 0.00 ATOM 1017 CA TRP A 135 5.669 -6.943 -14.495 1.00 0.00 ATOM 1018 C TRP A 135 5.685 -6.022 -15.704 1.00 0.00 ATOM 1019 O TRP A 135 6.748 -5.619 -16.170 1.00 0.00 ATOM 1020 CB TRP A 135 5.891 -6.094 -13.247 1.00 0.00 ATOM 1021 CG TRP A 135 5.656 -6.832 -11.967 1.00 0.00 ATOM 1022 CD1 TRP A 135 6.596 -7.416 -11.167 1.00 0.00 ATOM 1023 CD2 TRP A 135 4.400 -7.011 -11.307 1.00 0.00 ATOM 1024 NE1 TRP A 135 6.003 -7.938 -10.044 1.00 0.00 ATOM 1025 CE2 TRP A 135 4.654 -7.701 -10.105 1.00 0.00 ATOM 1026 CE3 TRP A 135 3.080 -6.646 -11.611 1.00 0.00 ATOM 1027 CZ2 TRP A 135 3.639 -8.033 -9.205 1.00 0.00 ATOM 1028 CZ3 TRP A 135 2.074 -6.976 -10.716 1.00 0.00 ATOM 1029 CH2 TRP A 135 2.359 -7.663 -9.528 1.00 0.00 ATOM 1030 N ARG A 136 4.497 -5.675 -16.188 1.00 0.00 ATOM 1031 CA ARG A 136 4.332 -4.750 -17.309 1.00 0.00 ATOM 1032 C ARG A 136 3.676 -3.501 -16.722 1.00 0.00 ATOM 1033 O ARG A 136 2.680 -3.609 -16.004 1.00 0.00 ATOM 1034 CB ARG A 136 3.393 -5.332 -18.371 1.00 0.00 ATOM 1035 CG ARG A 136 3.955 -6.493 -19.180 1.00 0.00 ATOM 1036 CD ARG A 136 3.807 -7.829 -18.453 1.00 0.00 ATOM 1037 NE ARG A 136 2.405 -8.195 -18.226 1.00 0.00 ATOM 1038 CZ ARG A 136 1.722 -9.078 -18.959 1.00 0.00 ATOM 1039 NH1 ARG A 136 2.310 -9.695 -19.982 1.00 0.00 ATOM 1040 NH2 ARG A 136 0.455 -9.367 -18.652 1.00 0.00 ATOM 1041 N GLY A 137 4.192 -2.318 -17.032 1.00 0.00 ATOM 1042 CA GLY A 137 3.575 -1.127 -16.474 1.00 0.00 ATOM 1043 C GLY A 137 3.272 0.049 -17.386 1.00 0.00 ATOM 1044 O GLY A 137 3.739 0.110 -18.520 1.00 0.00 ATOM 1045 N GLU A 138 2.428 0.954 -16.892 1.00 0.00 ATOM 1046 CA GLU A 138 2.061 2.179 -17.603 1.00 0.00 ATOM 1047 C GLU A 138 2.295 3.306 -16.628 1.00 0.00 ATOM 1048 O GLU A 138 1.770 3.286 -15.521 1.00 0.00 ATOM 1049 CB GLU A 138 0.591 2.204 -18.014 1.00 0.00 ATOM 1050 CG GLU A 138 0.143 1.014 -18.794 1.00 0.00 ATOM 1051 CD GLU A 138 -0.638 0.069 -17.923 1.00 0.00 ATOM 1052 OE1 GLU A 138 -0.100 -1.010 -17.568 1.00 0.00 ATOM 1053 OE2 GLU A 138 -1.787 0.433 -17.571 1.00 0.00 ATOM 1054 N THR A 139 3.092 4.279 -17.051 1.00 0.00 ATOM 1055 CA THR A 139 3.432 5.435 -16.238 1.00 0.00 ATOM 1056 C THR A 139 2.562 6.631 -16.593 1.00 0.00 ATOM 1057 O THR A 139 2.492 7.021 -17.758 1.00 0.00 ATOM 1058 CB THR A 139 4.883 5.844 -16.474 1.00 0.00 ATOM 1059 OG1 THR A 139 5.706 4.672 -16.522 1.00 0.00 ATOM 1060 CG2 THR A 139 5.361 6.738 -15.355 1.00 0.00 ATOM 1061 N GLY A 140 1.903 7.203 -15.588 1.00 0.00 ATOM 1062 CA GLY A 140 1.067 8.368 -15.804 1.00 0.00 ATOM 1063 C GLY A 140 1.920 9.620 -15.839 1.00 0.00 ATOM 1064 O GLY A 140 3.127 9.553 -15.641 1.00 0.00 ATOM 1065 N GLU A 141 1.293 10.766 -16.070 1.00 0.00 ATOM 1066 CA GLU A 141 2.012 12.031 -16.141 1.00 0.00 ATOM 1067 C GLU A 141 2.264 12.626 -14.778 1.00 0.00 ATOM 1068 O GLU A 141 1.414 12.541 -13.901 1.00 0.00 ATOM 1069 CB GLU A 141 1.232 13.042 -16.983 1.00 0.00 ATOM 1070 CG GLU A 141 1.127 12.675 -18.468 1.00 0.00 ATOM 1071 CD GLU A 141 2.486 12.537 -19.158 1.00 0.00 ATOM 1072 OE1 GLU A 141 2.698 11.511 -19.846 1.00 0.00 ATOM 1073 OE2 GLU A 141 3.340 13.446 -19.019 1.00 0.00 ATOM 1074 N TRP A 142 3.437 13.226 -14.603 1.00 0.00 ATOM 1075 CA TRP A 142 3.771 13.864 -13.341 1.00 0.00 ATOM 1076 C TRP A 142 2.756 14.987 -13.098 1.00 0.00 ATOM 1077 O TRP A 142 2.270 15.606 -14.042 1.00 0.00 ATOM 1078 CB TRP A 142 5.178 14.463 -13.385 1.00 0.00 ATOM 1079 CG TRP A 142 6.325 13.494 -13.254 1.00 0.00 ATOM 1080 CD1 TRP A 142 7.202 13.135 -14.236 1.00 0.00 ATOM 1081 CD2 TRP A 142 6.801 12.862 -12.050 1.00 0.00 ATOM 1082 NE1 TRP A 142 8.201 12.332 -13.723 1.00 0.00 ATOM 1083 CE2 TRP A 142 7.978 12.150 -12.386 1.00 0.00 ATOM 1084 CE3 TRP A 142 6.354 12.839 -10.723 1.00 0.00 ATOM 1085 CZ2 TRP A 142 8.710 11.422 -11.444 1.00 0.00 ATOM 1086 CZ3 TRP A 142 7.082 12.116 -9.784 1.00 0.00 ATOM 1087 CH2 TRP A 142 8.248 11.416 -10.152 1.00 0.00 ATOM 1088 N ARG A 143 2.407 15.215 -11.839 1.00 0.00 ATOM 1089 CA ARG A 143 1.460 16.260 -11.473 1.00 0.00 ATOM 1090 C ARG A 143 2.019 16.926 -10.226 1.00 0.00 ATOM 1091 O ARG A 143 2.871 16.359 -9.549 1.00 0.00 ATOM 1092 CB ARG A 143 0.074 15.668 -11.142 1.00 0.00 ATOM 1093 CG ARG A 143 -0.463 14.584 -12.102 1.00 0.00 ATOM 1094 CD ARG A 143 -1.877 14.118 -11.684 1.00 0.00 ATOM 1095 NE ARG A 143 -2.332 12.898 -12.377 1.00 0.00 ATOM 1096 CZ ARG A 143 -3.182 11.997 -11.860 1.00 0.00 ATOM 1097 NH1 ARG A 143 -3.686 12.166 -10.635 1.00 0.00 ATOM 1098 NH2 ARG A 143 -3.542 10.923 -12.566 1.00 0.00 ATOM 1099 N PHE A 144 1.579 18.145 -9.940 1.00 0.00 ATOM 1100 CA PHE A 144 2.022 18.831 -8.733 1.00 0.00 ATOM 1101 C PHE A 144 0.923 18.777 -7.673 1.00 0.00 ATOM 1102 O PHE A 144 -0.218 19.157 -7.918 1.00 0.00 ATOM 1103 CB PHE A 144 2.374 20.311 -9.009 1.00 0.00 ATOM 1104 CG PHE A 144 3.851 20.572 -9.211 1.00 0.00 ATOM 1105 CD1 PHE A 144 4.348 20.885 -10.466 1.00 0.00 ATOM 1106 CD2 PHE A 144 4.735 20.516 -8.141 1.00 0.00 ATOM 1107 CE1 PHE A 144 5.696 21.137 -10.651 1.00 0.00 ATOM 1108 CE2 PHE A 144 6.087 20.767 -8.317 1.00 0.00 ATOM 1109 CZ PHE A 144 6.569 21.078 -9.575 1.00 0.00 ATOM 1110 N SER A 145 1.278 18.283 -6.498 1.00 0.00 ATOM 1111 CA SER A 145 0.366 18.213 -5.366 1.00 0.00 ATOM 1112 C SER A 145 0.286 19.615 -4.778 1.00 0.00 ATOM 1113 O SER A 145 1.195 20.421 -4.986 1.00 0.00 ATOM 1114 CB SER A 145 0.973 17.294 -4.317 1.00 0.00 ATOM 1115 OG SER A 145 0.492 17.604 -3.029 1.00 0.00 ATOM 1116 N ARG A 146 -0.762 19.921 -4.021 1.00 0.00 ATOM 1117 CA ARG A 146 -0.799 21.248 -3.427 1.00 0.00 ATOM 1118 C ARG A 146 0.220 21.336 -2.292 1.00 0.00 ATOM 1119 O ARG A 146 0.482 22.417 -1.779 1.00 0.00 ATOM 1120 CB ARG A 146 -2.193 21.651 -2.963 1.00 0.00 ATOM 1121 CG ARG A 146 -2.663 21.015 -1.707 1.00 0.00 ATOM 1122 CD ARG A 146 -4.070 20.505 -1.938 1.00 0.00 ATOM 1123 NE ARG A 146 -4.755 20.213 -0.684 1.00 0.00 ATOM 1124 CZ ARG A 146 -5.723 19.315 -0.550 1.00 0.00 ATOM 1125 NH1 ARG A 146 -6.134 18.594 -1.599 1.00 0.00 ATOM 1126 NH2 ARG A 146 -6.286 19.152 0.641 1.00 0.00 ATOM 1127 N SER A 147 0.806 20.202 -1.907 1.00 0.00 ATOM 1128 CA SER A 147 1.845 20.203 -0.873 1.00 0.00 ATOM 1129 C SER A 147 3.164 20.650 -1.551 1.00 0.00 ATOM 1130 O SER A 147 4.181 20.892 -0.889 1.00 0.00 ATOM 1131 CB SER A 147 2.008 18.810 -0.246 1.00 0.00 ATOM 1132 OG SER A 147 2.525 17.870 -1.180 1.00 0.00 ATOM 1133 N GLY A 148 3.128 20.769 -2.877 1.00 0.00 ATOM 1134 CA GLY A 148 4.297 21.190 -3.613 1.00 0.00 ATOM 1135 C GLY A 148 5.119 20.048 -4.153 1.00 0.00 ATOM 1136 O GLY A 148 6.060 20.269 -4.910 1.00 0.00 ATOM 1137 N LEU A 149 4.784 18.824 -3.766 1.00 0.00 ATOM 1138 CA LEU A 149 5.528 17.668 -4.241 1.00 0.00 ATOM 1139 C LEU A 149 4.998 17.202 -5.569 1.00 0.00 ATOM 1140 O LEU A 149 3.799 17.207 -5.810 1.00 0.00 ATOM 1141 CB LEU A 149 5.445 16.526 -3.233 1.00 0.00 ATOM 1142 CG LEU A 149 6.132 16.756 -1.895 1.00 0.00 ATOM 1143 CD1 LEU A 149 5.898 15.562 -1.020 1.00 0.00 ATOM 1144 CD2 LEU A 149 7.616 16.972 -2.084 1.00 0.00 ATOM 1145 N ARG A 150 5.905 16.830 -6.453 1.00 0.00 ATOM 1146 CA ARG A 150 5.514 16.318 -7.759 1.00 0.00 ATOM 1147 C ARG A 150 5.277 14.815 -7.539 1.00 0.00 ATOM 1148 O ARG A 150 5.957 14.198 -6.723 1.00 0.00 ATOM 1149 CB ARG A 150 6.665 16.550 -8.733 1.00 0.00 ATOM 1150 CG ARG A 150 6.272 16.927 -10.136 1.00 0.00 ATOM 1151 CD ARG A 150 7.485 17.466 -10.890 1.00 0.00 ATOM 1152 NE ARG A 150 8.546 16.467 -10.959 1.00 0.00 ATOM 1153 CZ ARG A 150 8.910 15.824 -12.063 1.00 0.00 ATOM 1154 NH1 ARG A 150 8.307 16.073 -13.218 1.00 0.00 ATOM 1155 NH2 ARG A 150 9.851 14.899 -12.000 1.00 0.00 ATOM 1156 N TYR A 151 4.285 14.236 -8.201 1.00 0.00 ATOM 1157 CA TYR A 151 4.018 12.810 -8.047 1.00 0.00 ATOM 1158 C TYR A 151 3.398 12.249 -9.316 1.00 0.00 ATOM 1159 O TYR A 151 2.906 13.002 -10.158 1.00 0.00 ATOM 1160 CB TYR A 151 3.069 12.552 -6.868 1.00 0.00 ATOM 1161 CG TYR A 151 1.659 13.033 -7.111 1.00 0.00 ATOM 1162 CD1 TYR A 151 0.682 12.173 -7.608 1.00 0.00 ATOM 1163 CD2 TYR A 151 1.309 14.368 -6.890 1.00 0.00 ATOM 1164 CE1 TYR A 151 -0.609 12.633 -7.887 1.00 0.00 ATOM 1165 CE2 TYR A 151 0.019 14.837 -7.165 1.00 0.00 ATOM 1166 CZ TYR A 151 -0.931 13.965 -7.665 1.00 0.00 ATOM 1167 OH TYR A 151 -2.195 14.430 -7.961 1.00 0.00 ATOM 1168 N ARG A 152 3.474 10.931 -9.471 1.00 0.00 ATOM 1169 CA ARG A 152 2.865 10.259 -10.606 1.00 0.00 ATOM 1170 C ARG A 152 2.418 8.866 -10.230 1.00 0.00 ATOM 1171 O ARG A 152 2.920 8.270 -9.286 1.00 0.00 ATOM 1172 CB ARG A 152 3.769 10.228 -11.833 1.00 0.00 ATOM 1173 CG ARG A 152 5.071 9.525 -11.670 1.00 0.00 ATOM 1174 CD ARG A 152 5.712 9.376 -13.022 1.00 0.00 ATOM 1175 NE ARG A 152 7.075 8.903 -12.881 1.00 0.00 ATOM 1176 CZ ARG A 152 7.970 8.871 -13.863 1.00 0.00 ATOM 1177 NH1 ARG A 152 7.640 9.280 -15.077 1.00 0.00 ATOM 1178 NH2 ARG A 152 9.217 8.491 -13.606 1.00 0.00 ATOM 1179 N LEU A 153 1.430 8.376 -10.964 1.00 0.00 ATOM 1180 CA LEU A 153 0.860 7.069 -10.718 1.00 0.00 ATOM 1181 C LEU A 153 1.334 6.056 -11.743 1.00 0.00 ATOM 1182 O LEU A 153 1.555 6.387 -12.906 1.00 0.00 ATOM 1183 CB LEU A 153 -0.668 7.153 -10.739 1.00 0.00 ATOM 1184 CG LEU A 153 -1.325 8.282 -9.924 1.00 0.00 ATOM 1185 CD1 LEU A 153 -2.852 8.179 -10.009 1.00 0.00 ATOM 1186 CD2 LEU A 153 -0.877 8.258 -8.477 1.00 0.00 ATOM 1187 N TYR A 154 1.539 4.829 -11.278 1.00 0.00 ATOM 1188 CA TYR A 154 1.967 3.710 -12.111 1.00 0.00 ATOM 1189 C TYR A 154 0.965 2.580 -11.938 1.00 0.00 ATOM 1190 O TYR A 154 0.433 2.366 -10.851 1.00 0.00 ATOM 1191 CB TYR A 154 3.305 3.163 -11.635 1.00 0.00 ATOM 1192 CG TYR A 154 4.537 3.955 -11.965 1.00 0.00 ATOM 1193 CD1 TYR A 154 4.975 4.978 -11.128 1.00 0.00 ATOM 1194 CD2 TYR A 154 5.339 3.596 -13.054 1.00 0.00 ATOM 1195 CE1 TYR A 154 6.191 5.617 -11.359 1.00 0.00 ATOM 1196 CE2 TYR A 154 6.545 4.224 -13.295 1.00 0.00 ATOM 1197 CZ TYR A 154 6.975 5.229 -12.446 1.00 0.00 ATOM 1198 OH TYR A 154 8.204 5.818 -12.655 1.00 0.00 ATOM 1199 N SER A 155 0.734 1.829 -13.003 1.00 0.00 ATOM 1200 CA SER A 155 -0.163 0.691 -12.954 1.00 0.00 ATOM 1201 C SER A 155 0.575 -0.478 -13.564 1.00 0.00 ATOM 1202 O SER A 155 1.016 -0.416 -14.711 1.00 0.00 ATOM 1203 CB SER A 155 -1.441 0.973 -13.724 1.00 0.00 ATOM 1204 OG SER A 155 -2.278 1.811 -12.958 1.00 0.00 ATOM 1205 N TYR A 156 0.773 -1.512 -12.756 1.00 0.00 ATOM 1206 CA TYR A 156 1.478 -2.701 -13.189 1.00 0.00 ATOM 1207 C TYR A 156 0.574 -3.894 -13.118 1.00 0.00 ATOM 1208 O TYR A 156 -0.313 -3.974 -12.265 1.00 0.00 ATOM 1209 CB TYR A 156 2.655 -2.988 -12.279 1.00 0.00 ATOM 1210 CG TYR A 156 3.749 -1.970 -12.293 1.00 0.00 ATOM 1211 CD1 TYR A 156 3.755 -0.923 -11.372 1.00 0.00 ATOM 1212 CD2 TYR A 156 4.827 -2.096 -13.166 1.00 0.00 ATOM 1213 CE1 TYR A 156 4.798 -0.038 -11.312 1.00 0.00 ATOM 1214 CE2 TYR A 156 5.883 -1.214 -13.114 1.00 0.00 ATOM 1215 CZ TYR A 156 5.863 -0.187 -12.182 1.00 0.00 ATOM 1216 OH TYR A 156 6.925 0.679 -12.091 1.00 0.00 ATOM 1217 N HIS A 157 0.865 -4.856 -13.984 1.00 0.00 ATOM 1218 CA HIS A 157 0.126 -6.102 -14.050 1.00 0.00 ATOM 1219 C HIS A 157 1.036 -7.207 -14.588 1.00 0.00 ATOM 1220 O HIS A 157 2.131 -6.954 -15.106 1.00 0.00 ATOM 1221 CB HIS A 157 -1.112 -5.951 -14.939 1.00 0.00 ATOM 1222 CG HIS A 157 -0.796 -5.532 -16.341 1.00 0.00 ATOM 1223 ND1 HIS A 157 -0.382 -4.254 -16.662 1.00 0.00 ATOM 1224 CD2 HIS A 157 -0.803 -6.229 -17.505 1.00 0.00 ATOM 1225 CE1 HIS A 157 -0.146 -4.184 -17.961 1.00 0.00 ATOM 1226 NE2 HIS A 157 -0.394 -5.368 -18.497 1.00 0.00 ATOM 1227 N ARG A 158 0.601 -8.438 -14.359 1.00 0.00 ATOM 1228 CA ARG A 158 1.283 -9.631 -14.822 1.00 0.00 ATOM 1229 C ARG A 158 0.252 -10.735 -14.697 1.00 0.00 ATOM 1230 O ARG A 158 -0.747 -10.579 -13.993 1.00 0.00 ATOM 1231 CB ARG A 158 2.541 -9.924 -14.001 1.00 0.00 ATOM 1232 CG ARG A 158 2.325 -10.464 -12.617 1.00 0.00 ATOM 1233 CD ARG A 158 3.664 -10.801 -11.994 1.00 0.00 ATOM 1234 NE ARG A 158 3.505 -11.145 -10.584 1.00 0.00 ATOM 1235 CZ ARG A 158 4.498 -11.450 -9.760 1.00 0.00 ATOM 1236 NH1 ARG A 158 5.749 -11.479 -10.194 1.00 0.00 ATOM 1237 NH2 ARG A 158 4.245 -11.665 -8.480 1.00 0.00 ATOM 1238 N SER A 159 0.433 -11.814 -15.442 1.00 0.00 ATOM 1239 CA SER A 159 -0.533 -12.901 -15.384 1.00 0.00 ATOM 1240 C SER A 159 -0.099 -14.117 -14.575 1.00 0.00 ATOM 1241 O SER A 159 -0.928 -15.051 -14.493 1.00 0.00 ATOM 1242 CB SER A 159 -0.960 -13.298 -16.792 1.00 0.00 ATOM 1243 OG SER A 159 -1.558 -12.189 -17.443 1.00 0.00 ATOM 1244 OXT SER A 159 1.011 -14.089 -13.973 1.00 0.00 TER 1245 SER A 159 MODEL 6 REMARK VINA RESULT: -6.4 4.357 6.858 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 -1.280 3.402 5.849 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -1.885 4.174 4.665 1.00 20.00 HETATM 3 C1 TOP A 201 -1.933 5.570 4.687 1.00 20.00 HETATM 4 N2 TOP A 201 -2.512 6.398 3.794 1.00 20.00 HETATM 5 C3 TOP A 201 -3.078 5.800 2.676 1.00 20.00 HETATM 6 N5 TOP A 201 -2.994 4.421 2.437 1.00 20.00 HETATM 7 C6 TOP A 201 -2.420 3.626 3.438 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 -3.736 6.595 1.752 1.00 20.00 HETATM 9 H41 TOP A 201 -3.660 7.581 1.672 1.00 20.00 HETATM 10 H42 TOP A 201 -4.356 6.197 1.045 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 -2.422 2.286 3.134 1.00 20.00 HETATM 12 H71 TOP A 201 -2.599 1.525 3.765 1.00 20.00 HETATM 13 H72 TOP A 201 -2.236 1.950 2.198 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 0.237 3.020 5.804 1.00 20.00 HETATM 15 C11 TOP A 201 0.943 2.857 4.593 1.00 20.00 HETATM 16 C12 TOP A 201 2.273 2.378 4.526 1.00 20.00 HETATM 17 C15 TOP A 201 3.015 2.226 5.736 1.00 20.00 HETATM 18 C18 TOP A 201 2.362 2.514 6.972 1.00 20.00 HETATM 19 C21 TOP A 201 0.996 2.883 6.980 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 2.909 2.276 3.294 1.00 20.00 HETATM 21 C14 TOP A 201 3.064 3.437 2.482 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 4.371 1.996 5.709 1.00 20.00 HETATM 23 C17 TOP A 201 4.823 0.653 5.814 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 3.084 2.522 8.155 1.00 20.00 HETATM 25 C20 TOP A 201 3.088 1.329 8.931 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL laila/./laila-vina.pdbqt0000664000076600007660000006044312307606043014730 0ustar galaxygalaxyMODEL 1 REMARK VINA RESULT: -6.8 0.000 0.000 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C3_3 and N4_4 REMARK 2 A between atoms: C6_6 and N7_7 REMARK 3 A between atoms: C8_8 and C9_9 REMARK 4 A between atoms: C9_9 and C10_10 REMARK 5 A between atoms: C12_12 and O13_13 REMARK 6 A between atoms: C15_15 and O16_16 REMARK 7 A between atoms: C18_18 and O19_19 ROOT HETATM 1 C9 TOP A 201 3.373 2.655 3.888 1.00 20.00 0.082 C ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 3.899 2.168 5.248 1.00 20.00 0.010 A HETATM 3 C1 TOP A 201 4.069 0.803 5.487 1.00 20.00 0.147 A HETATM 4 N2 TOP A 201 4.419 0.196 6.639 1.00 20.00 -0.075 NA HETATM 5 C3 TOP A 201 4.712 1.029 7.711 1.00 20.00 0.721 A HETATM 6 N5 TOP A 201 4.722 2.427 7.596 1.00 20.00 -0.045 NA HETATM 7 C6 TOP A 201 4.298 2.977 6.378 1.00 20.00 0.148 A BRANCH 5 8 HETATM 8 N4 TOP A 201 5.023 0.462 8.935 1.00 20.00 -0.231 N HETATM 9 H41 TOP A 201 5.475 -0.411 9.077 1.00 20.00 0.174 HD HETATM 10 H42 TOP A 201 4.817 0.936 9.816 1.00 20.00 0.174 HD ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 4.299 4.351 6.376 1.00 20.00 -0.383 N HETATM 12 H71 TOP A 201 3.600 4.955 6.770 1.00 20.00 0.157 H