rr/./0000775000076600007660000000000012303120275011203 5ustar galaxygalaxyrr/./complex-rr-3.pdb0000664000076600007660000024746612303120275014145 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: -6.3 3.378 5.228 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 -2.345 3.098 3.151 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -0.873 3.256 2.738 1.00 20.00 HETATM 3 C1 TOP A 201 -0.528 4.092 1.673 1.00 20.00 HETATM 4 N2 TOP A 201 0.686 4.270 1.113 1.00 20.00 HETATM 5 C3 TOP A 201 1.743 3.593 1.704 1.00 20.00 HETATM 6 N5 TOP A 201 1.587 2.822 2.866 1.00 20.00 HETATM 7 C6 TOP A 201 0.285 2.647 3.353 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 3.004 3.694 1.140 1.00 20.00 HETATM 9 H41 TOP A 201 3.652 2.951 1.023 1.00 20.00 HETATM 10 H42 TOP A 201 3.359 4.578 0.772 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 0.227 1.841 4.466 1.00 20.00 HETATM 12 H71 TOP A 201 0.775 1.018 4.642 1.00 20.00 HETATM 13 H72 TOP A 201 -0.408 2.030 5.230 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 -2.971 4.149 4.129 1.00 20.00 HETATM 15 C11 TOP A 201 -4.359 4.395 4.190 1.00 20.00 HETATM 16 C12 TOP A 201 -4.931 5.435 4.961 1.00 20.00 HETATM 17 C15 TOP A 201 -4.103 6.156 5.873 1.00 20.00 HETATM 18 C18 TOP A 201 -2.713 5.833 5.926 1.00 20.00 HETATM 19 C21 TOP A 201 -2.181 4.859 5.049 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 -6.312 5.592 4.993 1.00 20.00 HETATM 21 C14 TOP A 201 -6.943 6.473 4.067 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 -4.651 7.002 6.809 1.00 20.00 HETATM 23 C17 TOP A 201 -4.740 8.384 6.488 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 -1.904 6.403 6.896 1.00 20.00 HETATM 25 C20 TOP A 201 -1.547 5.595 8.012 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL rr/./outfile-rr-4.pdb0000664000076600007660000000460612303120275014131 0ustar galaxygalaxyMODEL 5 REMARK VINA RESULT: -6.0 3.541 4.792 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 -1.137 3.487 5.743 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -1.649 4.932 5.851 1.00 20.00 HETATM 3 C1 TOP A 201 -2.166 5.580 4.727 1.00 20.00 HETATM 4 N2 TOP A 201 -2.561 6.865 4.614 1.00 20.00 HETATM 5 C3 TOP A 201 -2.512 7.629 5.772 1.00 20.00 HETATM 6 N5 TOP A 201 -2.148 7.089 7.014 1.00 20.00 HETATM 7 C6 TOP A 201 -1.703 5.760 7.035 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 -2.853 8.969 5.705 1.00 20.00 HETATM 9 H41 TOP A 201 -3.473 9.445 6.318 1.00 20.00 HETATM 10 H42 TOP A 201 -2.455 9.592 5.000 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 -1.326 5.336 8.287 1.00 20.00 HETATM 12 H71 TOP A 201 -1.932 5.134 9.062 1.00 20.00 HETATM 13 H72 TOP A 201 -0.356 5.187 8.530 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 0.408 3.232 5.738 1.00 20.00 HETATM 15 C11 TOP A 201 1.146 3.019 6.922 1.00 20.00 HETATM 16 C12 TOP A 201 2.557 2.927 6.952 1.00 20.00 HETATM 17 C15 TOP A 201 3.273 2.854 5.719 1.00 20.00 HETATM 18 C18 TOP A 201 2.533 2.933 4.501 1.00 20.00 HETATM 19 C21 TOP A 201 1.133 3.136 4.537 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 3.208 2.684 8.157 1.00 20.00 HETATM 21 C14 TOP A 201 3.057 1.420 8.798 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 4.608 2.524 5.695 1.00 20.00 HETATM 23 C17 TOP A 201 4.958 1.148 5.766 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 3.166 2.719 3.287 1.00 20.00 HETATM 25 C20 TOP A 201 3.080 3.751 2.310 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL rr/./complex-rr-7.pdb0000664000076600007660000024746612303120275014151 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: -5.9 15.258 17.216 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 12.650 -0.126 -7.104 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 13.065 0.096 -5.640 1.00 20.00 HETATM 3 C1 TOP A 201 14.301 0.675 -5.341 1.00 20.00 HETATM 4 N2 TOP A 201 14.867 0.851 -4.130 1.00 20.00 HETATM 5 C3 TOP A 201 14.106 0.471 -3.032 1.00 20.00 HETATM 6 N5 TOP A 201 12.790 0.001 -3.156 1.00 20.00 HETATM 7 C6 TOP A 201 12.296 -0.200 -4.452 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 14.656 0.577 -1.766 1.00 20.00 HETATM 9 H41 TOP A 201 14.600 -0.105 -1.046 1.00 20.00 HETATM 10 H42 TOP A 201 15.199 1.394 -1.481 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 11.018 -0.705 -4.472 1.00 20.00 HETATM 12 H71 TOP A 201 10.459 -0.899 -5.284 1.00 20.00 HETATM 13 H72 TOP A 201 10.519 -0.930 -3.621 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 11.610 0.849 -7.750 1.00 20.00 HETATM 15 C11 TOP A 201 10.331 0.426 -8.168 1.00 20.00 HETATM 16 C12 TOP A 201 9.431 1.255 -8.879 1.00 20.00 HETATM 17 C15 TOP A 201 9.735 2.642 -9.023 1.00 20.00 HETATM 18 C18 TOP A 201 10.968 3.124 -8.488 1.00 20.00 HETATM 19 C21 TOP A 201 11.876 2.223 -7.886 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 8.174 0.771 -9.228 1.00 20.00 HETATM 21 C14 TOP A 201 7.229 0.464 -8.207 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 8.791 3.528 -9.489 1.00 20.00 HETATM 23 C17 TOP A 201 7.915 4.128 -8.544 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 11.235 4.484 -8.476 1.00 20.00 HETATM 25 C20 TOP A 201 12.045 5.004 -9.524 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL rr/./ligand-rr-opt.options.pickle0000664000076600007660000000536312303120041016543 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-rr-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-rr-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.rr/./outfile-rr-0.pdb0000664000076600007660000000460612303120275014125 0ustar galaxygalaxyMODEL 1 REMARK VINA RESULT: -6.7 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 -2.140 2.930 3.491 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -1.937 3.468 2.065 1.00 20.00 HETATM 3 C1 TOP A 201 -2.401 4.740 1.721 1.00 20.00 HETATM 4 N2 TOP A 201 -2.401 5.326 0.506 1.00 20.00 HETATM 5 C3 TOP A 201 -1.810 4.609 -0.525 1.00 20.00 HETATM 6 N5 TOP A 201 -1.176 3.375 -0.316 1.00 20.00 HETATM 7 C6 TOP A 201 -1.265 2.813 0.965 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 -1.830 5.136 -1.805 1.00 20.00 HETATM 9 H41 TOP A 201 -2.593 5.606 -2.231 1.00 20.00 HETATM 10 H42 TOP A 201 -1.014 5.091 -2.418 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 -0.653 1.586 1.061 1.00 20.00 HETATM 12 H71 TOP A 201 -1.072 0.726 1.368 1.00 20.00 HETATM 13 H72 TOP A 201 0.319 1.453 0.814 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 -0.970 3.067 4.522 1.00 20.00 HETATM 15 C11 TOP A 201 -0.974 4.033 5.551 1.00 20.00 HETATM 16 C12 TOP A 201 0.131 4.266 6.403 1.00 20.00 HETATM 17 C15 TOP A 201 1.239 3.367 6.361 1.00 20.00 HETATM 18 C18 TOP A 201 1.208 2.297 5.416 1.00 20.00 HETATM 19 C21 TOP A 201 0.124 2.183 4.515 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 0.035 5.215 7.415 1.00 20.00 HETATM 21 C14 TOP A 201 -0.711 6.409 7.193 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 2.219 3.407 7.325 1.00 20.00 HETATM 23 C17 TOP A 201 3.435 4.076 7.014 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 2.189 1.319 5.440 1.00 20.00 HETATM 25 C20 TOP A 201 2.777 0.947 4.199 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL rr/./outfile-rr-8.pdb0000664000076600007660000000460612303120275014135 0ustar galaxygalaxyMODEL 9 REMARK VINA RESULT: -5.8 15.297 17.206 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 12.866 -0.084 -7.028 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 13.210 0.075 -5.538 1.00 20.00 HETATM 3 C1 TOP A 201 14.445 0.605 -5.155 1.00 20.00 HETATM 4 N2 TOP A 201 14.951 0.721 -3.910 1.00 20.00 HETATM 5 C3 TOP A 201 14.123 0.327 -2.868 1.00 20.00 HETATM 6 N5 TOP A 201 12.803 -0.098 -3.076 1.00 20.00 HETATM 7 C6 TOP A 201 12.372 -0.238 -4.403 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 14.609 0.372 -1.572 1.00 20.00 HETATM 9 H41 TOP A 201 15.486 0.741 -1.290 1.00 20.00 HETATM 10 H42 TOP A 201 14.062 0.030 -0.780 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 11.082 -0.702 -4.506 1.00 20.00 HETATM 12 H71 TOP A 201 10.717 -1.558 -4.127 1.00 20.00 HETATM 13 H72 TOP A 201 10.366 -0.185 -5.000 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 11.795 0.867 -7.660 1.00 20.00 HETATM 15 C11 TOP A 201 12.046 2.232 -7.912 1.00 20.00 HETATM 16 C12 TOP A 201 11.051 3.138 -8.351 1.00 20.00 HETATM 17 C15 TOP A 201 9.777 2.629 -8.743 1.00 20.00 HETATM 18 C18 TOP A 201 9.541 1.226 -8.623 1.00 20.00 HETATM 19 C21 TOP A 201 10.539 0.388 -8.073 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 11.388 4.463 -8.607 1.00 20.00 HETATM 21 C14 TOP A 201 12.601 4.762 -9.291 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 8.867 3.428 -9.397 1.00 20.00 HETATM 23 C17 TOP A 201 7.919 4.139 -8.612 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 8.376 0.671 -9.128 1.00 20.00 HETATM 25 C20 TOP A 201 7.302 0.457 -8.218 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL rr/./ligand-rr-normal.pdb0000664000076600007660000000377112303117664015057 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 rr/./complex-rr-6.pdb0000664000076600007660000024746612303120275014150 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: -6.0 4.061 6.218 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 -1.187 2.383 4.834 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 0.331 2.572 4.977 1.00 20.00 HETATM 3 C1 TOP A 201 1.198 2.047 4.016 1.00 20.00 HETATM 4 N2 TOP A 201 2.547 2.029 4.032 1.00 20.00 HETATM 5 C3 TOP A 201 3.160 2.668 5.101 1.00 20.00 HETATM 6 N5 TOP A 201 2.433 3.364 6.078 1.00 20.00 HETATM 7 C6 TOP A 201 1.035 3.290 6.016 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 4.541 2.634 5.200 1.00 20.00 HETATM 9 H41 TOP A 201 5.068 2.061 5.816 1.00 20.00 HETATM 10 H42 TOP A 201 5.137 3.211 4.604 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 0.412 3.964 7.040 1.00 20.00 HETATM 12 H71 TOP A 201 0.691 3.986 8.004 1.00 20.00 HETATM 13 H72 TOP A 201 -0.420 4.519 6.886 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 -2.024 3.500 4.124 1.00 20.00 HETATM 15 C11 TOP A 201 -2.920 4.337 4.824 1.00 20.00 HETATM 16 C12 TOP A 201 -3.786 5.255 4.185 1.00 20.00 HETATM 17 C15 TOP A 201 -3.628 5.498 2.787 1.00 20.00 HETATM 18 C18 TOP A 201 -2.633 4.757 2.079 1.00 20.00 HETATM 19 C21 TOP A 201 -1.874 3.773 2.753 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 -4.617 6.067 4.949 1.00 20.00 HETATM 21 C14 TOP A 201 -5.976 5.689 5.154 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 -4.275 6.545 2.174 1.00 20.00 HETATM 23 C17 TOP A 201 -3.838 7.865 2.469 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 -2.346 5.064 0.759 1.00 20.00 HETATM 25 C20 TOP A 201 -1.094 4.629 0.240 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL rr/./complex-rr-5.pdb0000664000076600007660000024746612303120275014147 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: -6.0 6.528 8.959 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 4.222 0.430 9.255 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 4.038 1.177 7.924 1.00 20.00 HETATM 3 C1 TOP A 201 4.106 0.482 6.714 1.00 20.00 HETATM 4 N2 TOP A 201 4.070 0.984 5.463 1.00 20.00 HETATM 5 C3 TOP A 201 3.877 2.354 5.352 1.00 20.00 HETATM 6 N5 TOP A 201 3.654 3.174 6.468 1.00 20.00 HETATM 7 C6 TOP A 201 3.757 2.582 7.735 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 3.887 2.933 4.095 1.00 20.00 HETATM 9 H41 TOP A 201 4.401 2.613 3.308 1.00 20.00 HETATM 10 H42 TOP A 201 3.323 3.757 3.877 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 3.567 3.472 8.765 1.00 20.00 HETATM 12 H71 TOP A 201 4.278 3.903 9.328 1.00 20.00 HETATM 13 H72 TOP A 201 2.643 3.775 9.046 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 5.575 0.587 10.028 1.00 20.00 HETATM 15 C11 TOP A 201 5.637 0.726 11.430 1.00 20.00 HETATM 16 C12 TOP A 201 6.832 1.008 12.132 1.00 20.00 HETATM 17 C15 TOP A 201 8.074 0.966 11.429 1.00 20.00 HETATM 18 C18 TOP A 201 8.050 0.694 10.027 1.00 20.00 HETATM 19 C21 TOP A 201 6.812 0.530 9.362 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 6.814 1.099 13.520 1.00 20.00 HETATM 21 C14 TOP A 201 5.703 0.580 14.246 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 9.271 0.995 12.105 1.00 20.00 HETATM 23 C17 TOP A 201 9.900 2.255 12.297 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 9.235 0.499 9.336 1.00 20.00 HETATM 25 C20 TOP A 201 9.678 -0.842 9.156 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL rr/./rr-vina.log0000664000076600007660000000314012303120275013262 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: 1088920708 Performing search ... done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.7 0.000 0.000 2 -6.5 2.300 3.155 3 -6.3 5.808 8.085 4 -6.3 3.378 5.228 5 -6.0 3.541 4.792 6 -6.0 6.528 8.959 7 -6.0 4.061 6.218 8 -5.9 15.258 17.216 9 -5.8 15.297 17.206 Writing output ... done. rr/./REC-rr-normal.pdbqt0000664000076600007660000030233412303120044014556 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 rr/./complex-rr-2.pdb0000664000076600007660000024746612303120275014144 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 3 REMARK VINA RESULT: -6.3 5.808 8.085 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 3.653 0.975 8.554 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 3.424 1.660 7.197 1.00 20.00 HETATM 3 C1 TOP A 201 4.397 1.581 6.197 1.00 20.00 HETATM 4 N2 TOP A 201 4.411 2.198 4.998 1.00 20.00 HETATM 5 C3 TOP A 201 3.292 2.957 4.682 1.00 20.00 HETATM 6 N5 TOP A 201 2.169 3.026 5.519 1.00 20.00 HETATM 7 C6 TOP A 201 2.257 2.397 6.769 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 3.273 3.658 3.488 1.00 20.00 HETATM 9 H41 TOP A 201 3.762 4.500 3.297 1.00 20.00 HETATM 10 H42 TOP A 201 2.745 3.328 2.678 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 1.127 2.558 7.535 1.00 20.00 HETATM 12 H71 TOP A 201 0.187 2.687 7.204 1.00 20.00 HETATM 13 H72 TOP A 201 1.163 2.557 8.546 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 5.083 0.434 8.894 1.00 20.00 HETATM 15 C11 TOP A 201 6.069 1.234 9.510 1.00 20.00 HETATM 16 C12 TOP A 201 7.406 0.811 9.699 1.00 20.00 HETATM 17 C15 TOP A 201 7.745 -0.550 9.434 1.00 20.00 HETATM 18 C18 TOP A 201 6.727 -1.417 8.935 1.00 20.00 HETATM 19 C21 TOP A 201 5.437 -0.906 8.662 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 8.311 1.647 10.343 1.00 20.00 HETATM 21 C14 TOP A 201 9.274 2.368 9.578 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 8.959 -1.065 9.826 1.00 20.00 HETATM 23 C17 TOP A 201 9.958 -1.251 8.831 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 6.972 -2.775 8.804 1.00 20.00 HETATM 25 C20 TOP A 201 5.847 -3.637 8.681 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL rr/./outfile-rr-9.pdb0000664000076600007660000000000012303120275014116 0ustar galaxygalaxyrr/./ligand-rr-opt.ccd0000664000076600007660000000316312303120042014330 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 Feb 25 19:22:34 2014 REMARK REMARK Input file: ligand-rr-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 rr/./out-rr.pdb0000664000076600007660000033112412303120042013116 0ustar galaxygalaxyREMARK 4 REMARK 4 File created by VEGA 3.0.0 REMARK 4 ATOM 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 CONECT 1 2 CONECT 2 5 1 3 CONECT 3 2 4 9 CONECT 4 3 CONECT 5 6 2 CONECT 6 5 7 CONECT 7 6 8 CONECT 8 7 CONECT 9 3 10 CONECT 10 9 13 11 CONECT 11 10 12 16 CONECT 12 11 CONECT 13 10 14 15 CONECT 14 13 CONECT 15 13 CONECT 16 11 17 CONECT 17 16 18 CONECT 18 17 20 19 CONECT 19 18 CONECT 20 18 21 CONECT 21 20 22 24 CONECT 22 23 21 28 CONECT 23 22 CONECT 24 21 25 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 CONECT 28 22 29 CONECT 29 28 32 30 CONECT 30 29 31 36 CONECT 31 30 CONECT 32 29 33 34 CONECT 33 35 32 CONECT 34 32 CONECT 35 33 CONECT 36 30 37 CONECT 37 36 40 38 CONECT 38 37 39 50 CONECT 39 38 CONECT 40 37 41 CONECT 41 40 42 43 CONECT 42 41 44 CONECT 43 45 46 41 CONECT 44 45 42 CONECT 45 47 43 44 CONECT 46 48 43 CONECT 47 49 45 CONECT 48 49 46 CONECT 49 48 47 CONECT 50 38 51 CONECT 51 50 52 54 CONECT 52 51 53 55 CONECT 53 52 CONECT 54 51 CONECT 55 52 56 CONECT 56 55 59 57 CONECT 57 56 58 64 CONECT 58 57 CONECT 59 60 56 CONECT 60 61 59 CONECT 61 62 60 63 CONECT 62 61 CONECT 63 61 CONECT 64 57 65 CONECT 65 64 66 68 CONECT 66 69 67 65 CONECT 67 66 CONECT 68 65 CONECT 69 70 66 CONECT 70 69 71 73 CONECT 71 72 70 76 CONECT 72 71 CONECT 73 74 70 75 CONECT 74 73 CONECT 75 73 CONECT 76 71 77 CONECT 77 78 76 80 CONECT 78 77 79 82 CONECT 79 78 CONECT 80 77 81 CONECT 81 80 CONECT 82 78 83 CONECT 83 84 82 CONECT 84 85 83 86 CONECT 85 84 CONECT 86 84 87 CONECT 87 86 88 90 CONECT 88 87 89 93 CONECT 89 88 CONECT 90 87 91 92 CONECT 91 90 CONECT 92 90 CONECT 93 94 88 CONECT 94 95 97 93 CONECT 95 94 96 101 CONECT 96 95 CONECT 97 98 94 99 CONECT 98 100 97 CONECT 99 97 CONECT 100 98 CONECT 101 95 102 CONECT 102 101 103 CONECT 103 102 104 105 CONECT 104 103 CONECT 105 103 106 CONECT 106 105 107 109 CONECT 107 106 116 108 CONECT 108 107 CONECT 109 106 110 CONECT 110 109 111 CONECT 111 112 110 CONECT 112 113 111 CONECT 113 112 114 115 CONECT 114 113 CONECT 115 113 CONECT 116 107 117 CONECT 117 116 118 CONECT 118 120 117 119 CONECT 119 118 CONECT 120 121 118 CONECT 121 120 122 CONECT 122 121 123 124 CONECT 123 122 CONECT 124 122 125 CONECT 125 124 126 128 CONECT 126 127 132 125 CONECT 127 126 CONECT 128 125 129 CONECT 129 128 130 131 CONECT 130 129 CONECT 131 129 CONECT 132 133 126 CONECT 133 136 132 134 CONECT 134 133 140 135 CONECT 135 134 CONECT 136 138 137 133 CONECT 137 136 139 CONECT 138 136 CONECT 139 137 CONECT 140 134 146 141 CONECT 141 140 142 144 CONECT 142 141 147 143 CONECT 143 142 CONECT 144 145 141 CONECT 145 146 144 CONECT 146 140 145 CONECT 147 148 142 CONECT 148 149 151 147 CONECT 149 150 148 161 CONECT 150 149 CONECT 151 148 152 CONECT 152 154 151 153 CONECT 153 155 152 CONECT 154 156 157 152 CONECT 155 156 153 CONECT 156 154 155 158 CONECT 157 154 159 CONECT 158 156 160 CONECT 159 157 160 CONECT 160 158 159 CONECT 161 149 162 CONECT 162 163 165 161 CONECT 163 172 162 164 CONECT 164 163 CONECT 165 162 166 CONECT 166 165 167 CONECT 167 168 166 CONECT 168 167 169 CONECT 169 168 170 171 CONECT 170 169 CONECT 171 169 CONECT 172 173 163 CONECT 173 174 176 172 CONECT 174 175 173 180 CONECT 175 174 CONECT 176 173 177 CONECT 177 176 178 179 CONECT 178 177 CONECT 179 177 CONECT 180 174 181 186 CONECT 181 180 182 184 CONECT 182 183 187 181 CONECT 183 182 CONECT 184 185 181 CONECT 185 184 186 CONECT 186 180 185 CONECT 187 188 182 CONECT 188 191 189 187 CONECT 189 190 188 196 CONECT 190 189 CONECT 191 192 188 CONECT 192 191 193 CONECT 193 192 195 194 CONECT 194 193 CONECT 195 193 CONECT 196 197 189 CONECT 197 198 200 196 CONECT 198 199 204 197 CONECT 199 198 CONECT 200 197 201 CONECT 201 200 202 203 CONECT 202 201 CONECT 203 201 CONECT 204 205 198 CONECT 205 204 206 208 CONECT 206 205 207 213 CONECT 207 206 CONECT 208 205 209 CONECT 209 208 210 CONECT 210 209 211 212 CONECT 211 210 CONECT 212 210 CONECT 213 214 206 CONECT 214 213 215 217 CONECT 215 216 218 214 CONECT 216 215 CONECT 217 214 CONECT 218 219 215 CONECT 219 218 220 222 CONECT 220 221 219 228 CONECT 221 220 CONECT 222 219 223 CONECT 223 222 225 224 CONECT 224 226 223 CONECT 225 227 223 CONECT 226 227 224 CONECT 227 226 225 CONECT 228 220 229 CONECT 229 228 230 232 CONECT 230 229 231 239 CONECT 231 230 CONECT 232 229 233 CONECT 233 232 234 235 CONECT 234 233 236 CONECT 235 233 237 CONECT 236 234 238 CONECT 237 238 235 CONECT 238 236 237 CONECT 239 240 230 CONECT 240 241 239 243 CONECT 241 250 240 242 CONECT 242 241 CONECT 243 240 244 CONECT 244 245 243 CONECT 245 246 244 CONECT 246 245 247 CONECT 247 246 248 249 CONECT 248 247 CONECT 249 247 CONECT 250 251 241 CONECT 251 250 252 254 CONECT 252 251 253 259 CONECT 253 252 CONECT 254 251 255 CONECT 255 256 254 CONECT 256 258 257 255 CONECT 257 256 CONECT 258 256 CONECT 259 260 252 CONECT 260 261 263 259 CONECT 261 260 262 267 CONECT 262 261 CONECT 263 260 265 264 CONECT 264 266 263 CONECT 265 263 CONECT 266 264 CONECT 267 261 268 CONECT 268 267 269 271 CONECT 269 268 270 274 CONECT 270 269 CONECT 271 268 272 273 CONECT 272 271 CONECT 273 271 CONECT 274 275 269 CONECT 275 276 274 278 CONECT 276 275 277 282 CONECT 277 276 CONECT 278 275 279 CONECT 279 278 280 CONECT 280 279 281 CONECT 281 280 CONECT 282 283 276 CONECT 283 284 282 CONECT 284 283 285 286 CONECT 285 284 CONECT 286 284 287 CONECT 287 286 288 290 CONECT 288 296 287 289 CONECT 289 288 CONECT 290 287 291 CONECT 291 292 293 290 CONECT 292 294 291 CONECT 293 295 291 CONECT 294 292 295 CONECT 295 294 293 CONECT 296 288 297 CONECT 297 296 298 300 CONECT 298 297 299 303 CONECT 299 298 CONECT 300 297 301 302 CONECT 301 300 CONECT 302 300 CONECT 303 298 304 CONECT 304 303 305 307 CONECT 305 311 304 306 CONECT 306 305 CONECT 307 308 309 304 CONECT 308 307 310 CONECT 309 307 CONECT 310 308 CONECT 311 312 305 CONECT 312 311 315 313 CONECT 313 312 314 318 CONECT 314 313 CONECT 315 312 317 316 CONECT 316 315 CONECT 317 315 CONECT 318 313 319 CONECT 319 318 320 322 CONECT 320 321 319 326 CONECT 321 320 CONECT 322 319 323 CONECT 323 322 324 CONECT 324 325 323 CONECT 325 324 CONECT 326 320 327 CONECT 327 326 328 CONECT 328 327 330 329 CONECT 329 328 CONECT 330 328 331 CONECT 331 330 334 332 CONECT 332 333 331 341 CONECT 333 332 CONECT 334 335 331 CONECT 335 334 336 CONECT 336 335 337 CONECT 337 336 338 CONECT 338 337 339 340 CONECT 339 338 CONECT 340 338 CONECT 341 332 342 CONECT 342 345 343 341 CONECT 343 344 352 342 CONECT 344 343 CONECT 345 342 346 CONECT 346 345 347 CONECT 347 346 348 CONECT 348 347 349 CONECT 349 350 348 351 CONECT 350 349 CONECT 351 349 CONECT 352 343 353 CONECT 353 356 354 352 CONECT 354 355 359 353 CONECT 355 354 CONECT 356 358 357 353 CONECT 357 356 CONECT 358 356 CONECT 359 354 360 CONECT 360 363 359 361 CONECT 361 360 362 373 CONECT 362 361 CONECT 363 360 364 CONECT 364 363 365 366 CONECT 365 364 367 CONECT 366 369 364 368 CONECT 367 365 368 CONECT 368 366 367 370 CONECT 369 371 366 CONECT 370 372 368 CONECT 371 369 372 CONECT 372 371 370 CONECT 373 361 374 CONECT 374 373 375 377 CONECT 375 374 381 376 CONECT 376 375 CONECT 377 374 378 CONECT 378 377 380 379 CONECT 379 378 CONECT 380 378 CONECT 381 382 375 CONECT 382 383 385 381 CONECT 383 384 387 382 CONECT 384 383 CONECT 385 382 386 CONECT 386 385 CONECT 387 383 388 CONECT 388 391 387 389 CONECT 389 388 395 390 CONECT 390 389 CONECT 391 392 388 CONECT 392 393 391 394 CONECT 393 392 CONECT 394 392 CONECT 395 401 396 389 CONECT 396 395 397 399 CONECT 397 398 396 402 CONECT 398 397 CONECT 399 400 396 CONECT 400 401 399 CONECT 401 395 400 CONECT 402 403 397 CONECT 403 402 406 404 CONECT 404 405 407 403 CONECT 405 404 CONECT 406 403 CONECT 407 404 408 CONECT 408 407 409 411 CONECT 409 416 408 410 CONECT 410 409 CONECT 411 408 412 CONECT 412 411 413 CONECT 413 414 412 CONECT 414 415 413 CONECT 415 414 CONECT 416 417 409 CONECT 417 418 416 420 CONECT 418 419 423 417 CONECT 419 418 CONECT 420 417 421 422 CONECT 421 420 CONECT 422 420 CONECT 423 418 424 CONECT 424 427 423 425 CONECT 425 434 424 426 CONECT 426 425 CONECT 427 424 428 CONECT 428 427 429 CONECT 429 430 428 CONECT 430 429 431 CONECT 431 430 432 433 CONECT 432 431 CONECT 433 431 CONECT 434 435 425 440 CONECT 435 434 436 438 CONECT 436 441 437 435 CONECT 437 436 CONECT 438 439 435 CONECT 439 438 440 CONECT 440 439 434 CONECT 441 442 436 CONECT 442 443 441 445 CONECT 443 444 442 449 CONECT 444 443 CONECT 445 442 446 CONECT 446 445 447 448 CONECT 447 446 CONECT 448 446 CONECT 449 443 450 455 CONECT 450 451 449 453 CONECT 451 452 456 450 CONECT 452 451 CONECT 453 450 454 CONECT 454 453 455 CONECT 455 449 454 CONECT 456 457 451 CONECT 457 458 456 CONECT 458 457 459 460 CONECT 459 458 CONECT 460 461 458 CONECT 461 460 464 462 CONECT 462 461 471 463 CONECT 463 462 CONECT 464 461 465 CONECT 465 464 466 CONECT 466 465 467 CONECT 467 466 468 CONECT 468 467 469 470 CONECT 469 468 CONECT 470 468 CONECT 471 462 472 CONECT 472 471 475 473 CONECT 473 472 474 482 CONECT 474 473 CONECT 475 476 472 CONECT 476 475 477 CONECT 477 478 476 CONECT 478 479 477 CONECT 479 478 480 481 CONECT 480 479 CONECT 481 479 CONECT 482 473 483 CONECT 483 484 482 486 CONECT 484 490 483 485 CONECT 485 484 CONECT 486 483 487 CONECT 487 488 489 486 CONECT 488 487 CONECT 489 487 CONECT 490 484 491 CONECT 491 490 492 494 CONECT 492 491 493 497 CONECT 493 492 CONECT 494 495 496 491 CONECT 495 494 CONECT 496 494 CONECT 497 492 498 CONECT 498 497 501 499 CONECT 499 498 500 504 CONECT 500 499 CONECT 501 498 502 503 CONECT 502 501 CONECT 503 501 CONECT 504 505 499 CONECT 505 506 508 504 CONECT 506 505 512 507 CONECT 507 506 CONECT 508 509 505 CONECT 509 510 508 511 CONECT 510 509 CONECT 511 509 CONECT 512 506 513 CONECT 513 512 516 514 CONECT 514 513 515 518 CONECT 515 514 CONECT 516 513 517 CONECT 517 516 CONECT 518 514 519 CONECT 519 518 522 520 CONECT 520 519 521 529 CONECT 521 520 CONECT 522 523 519 CONECT 523 524 522 CONECT 524 523 525 CONECT 525 526 524 CONECT 526 528 527 525 CONECT 527 526 CONECT 528 526 CONECT 529 520 530 CONECT 530 531 533 529 CONECT 531 538 532 530 CONECT 532 531 CONECT 533 530 534 CONECT 534 533 535 CONECT 535 534 537 536 CONECT 536 535 CONECT 537 535 CONECT 538 539 531 CONECT 539 540 538 542 CONECT 540 541 539 543 CONECT 541 540 CONECT 542 539 CONECT 543 540 544 CONECT 544 545 543 547 CONECT 545 551 544 546 CONECT 546 545 CONECT 547 544 548 CONECT 548 547 549 550 CONECT 549 548 CONECT 550 548 CONECT 551 552 545 CONECT 552 551 553 555 CONECT 553 554 562 552 CONECT 554 553 CONECT 555 552 556 CONECT 556 555 557 558 CONECT 557 556 559 CONECT 558 556 560 CONECT 559 557 561 CONECT 560 558 561 CONECT 561 559 560 CONECT 562 553 563 CONECT 563 562 564 566 CONECT 564 563 570 565 CONECT 565 564 CONECT 566 563 567 CONECT 567 566 568 CONECT 568 567 569 CONECT 569 568 CONECT 570 564 571 CONECT 571 572 574 570 CONECT 572 573 575 571 CONECT 573 572 CONECT 574 571 CONECT 575 572 576 CONECT 576 577 575 579 CONECT 577 581 578 576 CONECT 578 577 CONECT 579 576 580 CONECT 580 579 CONECT 581 582 577 CONECT 582 581 583 CONECT 583 584 582 585 CONECT 584 583 CONECT 585 586 583 CONECT 586 587 589 585 CONECT 587 590 586 588 CONECT 588 587 CONECT 589 586 CONECT 590 587 591 CONECT 591 594 590 592 CONECT 592 591 593 599 CONECT 593 592 CONECT 594 595 591 CONECT 595 594 596 CONECT 596 598 595 597 CONECT 597 596 CONECT 598 596 CONECT 599 592 600 CONECT 600 599 601 603 CONECT 601 606 600 602 CONECT 602 601 CONECT 603 600 604 605 CONECT 604 603 CONECT 605 603 CONECT 606 607 601 CONECT 607 610 606 608 CONECT 608 613 609 607 CONECT 609 608 CONECT 610 607 611 612 CONECT 611 610 CONECT 612 610 CONECT 613 608 614 CONECT 614 613 615 CONECT 615 614 617 616 CONECT 616 615 CONECT 617 615 618 CONECT 618 621 619 617 CONECT 619 620 623 618 CONECT 620 619 CONECT 621 622 618 CONECT 622 621 CONECT 623 619 624 CONECT 624 625 627 623 CONECT 625 626 631 624 CONECT 626 625 CONECT 627 628 624 CONECT 628 627 629 630 CONECT 629 628 CONECT 630 628 CONECT 631 632 625 CONECT 632 635 631 633 CONECT 633 634 640 632 CONECT 634 633 CONECT 635 632 636 CONECT 636 635 637 CONECT 637 636 638 639 CONECT 638 637 CONECT 639 637 CONECT 640 633 641 CONECT 641 640 642 644 CONECT 642 641 643 649 CONECT 643 642 CONECT 644 645 641 CONECT 645 644 646 CONECT 646 645 648 647 CONECT 647 646 CONECT 648 646 CONECT 649 642 650 CONECT 650 651 649 653 CONECT 651 654 652 650 CONECT 652 651 CONECT 653 650 CONECT 654 651 655 CONECT 655 654 656 658 CONECT 656 657 662 655 CONECT 657 656 CONECT 658 655 659 CONECT 659 660 658 661 CONECT 660 659 CONECT 661 659 CONECT 662 663 656 CONECT 663 664 666 662 CONECT 664 665 669 663 CONECT 665 664 CONECT 666 663 667 668 CONECT 667 666 CONECT 668 666 CONECT 669 664 670 CONECT 670 669 671 673 CONECT 671 670 672 675 CONECT 672 671 CONECT 673 670 674 CONECT 674 673 CONECT 675 676 681 671 CONECT 676 679 677 675 CONECT 677 676 678 682 CONECT 678 677 CONECT 679 680 676 CONECT 680 679 681 CONECT 681 680 675 CONECT 682 677 683 CONECT 683 682 686 684 CONECT 684 683 685 691 CONECT 685 684 CONECT 686 683 687 CONECT 687 686 688 CONECT 688 690 687 689 CONECT 689 688 CONECT 690 688 CONECT 691 684 692 CONECT 692 691 693 695 CONECT 693 692 694 698 CONECT 694 693 CONECT 695 696 692 697 CONECT 696 695 CONECT 697 695 CONECT 698 693 699 CONECT 699 698 700 702 CONECT 700 699 712 701 CONECT 701 700 CONECT 702 699 703 CONECT 703 704 705 702 CONECT 704 706 703 CONECT 705 707 708 703 CONECT 706 704 707 CONECT 707 705 706 709 CONECT 708 705 710 CONECT 709 707 711 CONECT 710 708 711 CONECT 711 709 710 CONECT 712 700 713 CONECT 713 716 712 714 CONECT 714 715 713 719 CONECT 715 714 CONECT 716 718 717 713 CONECT 717 716 CONECT 718 716 CONECT 719 714 720 CONECT 720 719 721 723 CONECT 721 720 722 727 CONECT 722 721 CONECT 723 720 725 724 CONECT 724 723 726 CONECT 725 723 CONECT 726 724 CONECT 727 728 721 CONECT 728 727 729 CONECT 729 728 730 731 CONECT 730 729 CONECT 731 729 732 CONECT 732 731 733 CONECT 733 734 732 735 CONECT 734 733 CONECT 735 736 733 CONECT 736 735 737 CONECT 737 736 738 739 CONECT 738 737 CONECT 739 740 737 CONECT 740 741 743 739 CONECT 741 740 742 748 CONECT 742 741 CONECT 743 740 744 CONECT 744 743 745 CONECT 745 744 747 746 CONECT 746 745 CONECT 747 745 CONECT 748 749 741 CONECT 749 750 752 748 CONECT 750 751 755 749 CONECT 751 750 CONECT 752 749 753 754 CONECT 753 752 CONECT 754 752 CONECT 755 750 756 CONECT 756 755 757 759 CONECT 757 758 756 767 CONECT 758 757 CONECT 759 756 760 CONECT 760 762 759 761 CONECT 761 760 763 CONECT 762 764 760 CONECT 763 765 761 CONECT 764 762 765 CONECT 765 764 763 766 CONECT 766 765 CONECT 767 757 768 CONECT 768 769 767 771 CONECT 769 770 772 768 CONECT 770 769 CONECT 771 768 CONECT 772 769 773 CONECT 773 772 774 776 CONECT 774 780 773 775 CONECT 775 774 CONECT 776 773 777 CONECT 777 776 779 778 CONECT 778 777 CONECT 779 777 CONECT 780 781 774 CONECT 781 782 784 780 CONECT 782 781 783 785 CONECT 783 782 CONECT 784 781 CONECT 785 782 786 CONECT 786 787 785 789 CONECT 787 788 793 786 CONECT 788 787 CONECT 789 790 786 CONECT 790 792 791 789 CONECT 791 790 CONECT 792 790 CONECT 793 787 794 799 CONECT 794 795 797 793 CONECT 795 796 800 794 CONECT 796 795 CONECT 797 794 798 CONECT 798 797 799 CONECT 799 793 798 CONECT 800 795 801 CONECT 801 800 802 804 CONECT 802 801 803 812 CONECT 803 802 CONECT 804 801 805 CONECT 805 804 806 807 CONECT 806 805 808 CONECT 807 805 809 CONECT 808 806 810 CONECT 809 807 810 CONECT 810 811 808 809 CONECT 811 810 CONECT 812 802 813 CONECT 813 814 812 816 CONECT 814 817 815 813 CONECT 815 814 CONECT 816 813 CONECT 817 818 814 CONECT 818 817 821 819 CONECT 819 818 820 824 CONECT 820 819 CONECT 821 818 822 823 CONECT 822 821 CONECT 823 821 CONECT 824 819 825 CONECT 825 824 826 828 CONECT 826 825 835 827 CONECT 827 826 CONECT 828 825 829 CONECT 829 828 830 CONECT 830 831 829 CONECT 831 830 832 CONECT 832 831 833 834 CONECT 833 832 CONECT 834 832 CONECT 835 826 836 CONECT 836 835 837 839 CONECT 837 836 838 841 CONECT 838 837 CONECT 839 836 840 CONECT 840 839 CONECT 841 837 842 CONECT 842 841 845 843 CONECT 843 842 844 850 CONECT 844 843 CONECT 845 842 846 CONECT 846 847 845 CONECT 847 846 848 849 CONECT 848 847 CONECT 849 847 CONECT 850 843 851 CONECT 851 850 854 852 CONECT 852 853 851 857 CONECT 853 852 CONECT 854 856 851 855 CONECT 855 854 CONECT 856 854 CONECT 857 852 858 CONECT 858 857 861 859 CONECT 859 858 860 864 CONECT 860 859 CONECT 861 858 862 863 CONECT 862 861 CONECT 863 861 CONECT 864 859 865 CONECT 865 868 864 866 CONECT 866 865 867 873 CONECT 867 866 CONECT 868 865 869 CONECT 869 868 870 CONECT 870 871 872 869 CONECT 871 870 CONECT 872 870 CONECT 873 866 874 CONECT 874 873 875 877 CONECT 875 874 876 880 CONECT 876 875 CONECT 877 874 879 878 CONECT 878 877 CONECT 879 877 CONECT 880 875 881 CONECT 881 880 882 884 CONECT 882 881 888 883 CONECT 883 882 CONECT 884 885 881 CONECT 885 887 884 886 CONECT 886 885 CONECT 887 885 CONECT 888 882 889 CONECT 889 888 892 890 CONECT 890 889 891 896 CONECT 891 890 CONECT 892 889 893 894 CONECT 893 892 895 CONECT 894 892 CONECT 895 893 CONECT 896 890 897 CONECT 897 896 898 CONECT 898 897 900 899 CONECT 899 898 CONECT 900 898 901 CONECT 901 900 902 904 CONECT 902 903 908 901 CONECT 903 902 CONECT 904 901 905 CONECT 905 907 904 906 CONECT 906 905 CONECT 907 905 CONECT 908 902 909 914 CONECT 909 908 910 912 CONECT 910 915 909 911 CONECT 911 910 CONECT 912 909 913 CONECT 913 912 914 CONECT 914 908 913 CONECT 915 916 910 CONECT 916 915 917 919 CONECT 917 916 918 926 CONECT 918 917 CONECT 919 916 920 CONECT 920 921 919 CONECT 921 922 920 CONECT 922 921 923 CONECT 923 922 924 925 CONECT 924 923 CONECT 925 923 CONECT 926 917 927 CONECT 927 926 928 930 CONECT 928 927 929 935 CONECT 929 928 CONECT 930 927 931 CONECT 931 930 932 CONECT 932 931 933 934 CONECT 933 932 CONECT 934 932 CONECT 935 928 936 CONECT 936 935 937 939 CONECT 937 936 940 938 CONECT 938 937 CONECT 939 936 CONECT 940 941 937 CONECT 941 942 940 CONECT 942 944 941 943 CONECT 943 942 CONECT 944 945 942 CONECT 945 944 946 948 CONECT 946 952 945 947 CONECT 947 946 CONECT 948 945 949 CONECT 949 948 950 951 CONECT 950 949 CONECT 951 949 CONECT 952 953 946 CONECT 953 952 954 956 CONECT 954 955 957 953 CONECT 955 954 CONECT 956 953 CONECT 957 958 954 CONECT 958 957 959 961 CONECT 959 965 960 958 CONECT 960 959 CONECT 961 958 962 CONECT 962 961 963 964 CONECT 963 962 CONECT 964 962 CONECT 965 966 959 CONECT 966 967 965 969 CONECT 967 968 970 966 CONECT 968 967 CONECT 969 966 CONECT 970 976 967 971 CONECT 971 972 970 974 CONECT 972 973 977 971 CONECT 973 972 CONECT 974 975 971 CONECT 975 976 974 CONECT 976 975 970 CONECT 977 972 978 CONECT 978 977 979 981 CONECT 979 984 980 978 CONECT 980 979 CONECT 981 978 982 983 CONECT 982 981 CONECT 983 981 CONECT 984 985 979 CONECT 985 984 986 988 CONECT 986 992 985 987 CONECT 987 986 CONECT 988 989 985 CONECT 989 990 988 991 CONECT 990 989 CONECT 991 989 CONECT 992 993 986 CONECT 993 994 992 996 CONECT 994 995 1000 993 CONECT 995 994 CONECT 996 997 993 CONECT 997 998 999 996 CONECT 998 997 CONECT 999 997 CONECT 1000 994 1001 CONECT 1001 1004 1000 1002 CONECT 1002 1003 1001 1009 CONECT 1003 1002 CONECT 1004 1005 1001 CONECT 1005 1006 1004 CONECT 1006 1007 1008 1005 CONECT 1007 1006 CONECT 1008 1006 CONECT 1009 1010 1002 CONECT 1010 1013 1009 1011 CONECT 1011 1012 1016 1010 CONECT 1012 1011 CONECT 1013 1014 1010 1015 CONECT 1014 1013 CONECT 1015 1013 CONECT 1016 1011 1017 CONECT 1017 1016 1018 1020 CONECT 1018 1019 1030 1017 CONECT 1019 1018 CONECT 1020 1017 1021 CONECT 1021 1020 1022 1023 CONECT 1022 1021 1024 CONECT 1023 1026 1021 1025 CONECT 1024 1022 1025 CONECT 1025 1023 1024 1027 CONECT 1026 1028 1023 CONECT 1027 1029 1025 CONECT 1028 1026 1029 CONECT 1029 1028 1027 CONECT 1030 1031 1018 CONECT 1031 1034 1030 1032 CONECT 1032 1033 1031 1041 CONECT 1033 1032 CONECT 1034 1031 1035 CONECT 1035 1036 1034 CONECT 1036 1037 1035 CONECT 1037 1038 1036 CONECT 1038 1037 1039 1040 CONECT 1039 1038 CONECT 1040 1038 CONECT 1041 1032 1042 CONECT 1042 1041 1043 CONECT 1043 1045 1042 1044 CONECT 1044 1043 CONECT 1045 1043 1046 CONECT 1046 1045 1049 1047 CONECT 1047 1046 1054 1048 CONECT 1048 1047 CONECT 1049 1046 1050 CONECT 1050 1051 1049 CONECT 1051 1053 1050 1052 CONECT 1052 1051 CONECT 1053 1051 CONECT 1054 1047 1055 CONECT 1055 1054 1058 1056 CONECT 1056 1055 1057 1061 CONECT 1057 1056 CONECT 1058 1055 1059 1060 CONECT 1059 1058 CONECT 1060 1058 CONECT 1061 1056 1062 CONECT 1062 1061 1063 CONECT 1063 1065 1062 1064 CONECT 1064 1063 CONECT 1065 1066 1063 CONECT 1066 1065 1069 1067 CONECT 1067 1066 1068 1074 CONECT 1068 1067 CONECT 1069 1066 1070 CONECT 1070 1069 1071 CONECT 1071 1070 1072 1073 CONECT 1072 1071 CONECT 1073 1071 CONECT 1074 1067 1075 CONECT 1075 1074 1078 1076 CONECT 1076 1077 1088 1075 CONECT 1077 1076 CONECT 1078 1075 1079 CONECT 1079 1080 1081 1078 CONECT 1080 1079 1082 CONECT 1081 1079 1083 1084 CONECT 1082 1080 1083 CONECT 1083 1081 1082 1085 CONECT 1084 1081 1086 CONECT 1085 1083 1087 CONECT 1086 1084 1087 CONECT 1087 1086 1085 CONECT 1088 1076 1089 CONECT 1089 1088 1090 1092 CONECT 1090 1089 1091 1099 CONECT 1091 1090 CONECT 1092 1093 1089 CONECT 1093 1092 1094 CONECT 1094 1095 1093 CONECT 1095 1094 1096 CONECT 1096 1095 1098 1097 CONECT 1097 1096 CONECT 1098 1096 CONECT 1099 1090 1100 CONECT 1100 1099 1103 1101 CONECT 1101 1100 1110 1102 CONECT 1102 1101 CONECT 1103 1100 1104 CONECT 1104 1103 1105 1106 CONECT 1105 1104 1107 CONECT 1106 1104 1108 CONECT 1107 1105 1109 CONECT 1108 1106 1109 CONECT 1109 1107 1108 CONECT 1110 1111 1101 CONECT 1111 1110 1114 1112 CONECT 1112 1111 1116 1113 CONECT 1113 1112 CONECT 1114 1111 1115 CONECT 1115 1114 CONECT 1116 1112 1117 CONECT 1117 1116 1120 1118 CONECT 1118 1117 1127 1119 CONECT 1119 1118 CONECT 1120 1117 1121 CONECT 1121 1120 1122 CONECT 1122 1123 1121 CONECT 1123 1124 1122 CONECT 1124 1123 1125 1126 CONECT 1125 1124 CONECT 1126 1124 CONECT 1127 1118 1128 CONECT 1128 1127 1129 1131 CONECT 1129 1128 1133 1130 CONECT 1130 1129 CONECT 1131 1132 1128 CONECT 1132 1131 CONECT 1133 1129 1134 CONECT 1134 1135 1133 CONECT 1135 1136 1134 1137 CONECT 1136 1135 CONECT 1137 1138 1135 CONECT 1138 1139 1141 1137 CONECT 1139 1138 1140 1145 CONECT 1140 1139 CONECT 1141 1138 1142 CONECT 1142 1141 1143 1144 CONECT 1143 1142 CONECT 1144 1142 CONECT 1145 1139 1146 CONECT 1146 1149 1145 1147 CONECT 1147 1156 1148 1146 CONECT 1148 1147 CONECT 1149 1150 1146 CONECT 1150 1149 1151 CONECT 1151 1150 1152 CONECT 1152 1153 1151 CONECT 1153 1154 1155 1152 CONECT 1154 1153 CONECT 1155 1153 CONECT 1156 1157 1147 CONECT 1157 1158 1156 1160 CONECT 1158 1159 1157 1168 CONECT 1159 1158 CONECT 1160 1157 1161 CONECT 1161 1160 1162 1163 CONECT 1162 1164 1161 CONECT 1163 1161 1165 CONECT 1164 1166 1162 CONECT 1165 1166 1163 CONECT 1166 1164 1167 1165 CONECT 1167 1166 CONECT 1168 1169 1158 CONECT 1169 1170 1172 1168 CONECT 1170 1169 1171 1179 CONECT 1171 1170 CONECT 1172 1169 1173 CONECT 1173 1174 1172 CONECT 1174 1175 1173 CONECT 1175 1174 1176 CONECT 1176 1175 1177 1178 CONECT 1177 1176 CONECT 1178 1176 CONECT 1179 1170 1180 CONECT 1180 1181 1183 1179 CONECT 1181 1182 1187 1180 CONECT 1182 1181 CONECT 1183 1184 1180 CONECT 1184 1183 1185 1186 CONECT 1185 1184 CONECT 1186 1184 CONECT 1187 1188 1181 CONECT 1188 1187 1189 1191 CONECT 1189 1199 1188 1190 CONECT 1190 1189 CONECT 1191 1188 1192 CONECT 1192 1194 1191 1193 CONECT 1193 1192 1195 CONECT 1194 1196 1192 CONECT 1195 1197 1193 CONECT 1196 1194 1197 CONECT 1197 1196 1198 1195 CONECT 1198 1197 CONECT 1199 1200 1189 CONECT 1200 1203 1199 1201 CONECT 1201 1200 1202 1205 CONECT 1202 1201 CONECT 1203 1204 1200 CONECT 1204 1203 CONECT 1205 1206 1201 CONECT 1206 1207 1209 1205 CONECT 1207 1206 1208 1217 CONECT 1208 1207 CONECT 1209 1206 1210 CONECT 1210 1209 1212 1211 CONECT 1211 1210 1213 CONECT 1212 1210 1214 CONECT 1213 1215 1211 CONECT 1214 1212 1215 CONECT 1215 1214 1216 1213 CONECT 1216 1215 CONECT 1217 1218 1207 CONECT 1218 1221 1219 1217 CONECT 1219 1218 1220 1227 CONECT 1220 1219 CONECT 1221 1222 1218 CONECT 1222 1224 1223 1221 CONECT 1223 1222 1225 CONECT 1224 1222 1226 CONECT 1225 1223 1226 CONECT 1226 1224 1225 CONECT 1227 1219 1228 CONECT 1228 1229 1231 1227 CONECT 1229 1230 1238 1228 CONECT 1230 1229 CONECT 1231 1232 1228 CONECT 1232 1231 1233 CONECT 1233 1232 1234 CONECT 1234 1233 1235 CONECT 1235 1234 1236 1237 CONECT 1236 1235 CONECT 1237 1235 CONECT 1238 1229 1239 CONECT 1239 1242 1240 1238 CONECT 1240 1241 1244 1239 CONECT 1241 1240 CONECT 1242 1243 1239 CONECT 1243 1242 CONECT 1244 1240 MASTER 3 0 0 0 0 0 0 0 1244 1 1244 0 END rr/./ligand-rr-normal.pdbqt0000664000076600007660000000521012303120042015372 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 rr/./ligand-rr-opt.cif0000664000076600007660000003024712303120042014343 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 Feb 25 19:22:34 2014 # # Input file: ligand-rr-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 rr/./outfile-rr-6.pdb0000664000076600007660000000460612303120275014133 0ustar galaxygalaxyMODEL 7 REMARK VINA RESULT: -6.0 4.061 6.218 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 -1.187 2.383 4.834 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 0.331 2.572 4.977 1.00 20.00 HETATM 3 C1 TOP A 201 1.198 2.047 4.016 1.00 20.00 HETATM 4 N2 TOP A 201 2.547 2.029 4.032 1.00 20.00 HETATM 5 C3 TOP A 201 3.160 2.668 5.101 1.00 20.00 HETATM 6 N5 TOP A 201 2.433 3.364 6.078 1.00 20.00 HETATM 7 C6 TOP A 201 1.035 3.290 6.016 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 4.541 2.634 5.200 1.00 20.00 HETATM 9 H41 TOP A 201 5.068 2.061 5.816 1.00 20.00 HETATM 10 H42 TOP A 201 5.137 3.211 4.604 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 0.412 3.964 7.040 1.00 20.00 HETATM 12 H71 TOP A 201 0.691 3.986 8.004 1.00 20.00 HETATM 13 H72 TOP A 201 -0.420 4.519 6.886 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 -2.024 3.500 4.124 1.00 20.00 HETATM 15 C11 TOP A 201 -2.920 4.337 4.824 1.00 20.00 HETATM 16 C12 TOP A 201 -3.786 5.255 4.185 1.00 20.00 HETATM 17 C15 TOP A 201 -3.628 5.498 2.787 1.00 20.00 HETATM 18 C18 TOP A 201 -2.633 4.757 2.079 1.00 20.00 HETATM 19 C21 TOP A 201 -1.874 3.773 2.753 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 -4.617 6.067 4.949 1.00 20.00 HETATM 21 C14 TOP A 201 -5.976 5.689 5.154 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 -4.275 6.545 2.174 1.00 20.00 HETATM 23 C17 TOP A 201 -3.838 7.865 2.469 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 -2.346 5.064 0.759 1.00 20.00 HETATM 25 C20 TOP A 201 -1.094 4.629 0.240 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL rr/./complex-rr-0.pdb0000664000076600007660000024746612303120275014142 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 1 REMARK VINA RESULT: -6.7 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 -2.140 2.930 3.491 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -1.937 3.468 2.065 1.00 20.00 HETATM 3 C1 TOP A 201 -2.401 4.740 1.721 1.00 20.00 HETATM 4 N2 TOP A 201 -2.401 5.326 0.506 1.00 20.00 HETATM 5 C3 TOP A 201 -1.810 4.609 -0.525 1.00 20.00 HETATM 6 N5 TOP A 201 -1.176 3.375 -0.316 1.00 20.00 HETATM 7 C6 TOP A 201 -1.265 2.813 0.965 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 -1.830 5.136 -1.805 1.00 20.00 HETATM 9 H41 TOP A 201 -2.593 5.606 -2.231 1.00 20.00 HETATM 10 H42 TOP A 201 -1.014 5.091 -2.418 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 -0.653 1.586 1.061 1.00 20.00 HETATM 12 H71 TOP A 201 -1.072 0.726 1.368 1.00 20.00 HETATM 13 H72 TOP A 201 0.319 1.453 0.814 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 -0.970 3.067 4.522 1.00 20.00 HETATM 15 C11 TOP A 201 -0.974 4.033 5.551 1.00 20.00 HETATM 16 C12 TOP A 201 0.131 4.266 6.403 1.00 20.00 HETATM 17 C15 TOP A 201 1.239 3.367 6.361 1.00 20.00 HETATM 18 C18 TOP A 201 1.208 2.297 5.416 1.00 20.00 HETATM 19 C21 TOP A 201 0.124 2.183 4.515 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 0.035 5.215 7.415 1.00 20.00 HETATM 21 C14 TOP A 201 -0.711 6.409 7.193 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 2.219 3.407 7.325 1.00 20.00 HETATM 23 C17 TOP A 201 3.435 4.076 7.014 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 2.189 1.319 5.440 1.00 20.00 HETATM 25 C20 TOP A 201 2.777 0.947 4.199 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL rr/./outfile-rr-1.pdb0000664000076600007660000000460612303120275014126 0ustar galaxygalaxyMODEL 2 REMARK VINA RESULT: -6.5 2.300 3.155 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 -1.221 3.264 5.563 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -1.844 4.115 4.444 1.00 20.00 HETATM 3 C1 TOP A 201 -2.017 5.490 4.620 1.00 20.00 HETATM 4 N2 TOP A 201 -2.631 6.364 3.798 1.00 20.00 HETATM 5 C3 TOP A 201 -3.096 5.855 2.592 1.00 20.00 HETATM 6 N5 TOP A 201 -2.878 4.525 2.204 1.00 20.00 HETATM 7 C6 TOP A 201 -2.277 3.671 3.138 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 -3.784 6.694 1.731 1.00 20.00 HETATM 9 H41 TOP A 201 -3.420 7.507 1.294 1.00 20.00 HETATM 10 H42 TOP A 201 -4.751 6.511 1.461 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 -2.147 2.380 2.685 1.00 20.00 HETATM 12 H71 TOP A 201 -1.847 1.582 3.216 1.00 20.00 HETATM 13 H72 TOP A 201 -2.357 2.126 1.728 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 0.339 3.155 5.648 1.00 20.00 HETATM 15 C11 TOP A 201 1.020 2.950 6.866 1.00 20.00 HETATM 16 C12 TOP A 201 2.429 2.988 6.986 1.00 20.00 HETATM 17 C15 TOP A 201 3.222 3.047 5.801 1.00 20.00 HETATM 18 C18 TOP A 201 2.554 3.121 4.541 1.00 20.00 HETATM 19 C21 TOP A 201 1.143 3.191 4.495 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 3.025 2.743 8.219 1.00 20.00 HETATM 21 C14 TOP A 201 3.015 1.424 8.757 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 4.582 2.845 5.850 1.00 20.00 HETATM 23 C17 TOP A 201 5.061 1.507 5.809 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 3.279 3.032 3.364 1.00 20.00 HETATM 25 C20 TOP A 201 2.760 3.703 2.220 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL rr/./outfile-rr-3.pdb0000664000076600007660000000460612303120275014130 0ustar galaxygalaxyMODEL 4 REMARK VINA RESULT: -6.3 3.378 5.228 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 -2.345 3.098 3.151 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -0.873 3.256 2.738 1.00 20.00 HETATM 3 C1 TOP A 201 -0.528 4.092 1.673 1.00 20.00 HETATM 4 N2 TOP A 201 0.686 4.270 1.113 1.00 20.00 HETATM 5 C3 TOP A 201 1.743 3.593 1.704 1.00 20.00 HETATM 6 N5 TOP A 201 1.587 2.822 2.866 1.00 20.00 HETATM 7 C6 TOP A 201 0.285 2.647 3.353 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 3.004 3.694 1.140 1.00 20.00 HETATM 9 H41 TOP A 201 3.652 2.951 1.023 1.00 20.00 HETATM 10 H42 TOP A 201 3.359 4.578 0.772 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 0.227 1.841 4.466 1.00 20.00 HETATM 12 H71 TOP A 201 0.775 1.018 4.642 1.00 20.00 HETATM 13 H72 TOP A 201 -0.408 2.030 5.230 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 -2.971 4.149 4.129 1.00 20.00 HETATM 15 C11 TOP A 201 -4.359 4.395 4.190 1.00 20.00 HETATM 16 C12 TOP A 201 -4.931 5.435 4.961 1.00 20.00 HETATM 17 C15 TOP A 201 -4.103 6.156 5.873 1.00 20.00 HETATM 18 C18 TOP A 201 -2.713 5.833 5.926 1.00 20.00 HETATM 19 C21 TOP A 201 -2.181 4.859 5.049 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 -6.312 5.592 4.993 1.00 20.00 HETATM 21 C14 TOP A 201 -6.943 6.473 4.067 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 -4.651 7.002 6.809 1.00 20.00 HETATM 23 C17 TOP A 201 -4.740 8.384 6.488 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 -1.904 6.403 6.896 1.00 20.00 HETATM 25 C20 TOP A 201 -1.547 5.595 8.012 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL rr/./REC-rr-normal.pdb0000664000076600007660000024266012303120275014224 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 rr/./ligand-rr-opt.pdb0000664000076600007660000001124712303120042014346 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 Feb 25 19:22:34 2014 REMARK 99 REMARK 99 Input file: ligand-rr-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 rr/./outfile-rr-5.pdb0000664000076600007660000000460612303120275014132 0ustar galaxygalaxyMODEL 6 REMARK VINA RESULT: -6.0 6.528 8.959 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 4.222 0.430 9.255 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 4.038 1.177 7.924 1.00 20.00 HETATM 3 C1 TOP A 201 4.106 0.482 6.714 1.00 20.00 HETATM 4 N2 TOP A 201 4.070 0.984 5.463 1.00 20.00 HETATM 5 C3 TOP A 201 3.877 2.354 5.352 1.00 20.00 HETATM 6 N5 TOP A 201 3.654 3.174 6.468 1.00 20.00 HETATM 7 C6 TOP A 201 3.757 2.582 7.735 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 3.887 2.933 4.095 1.00 20.00 HETATM 9 H41 TOP A 201 4.401 2.613 3.308 1.00 20.00 HETATM 10 H42 TOP A 201 3.323 3.757 3.877 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 3.567 3.472 8.765 1.00 20.00 HETATM 12 H71 TOP A 201 4.278 3.903 9.328 1.00 20.00 HETATM 13 H72 TOP A 201 2.643 3.775 9.046 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 5.575 0.587 10.028 1.00 20.00 HETATM 15 C11 TOP A 201 5.637 0.726 11.430 1.00 20.00 HETATM 16 C12 TOP A 201 6.832 1.008 12.132 1.00 20.00 HETATM 17 C15 TOP A 201 8.074 0.966 11.429 1.00 20.00 HETATM 18 C18 TOP A 201 8.050 0.694 10.027 1.00 20.00 HETATM 19 C21 TOP A 201 6.812 0.530 9.362 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 6.814 1.099 13.520 1.00 20.00 HETATM 21 C14 TOP A 201 5.703 0.580 14.246 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 9.271 0.995 12.105 1.00 20.00 HETATM 23 C17 TOP A 201 9.900 2.255 12.297 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 9.235 0.499 9.336 1.00 20.00 HETATM 25 C20 TOP A 201 9.678 -0.842 9.156 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL rr/./outfile-rr-2.pdb0000664000076600007660000000460612303120275014127 0ustar galaxygalaxyMODEL 3 REMARK VINA RESULT: -6.3 5.808 8.085 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 3.653 0.975 8.554 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 3.424 1.660 7.197 1.00 20.00 HETATM 3 C1 TOP A 201 4.397 1.581 6.197 1.00 20.00 HETATM 4 N2 TOP A 201 4.411 2.198 4.998 1.00 20.00 HETATM 5 C3 TOP A 201 3.292 2.957 4.682 1.00 20.00 HETATM 6 N5 TOP A 201 2.169 3.026 5.519 1.00 20.00 HETATM 7 C6 TOP A 201 2.257 2.397 6.769 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 3.273 3.658 3.488 1.00 20.00 HETATM 9 H41 TOP A 201 3.762 4.500 3.297 1.00 20.00 HETATM 10 H42 TOP A 201 2.745 3.328 2.678 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 1.127 2.558 7.535 1.00 20.00 HETATM 12 H71 TOP A 201 0.187 2.687 7.204 1.00 20.00 HETATM 13 H72 TOP A 201 1.163 2.557 8.546 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 5.083 0.434 8.894 1.00 20.00 HETATM 15 C11 TOP A 201 6.069 1.234 9.510 1.00 20.00 HETATM 16 C12 TOP A 201 7.406 0.811 9.699 1.00 20.00 HETATM 17 C15 TOP A 201 7.745 -0.550 9.434 1.00 20.00 HETATM 18 C18 TOP A 201 6.727 -1.417 8.935 1.00 20.00 HETATM 19 C21 TOP A 201 5.437 -0.906 8.662 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 8.311 1.647 10.343 1.00 20.00 HETATM 21 C14 TOP A 201 9.274 2.368 9.578 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 8.959 -1.065 9.826 1.00 20.00 HETATM 23 C17 TOP A 201 9.958 -1.251 8.831 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 6.972 -2.775 8.804 1.00 20.00 HETATM 25 C20 TOP A 201 5.847 -3.637 8.681 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL rr/./complex-rr-4.pdb0000664000076600007660000024746612303120275014146 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: -6.0 3.541 4.792 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 -1.137 3.487 5.743 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -1.649 4.932 5.851 1.00 20.00 HETATM 3 C1 TOP A 201 -2.166 5.580 4.727 1.00 20.00 HETATM 4 N2 TOP A 201 -2.561 6.865 4.614 1.00 20.00 HETATM 5 C3 TOP A 201 -2.512 7.629 5.772 1.00 20.00 HETATM 6 N5 TOP A 201 -2.148 7.089 7.014 1.00 20.00 HETATM 7 C6 TOP A 201 -1.703 5.760 7.035 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 -2.853 8.969 5.705 1.00 20.00 HETATM 9 H41 TOP A 201 -3.473 9.445 6.318 1.00 20.00 HETATM 10 H42 TOP A 201 -2.455 9.592 5.000 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 -1.326 5.336 8.287 1.00 20.00 HETATM 12 H71 TOP A 201 -1.932 5.134 9.062 1.00 20.00 HETATM 13 H72 TOP A 201 -0.356 5.187 8.530 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 0.408 3.232 5.738 1.00 20.00 HETATM 15 C11 TOP A 201 1.146 3.019 6.922 1.00 20.00 HETATM 16 C12 TOP A 201 2.557 2.927 6.952 1.00 20.00 HETATM 17 C15 TOP A 201 3.273 2.854 5.719 1.00 20.00 HETATM 18 C18 TOP A 201 2.533 2.933 4.501 1.00 20.00 HETATM 19 C21 TOP A 201 1.133 3.136 4.537 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 3.208 2.684 8.157 1.00 20.00 HETATM 21 C14 TOP A 201 3.057 1.420 8.798 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 4.608 2.524 5.695 1.00 20.00 HETATM 23 C17 TOP A 201 4.958 1.148 5.766 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 3.166 2.719 3.287 1.00 20.00 HETATM 25 C20 TOP A 201 3.080 3.751 2.310 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL rr/./ligand-rr-opt.elbow_opt.xyz0000664000076600007660000003540712303120041016427 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 -2.838981 0.812792 H -1.784043 -4.830025 -0.738158 H -2.210889 -5.106740 -2.340126 H -2.726324 -6.200117 -1.177326 H -2.781950 -2.877582 -4.419603 H -3.798316 -4.202046 -4.665227 H -4.084128 -2.789056 -5.526724 H -3.821629 1.344267 -5.077155 H -2.682419 0.190376 -4.538737 H -2.886461 1.583572 -3.675121 H -3.222148 1.088236 -1.077448 39 -177.450925 C 0.075314 0.012820 0.154187 N 1.419965 0.014205 0.004070 C 2.178667 0.007752 1.196199 N 3.568688 0.001233 1.200716 N 1.509327 0.009111 2.456397 C 0.098415 0.019121 2.540615 N -0.438367 0.070413 3.838078 C -0.715255 0.003144 1.303166 C -2.281419 -0.077542 1.249680 C -2.935982 -0.787057 0.018662 C -3.079729 -2.204816 -0.078469 C -3.588299 -2.917466 -1.224846 O -3.749970 -4.330430 -1.234480 C -2.624375 -5.157578 -1.360235 C -4.003669 -2.084987 -2.387915 O -4.618159 -2.695439 -3.486536 C -3.821069 -3.144444 -4.553310 C -3.870616 -0.611940 -2.327746 O -4.356461 0.191118 -3.380458 C -3.464267 0.852481 -4.223698 C -3.337611 -0.039655 -1.116851 H -0.467751 0.016812 -0.869091 H 4.242259 0.151715 1.940891 H 4.160875 -0.122887 0.361180 H -0.017855 0.048643 4.767321 H -1.462791 0.108052 4.040465 H -2.667585 -0.570113 2.177350 H -2.776055 0.895864 1.469172 H -2.763435 -2.852562 0.804700 H -1.773098 -4.887713 -0.748329 H -2.206017 -5.157027 -2.371071 H -2.735649 -6.244518 -1.211971 H -2.773392 -2.903624 -4.462670 H -3.809179 -4.233198 -4.706473 H -4.098023 -2.823937 -5.566554 H -3.841541 1.356808 -5.119820 H -2.672815 0.209034 -4.591844 H -2.888533 1.628188 -3.722053 H -3.247423 1.095377 -1.084967 39 -203.882357 C 0.016871 0.004332 0.126186 N 1.415654 0.009166 0.042197 C 2.095325 0.009273 1.248822 N 3.539829 -0.003342 1.103987 N 1.505615 0.013660 2.486323 C 0.124220 0.023019 2.527771 N -0.500889 0.066929 3.817678 C -0.723779 -0.014750 1.358118 C -2.248145 -0.121947 1.229712 C -2.905273 -0.812323 -0.042905 C -3.070368 -2.239837 -0.085919 C -3.552587 -2.863898 -1.271400 O -3.763558 -4.260838 -1.211561 C -2.580866 -5.125027 -1.368976 C -3.950121 -2.084775 -2.388248 O -4.604257 -2.669814 -3.470100 C -3.772532 -3.155722 -4.561400 C -3.825808 -0.672712 -2.322114 O -4.364050 0.161171 -3.328351 C -3.371900 0.852612 -4.172472 C -3.334622 -0.023697 -1.152902 H -0.463484 0.008351 -0.809184 H 4.125673 0.149979 1.921006 H 4.043933 -0.122171 0.294249 H 0.036121 0.047734 4.694911 H -1.440776 0.102751 3.989770 H -2.657322 -0.594721 2.153428 H -2.754345 0.890131 1.420698 H -2.760250 -2.810783 0.783358 H -1.774102 -4.863371 -0.693671 H -2.215611 -5.149161 -2.382660 H -2.798905 -6.213407 -1.159151 H -2.732409 -2.885576 -4.458999 H -3.822375 -4.247646 -4.688072 H -4.115598 -2.792361 -5.557679 H -3.881127 1.342243 -5.058903 H -2.652039 0.177874 -4.587034 H -2.873391 1.657095 -3.660630 H -3.225634 1.056518 -1.072421 39 -205.998891 C 0.132523 0.079096 0.182188 N 1.530602 0.098138 0.156444 C 2.159230 0.127668 1.390525 N 3.599368 0.012921 1.314404 N 1.513083 0.135017 2.601365 C 0.131910 0.082379 2.581544 N -0.542435 0.093097 3.841079 C -0.662363 0.040418 1.375875 C -2.172925 -0.120904 1.182065 C -2.752534 -0.823192 -0.120595 C -2.912279 -2.249307 -0.161256 C -3.496269 -2.872217 -1.299719 O -3.730197 -4.260741 -1.214055 C -2.586674 -5.152379 -1.453242 C -3.962299 -2.091606 -2.388789 O -4.707139 -2.668250 -3.411466 C -3.976024 -3.177067 -4.558142 C -3.805584 -0.682117 -2.342299 O -4.401827 0.154887 -3.309416 C -3.470211 0.821857 -4.233062 C -3.212528 -0.038863 -1.219250 H -0.302050 -0.025428 -0.774187 H 4.162777 0.135159 2.152059 H 4.132947 -0.152704 0.527198 H -0.048010 0.084600 4.742568 H -1.492879 0.095365 3.975584 H -2.604556 -0.615553 2.086193 H -2.725297 0.870029 1.362104 H -2.579843 -2.817931 0.703839 H -1.721929 -4.907852 -0.844591 H -2.298386 -5.193569 -2.493484 H -2.809748 -6.236377 -1.220541 H -2.924061 -2.930039 -4.541716 H -4.057366 -4.270232 -4.674975 H -4.387174 -2.814334 -5.530081 H -4.035157 1.317196 -5.082291 H -2.794591 0.131960 -4.699917 H -2.915036 1.621927 -3.769679 H -3.107952 1.043911 -1.138823 39 -206.082232 C 0.108896 0.066449 0.170552 N 1.506365 0.082306 0.130382 C 2.148287 0.118216 1.357639 N 3.587511 0.000720 1.269268 N 1.513556 0.130037 2.575110 C 0.131712 0.076109 2.569974 N -0.529295 0.093355 3.836985 C -0.674645 0.030220 1.371618 C -2.189234 -0.121510 1.193314 C -2.784021 -0.824035 -0.102296 C -2.947674 -2.249873 -0.143212 C -3.502395 -2.874642 -1.295508 O -3.736968 -4.264217 -1.217529 C -2.588299 -5.154224 -1.436438 C -3.956448 -2.093751 -2.390429 O -4.679680 -2.673444 -3.427653 C -3.925208 -3.170616 -4.564523 C -3.815638 -0.682099 -2.335206 O -4.399088 0.154195 -3.310994 C -3.455314 0.829937 -4.214991 C -3.241554 -0.039098 -1.201812 H -0.337145 0.004399 -0.784897 H 4.159631 0.125612 2.100074 H 4.112842 -0.169509 0.476865 H -0.026258 0.089090 4.733289 H -1.479183 0.096528 3.980438 H -2.614877 -0.611400 2.101807 H -2.732441 0.873165 1.374322 H -2.654144 -2.816224 0.737603 H -1.735461 -4.909510 -0.811480 H -2.280145 -5.192568 -2.470732 H -2.814382 -6.238198 -1.210081 H -2.876162 -2.913813 -4.529625 H -3.994066 -4.263494 -4.686515 H -4.323542 -2.807510 -5.540971 H -4.006679 1.324607 -5.072636 H -2.766630 0.145942 -4.670917 H -2.913385 1.631084 -3.738603 H -3.121722 1.042725 -1.128729 39 -204.725407 C 0.036072 0.028119 0.132430 N 1.431040 0.034492 0.051069 C 2.112417 0.088664 1.256787 N 3.548284 -0.036773 1.132087 N 1.512277 0.112992 2.493237 C 0.129468 0.055133 2.531618 N -0.491415 0.091067 3.819884 C -0.712382 -0.001659 1.355575 C -2.237915 -0.124046 1.224228 C -2.877826 -0.826190 -0.049724 C -3.053797 -2.250954 -0.091862 C -3.517781 -2.880925 -1.281520 O -3.754092 -4.273510 -1.226954 C -2.592718 -5.159405 -1.383901 C -3.935449 -2.099106 -2.393174 O -4.591905 -2.687387 -3.471811 C -3.768624 -3.148750 -4.576388 C -3.844249 -0.681918 -2.314213 O -4.388686 0.152195 -3.314977 C -3.411395 0.854495 -4.158820 C -3.328237 -0.039250 -1.151669 H -0.437645 0.095937 -0.811298 H 4.145981 0.095463 1.941800 H 4.048585 -0.220262 0.324542 H 0.036735 0.098834 4.700186 H -1.439324 0.096788 3.989705 H -2.645019 -0.600302 2.145083 H -2.753358 0.881322 1.407781 H -2.884740 -2.808374 0.827408 H -1.777588 -4.914740 -0.711023 H -2.225250 -5.189267 -2.397820 H -2.827732 -6.243043 -1.176982 H -2.730884 -2.862660 -4.486175 H -3.799039 -4.239966 -4.711894 H -4.128249 -2.784394 -5.565205 H -3.921275 1.347233 -5.040261 H -2.684636 0.188719 -4.580052 H -2.911076 1.658513 -3.645118 H -3.161455 1.037876 -1.099119 39 -213.498762 C 0.087149 0.028100 0.159183 N 1.431846 0.044677 0.047779 C 2.158891 0.083117 1.234879 N 3.548086 0.000693 1.208848 N 1.511207 0.132771 2.486599 C 0.107561 0.068570 2.533824 N -0.425516 0.105256 3.811100 C -0.693755 -0.011315 1.316406 C -2.237120 -0.124847 1.236766 C -2.863314 -0.834360 -0.036264 C -3.063129 -2.234606 -0.099836 C -3.503450 -2.901540 -1.272795 O -3.745586 -4.277090 -1.252775 C -2.650144 -5.184591 -1.395517 C -3.925886 -2.105413 -2.398030 O -4.564519 -2.693006 -3.476100 C -3.769405 -3.136747 -4.574086 C -3.852208 -0.670110 -2.308385 O -4.374366 0.136243 -3.314453 C -3.467251 0.843114 -4.155758 C -3.322512 -0.074543 -1.133151 H -0.420076 0.140895 -0.826621 H 4.178336 0.122931 1.969028 H 4.082414 -0.195994 0.354965 H 0.044962 0.124038 4.699828 H -1.429429 0.107384 3.988241 H -2.627144 -0.612395 2.151770 H -2.730414 0.872984 1.403935 H -3.028867 -2.811596 0.851122 H -1.803646 -4.980156 -0.724165 H -2.243632 -5.229045 -2.413906 H -2.887689 -6.264293 -1.203740 H -2.715721 -2.851697 -4.502198 H -3.778919 -4.232940 -4.721981 H -4.122207 -2.774394 -5.563821 H -3.943055 1.338801 -5.036570 H -2.691825 0.202616 -4.588275 H -2.932943 1.665379 -3.655147 H -3.169606 1.028070 -1.107240 39 -213.966276 C 0.086580 0.028391 0.158955 N 1.432288 0.044754 0.047670 C 2.157992 0.082691 1.235879 N 3.547914 0.000606 1.207928 N 1.510921 0.132736 2.486554 C 0.108084 0.068609 2.533120 N -0.426484 0.105212 3.810851 C -0.694156 -0.011528 1.316930 C -2.236772 -0.125192 1.236127 C -2.863052 -0.834267 -0.036200 C -3.063398 -2.234553 -0.099757 C -3.503479 -2.900995 -1.273119 O -3.745418 -4.276740 -1.252847 C -2.649916 -5.184017 -1.395497 C -3.925483 -2.105262 -2.397886 O -4.564272 -2.692904 -3.476003 C -3.769097 -3.136555 -4.573770 C -3.851638 -0.670699 -2.308172 O -4.374301 0.135904 -3.314364 C -3.466863 0.842848 -4.155333 C -3.321902 -0.074651 -1.133382 H -0.419904 0.140626 -0.826355 H 4.177803 0.123023 1.969599 H 4.081509 -0.195779 0.355253 H 0.045639 0.124055 4.699263 H -1.428975 0.107363 3.987634 H -2.627021 -0.612813 2.151648 H -2.730034 0.872822 1.403463 H -3.028481 -2.811460 0.850584 H -1.803673 -4.979960 -0.724072 H -2.243694 -5.228767 -2.414099 H -2.888306 -6.263545 -1.203608 H -2.715545 -2.851609 -4.502173 H -3.779114 -4.232884 -4.721519 H -4.122452 -2.774125 -5.563323 H -3.943471 1.338328 -5.035990 H -2.691750 0.202390 -4.588302 H -2.933015 1.665354 -3.654880 H -3.169843 1.027567 -1.107273 39 -222.471480 C 0.062903 0.043794 0.169940 N 1.436323 0.048559 0.057207 C 2.117643 0.061202 1.280099 N 3.522037 -0.001267 1.139833 N 1.508402 0.131430 2.508034 C 0.131324 0.069708 2.524110 N -0.468536 0.099758 3.801606 C -0.707923 -0.022044 1.352083 C -2.222839 -0.142564 1.210334 C -2.853552 -0.832187 -0.037319 C -3.079882 -2.232611 -0.098140 C -3.504615 -2.882109 -1.287524 O -3.735517 -4.263876 -1.250924 C -2.635102 -5.161094 -1.383683 C -3.907946 -2.101804 -2.403961 O -4.551113 -2.690904 -3.482780 C -3.749265 -3.132134 -4.569624 C -3.823528 -0.689210 -2.307906 O -4.364194 0.128213 -3.312642 C -3.437949 0.838754 -4.132104 C -3.291040 -0.077300 -1.147804 H -0.413138 0.131003 -0.800172 H 4.122026 0.128597 1.961495 H 4.021667 -0.187402 0.322102 H 0.091399 0.121096 4.656844 H -1.424206 0.102566 3.963269 H -2.623334 -0.630586 2.144053 H -2.712243 0.863077 1.384490 H -3.014301 -2.805407 0.829837 H -1.801282 -4.973453 -0.704550 H -2.244463 -5.224501 -2.411205 H -2.921560 -6.228034 -1.181876 H -2.699687 -2.852072 -4.511251 H -3.787851 -4.233401 -4.706746 H -4.131356 -2.765074 -5.548138 H -3.956044 1.324031 -5.000681 H -2.680234 0.198539 -4.590080 H -2.927127 1.673018 -3.635636 H -3.176676 1.010662 -1.107048 39 -222.957477 C 0.052314 0.047825 0.170776 N 1.423527 0.055185 0.052438 C 2.110560 0.066283 1.272272 N 3.512976 0.007370 1.130869 N 1.503790 0.134563 2.502999 C 0.126072 0.070650 2.523868 N -0.466188 0.097869 3.802997 C -0.715476 -0.021243 1.353113 C -2.231207 -0.143795 1.218023 C -2.864659 -0.832733 -0.028554 C -3.078330 -2.234540 -0.099069 C -3.507649 -2.884289 -1.285214 O -3.732971 -4.266309 -1.250309 C -2.631967 -5.159654 -1.390020 C -3.918010 -2.102383 -2.398072 O -4.561673 -2.689466 -3.477123 C -3.761941 -3.128966 -4.565033 C -3.827813 -0.689282 -2.303417 O -4.351521 0.129951 -3.314508 C -3.414148 0.830612 -4.127229 C -3.295255 -0.079051 -1.142246 H -0.428343 0.135885 -0.799118 H 4.116835 0.136460 1.948816 H 4.011281 -0.177238 0.309363 H 0.094464 0.119026 4.656856 H -1.423352 0.098927 3.968254 H -2.627253 -0.634244 2.152175 H -2.720998 0.860562 1.394886 H -3.007981 -2.811781 0.826809 H -1.794094 -4.971041 -0.715305 H -2.245578 -5.220721 -2.419994 H -2.913159 -6.227917 -1.188549 H -2.711611 -2.849562 -4.507789 H -3.800536 -4.230243 -4.704189 H -4.144457 -2.760361 -5.542786 H -3.919186 1.318857 -5.001252 H -2.656661 0.183495 -4.577758 H -2.899053 1.661973 -3.628426 H -3.133529 1.004300 -1.125016 39 -228.454283 C 0.072161 0.049383 0.164327 N 1.416355 0.058470 0.059343 C 2.128373 0.065792 1.251883 N 3.511253 0.020194 1.206584 N 1.499439 0.136427 2.502651 C 0.098754 0.071421 2.525248 N -0.423457 0.102261 3.796581 C -0.702185 -0.021271 1.325077 C -2.230788 -0.146723 1.228182 C -2.852806 -0.836453 -0.032691 C -3.076721 -2.227523 -0.103096 C -3.504950 -2.887595 -1.279434 O -3.734393 -4.258504 -1.258163 C -2.638694 -5.158641 -1.403629 C -3.916510 -2.105562 -2.401191 O -4.561770 -2.685582 -3.469079 C -3.771390 -3.130101 -4.564094 C -3.824577 -0.684415 -2.306100 O -4.348290 0.115444 -3.309867 C -3.428095 0.823483 -4.132400 C -3.283750 -0.088564 -1.142509 H -0.426165 0.133410 -0.813574 H 4.125514 0.139248 1.977481 H 4.016019 -0.169031 0.338597 H 0.090067 0.125269 4.658369 H -1.421403 0.102966 3.963731 H -2.617294 -0.640665 2.146077 H -2.707591 0.858477 1.383583 H -2.997634 -2.819777 0.820756 H -1.797102 -4.974151 -0.724014 H -2.252915 -5.217264 -2.432249 H -2.930287 -6.218879 -1.197497 H -2.716875 -2.848072 -4.509056 H -3.812725 -4.228392 -4.695679 H -4.159489 -2.753990 -5.532736 H -3.937999 1.305738 -4.998658 H -2.665598 0.177395 -4.584713 H -2.909571 1.658555 -3.634008 H -3.139689 1.002195 -1.130498 39 -228.454655 C 0.072150 0.049388 0.164326 N 1.416346 0.058477 0.059337 C 2.128363 0.065796 1.251881 N 3.511247 0.020200 1.206570 N 1.499435 0.136427 2.502647 C 0.098751 0.071424 2.525247 N -0.423457 0.102257 3.796583 C -0.702193 -0.021275 1.325085 C -2.230788 -0.146719 1.228177 C -2.852818 -0.836459 -0.032679 C -3.076720 -2.227525 -0.103097 C -3.504952 -2.887596 -1.279433 O -3.734392 -4.258506 -1.258161 C -2.638690 -5.158639 -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 rr/./rr-models.pdb0000664000076600007660000005266612303120275013615 0ustar galaxygalaxyMODEL 1 REMARK VINA RESULT: -6.7 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 -2.140 2.930 3.491 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -1.937 3.468 2.065 1.00 20.00 HETATM 3 C1 TOP A 201 -2.401 4.740 1.721 1.00 20.00 HETATM 4 N2 TOP A 201 -2.401 5.326 0.506 1.00 20.00 HETATM 5 C3 TOP A 201 -1.810 4.609 -0.525 1.00 20.00 HETATM 6 N5 TOP A 201 -1.176 3.375 -0.316 1.00 20.00 HETATM 7 C6 TOP A 201 -1.265 2.813 0.965 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 -1.830 5.136 -1.805 1.00 20.00 HETATM 9 H41 TOP A 201 -2.593 5.606 -2.231 1.00 20.00 HETATM 10 H42 TOP A 201 -1.014 5.091 -2.418 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 -0.653 1.586 1.061 1.00 20.00 HETATM 12 H71 TOP A 201 -1.072 0.726 1.368 1.00 20.00 HETATM 13 H72 TOP A 201 0.319 1.453 0.814 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 -0.970 3.067 4.522 1.00 20.00 HETATM 15 C11 TOP A 201 -0.974 4.033 5.551 1.00 20.00 HETATM 16 C12 TOP A 201 0.131 4.266 6.403 1.00 20.00 HETATM 17 C15 TOP A 201 1.239 3.367 6.361 1.00 20.00 HETATM 18 C18 TOP A 201 1.208 2.297 5.416 1.00 20.00 HETATM 19 C21 TOP A 201 0.124 2.183 4.515 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 0.035 5.215 7.415 1.00 20.00 HETATM 21 C14 TOP A 201 -0.711 6.409 7.193 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 2.219 3.407 7.325 1.00 20.00 HETATM 23 C17 TOP A 201 3.435 4.076 7.014 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 2.189 1.319 5.440 1.00 20.00 HETATM 25 C20 TOP A 201 2.777 0.947 4.199 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL MODEL 2 REMARK VINA RESULT: -6.5 2.300 3.155 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 -1.221 3.264 5.563 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -1.844 4.115 4.444 1.00 20.00 HETATM 3 C1 TOP A 201 -2.017 5.490 4.620 1.00 20.00 HETATM 4 N2 TOP A 201 -2.631 6.364 3.798 1.00 20.00 HETATM 5 C3 TOP A 201 -3.096 5.855 2.592 1.00 20.00 HETATM 6 N5 TOP A 201 -2.878 4.525 2.204 1.00 20.00 HETATM 7 C6 TOP A 201 -2.277 3.671 3.138 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 -3.784 6.694 1.731 1.00 20.00 HETATM 9 H41 TOP A 201 -3.420 7.507 1.294 1.00 20.00 HETATM 10 H42 TOP A 201 -4.751 6.511 1.461 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 -2.147 2.380 2.685 1.00 20.00 HETATM 12 H71 TOP A 201 -1.847 1.582 3.216 1.00 20.00 HETATM 13 H72 TOP A 201 -2.357 2.126 1.728 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 0.339 3.155 5.648 1.00 20.00 HETATM 15 C11 TOP A 201 1.020 2.950 6.866 1.00 20.00 HETATM 16 C12 TOP A 201 2.429 2.988 6.986 1.00 20.00 HETATM 17 C15 TOP A 201 3.222 3.047 5.801 1.00 20.00 HETATM 18 C18 TOP A 201 2.554 3.121 4.541 1.00 20.00 HETATM 19 C21 TOP A 201 1.143 3.191 4.495 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 3.025 2.743 8.219 1.00 20.00 HETATM 21 C14 TOP A 201 3.015 1.424 8.757 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 4.582 2.845 5.850 1.00 20.00 HETATM 23 C17 TOP A 201 5.061 1.507 5.809 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 3.279 3.032 3.364 1.00 20.00 HETATM 25 C20 TOP A 201 2.760 3.703 2.220 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL MODEL 3 REMARK VINA RESULT: -6.3 5.808 8.085 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 3.653 0.975 8.554 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 3.424 1.660 7.197 1.00 20.00 HETATM 3 C1 TOP A 201 4.397 1.581 6.197 1.00 20.00 HETATM 4 N2 TOP A 201 4.411 2.198 4.998 1.00 20.00 HETATM 5 C3 TOP A 201 3.292 2.957 4.682 1.00 20.00 HETATM 6 N5 TOP A 201 2.169 3.026 5.519 1.00 20.00 HETATM 7 C6 TOP A 201 2.257 2.397 6.769 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 3.273 3.658 3.488 1.00 20.00 HETATM 9 H41 TOP A 201 3.762 4.500 3.297 1.00 20.00 HETATM 10 H42 TOP A 201 2.745 3.328 2.678 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 1.127 2.558 7.535 1.00 20.00 HETATM 12 H71 TOP A 201 0.187 2.687 7.204 1.00 20.00 HETATM 13 H72 TOP A 201 1.163 2.557 8.546 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 5.083 0.434 8.894 1.00 20.00 HETATM 15 C11 TOP A 201 6.069 1.234 9.510 1.00 20.00 HETATM 16 C12 TOP A 201 7.406 0.811 9.699 1.00 20.00 HETATM 17 C15 TOP A 201 7.745 -0.550 9.434 1.00 20.00 HETATM 18 C18 TOP A 201 6.727 -1.417 8.935 1.00 20.00 HETATM 19 C21 TOP A 201 5.437 -0.906 8.662 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 8.311 1.647 10.343 1.00 20.00 HETATM 21 C14 TOP A 201 9.274 2.368 9.578 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 8.959 -1.065 9.826 1.00 20.00 HETATM 23 C17 TOP A 201 9.958 -1.251 8.831 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 6.972 -2.775 8.804 1.00 20.00 HETATM 25 C20 TOP A 201 5.847 -3.637 8.681 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL MODEL 4 REMARK VINA RESULT: -6.3 3.378 5.228 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 -2.345 3.098 3.151 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -0.873 3.256 2.738 1.00 20.00 HETATM 3 C1 TOP A 201 -0.528 4.092 1.673 1.00 20.00 HETATM 4 N2 TOP A 201 0.686 4.270 1.113 1.00 20.00 HETATM 5 C3 TOP A 201 1.743 3.593 1.704 1.00 20.00 HETATM 6 N5 TOP A 201 1.587 2.822 2.866 1.00 20.00 HETATM 7 C6 TOP A 201 0.285 2.647 3.353 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 3.004 3.694 1.140 1.00 20.00 HETATM 9 H41 TOP A 201 3.652 2.951 1.023 1.00 20.00 HETATM 10 H42 TOP A 201 3.359 4.578 0.772 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 0.227 1.841 4.466 1.00 20.00 HETATM 12 H71 TOP A 201 0.775 1.018 4.642 1.00 20.00 HETATM 13 H72 TOP A 201 -0.408 2.030 5.230 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 -2.971 4.149 4.129 1.00 20.00 HETATM 15 C11 TOP A 201 -4.359 4.395 4.190 1.00 20.00 HETATM 16 C12 TOP A 201 -4.931 5.435 4.961 1.00 20.00 HETATM 17 C15 TOP A 201 -4.103 6.156 5.873 1.00 20.00 HETATM 18 C18 TOP A 201 -2.713 5.833 5.926 1.00 20.00 HETATM 19 C21 TOP A 201 -2.181 4.859 5.049 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 -6.312 5.592 4.993 1.00 20.00 HETATM 21 C14 TOP A 201 -6.943 6.473 4.067 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 -4.651 7.002 6.809 1.00 20.00 HETATM 23 C17 TOP A 201 -4.740 8.384 6.488 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 -1.904 6.403 6.896 1.00 20.00 HETATM 25 C20 TOP A 201 -1.547 5.595 8.012 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL MODEL 5 REMARK VINA RESULT: -6.0 3.541 4.792 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 -1.137 3.487 5.743 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 -1.649 4.932 5.851 1.00 20.00 HETATM 3 C1 TOP A 201 -2.166 5.580 4.727 1.00 20.00 HETATM 4 N2 TOP A 201 -2.561 6.865 4.614 1.00 20.00 HETATM 5 C3 TOP A 201 -2.512 7.629 5.772 1.00 20.00 HETATM 6 N5 TOP A 201 -2.148 7.089 7.014 1.00 20.00 HETATM 7 C6 TOP A 201 -1.703 5.760 7.035 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 -2.853 8.969 5.705 1.00 20.00 HETATM 9 H41 TOP A 201 -3.473 9.445 6.318 1.00 20.00 HETATM 10 H42 TOP A 201 -2.455 9.592 5.000 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 -1.326 5.336 8.287 1.00 20.00 HETATM 12 H71 TOP A 201 -1.932 5.134 9.062 1.00 20.00 HETATM 13 H72 TOP A 201 -0.356 5.187 8.530 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 0.408 3.232 5.738 1.00 20.00 HETATM 15 C11 TOP A 201 1.146 3.019 6.922 1.00 20.00 HETATM 16 C12 TOP A 201 2.557 2.927 6.952 1.00 20.00 HETATM 17 C15 TOP A 201 3.273 2.854 5.719 1.00 20.00 HETATM 18 C18 TOP A 201 2.533 2.933 4.501 1.00 20.00 HETATM 19 C21 TOP A 201 1.133 3.136 4.537 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 3.208 2.684 8.157 1.00 20.00 HETATM 21 C14 TOP A 201 3.057 1.420 8.798 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 4.608 2.524 5.695 1.00 20.00 HETATM 23 C17 TOP A 201 4.958 1.148 5.766 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 3.166 2.719 3.287 1.00 20.00 HETATM 25 C20 TOP A 201 3.080 3.751 2.310 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL MODEL 6 REMARK VINA RESULT: -6.0 6.528 8.959 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 4.222 0.430 9.255 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 4.038 1.177 7.924 1.00 20.00 HETATM 3 C1 TOP A 201 4.106 0.482 6.714 1.00 20.00 HETATM 4 N2 TOP A 201 4.070 0.984 5.463 1.00 20.00 HETATM 5 C3 TOP A 201 3.877 2.354 5.352 1.00 20.00 HETATM 6 N5 TOP A 201 3.654 3.174 6.468 1.00 20.00 HETATM 7 C6 TOP A 201 3.757 2.582 7.735 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 3.887 2.933 4.095 1.00 20.00 HETATM 9 H41 TOP A 201 4.401 2.613 3.308 1.00 20.00 HETATM 10 H42 TOP A 201 3.323 3.757 3.877 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 3.567 3.472 8.765 1.00 20.00 HETATM 12 H71 TOP A 201 4.278 3.903 9.328 1.00 20.00 HETATM 13 H72 TOP A 201 2.643 3.775 9.046 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 5.575 0.587 10.028 1.00 20.00 HETATM 15 C11 TOP A 201 5.637 0.726 11.430 1.00 20.00 HETATM 16 C12 TOP A 201 6.832 1.008 12.132 1.00 20.00 HETATM 17 C15 TOP A 201 8.074 0.966 11.429 1.00 20.00 HETATM 18 C18 TOP A 201 8.050 0.694 10.027 1.00 20.00 HETATM 19 C21 TOP A 201 6.812 0.530 9.362 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 6.814 1.099 13.520 1.00 20.00 HETATM 21 C14 TOP A 201 5.703 0.580 14.246 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 9.271 0.995 12.105 1.00 20.00 HETATM 23 C17 TOP A 201 9.900 2.255 12.297 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 9.235 0.499 9.336 1.00 20.00 HETATM 25 C20 TOP A 201 9.678 -0.842 9.156 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL MODEL 7 REMARK VINA RESULT: -6.0 4.061 6.218 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 -1.187 2.383 4.834 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 0.331 2.572 4.977 1.00 20.00 HETATM 3 C1 TOP A 201 1.198 2.047 4.016 1.00 20.00 HETATM 4 N2 TOP A 201 2.547 2.029 4.032 1.00 20.00 HETATM 5 C3 TOP A 201 3.160 2.668 5.101 1.00 20.00 HETATM 6 N5 TOP A 201 2.433 3.364 6.078 1.00 20.00 HETATM 7 C6 TOP A 201 1.035 3.290 6.016 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 4.541 2.634 5.200 1.00 20.00 HETATM 9 H41 TOP A 201 5.068 2.061 5.816 1.00 20.00 HETATM 10 H42 TOP A 201 5.137 3.211 4.604 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 0.412 3.964 7.040 1.00 20.00 HETATM 12 H71 TOP A 201 0.691 3.986 8.004 1.00 20.00 HETATM 13 H72 TOP A 201 -0.420 4.519 6.886 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 -2.024 3.500 4.124 1.00 20.00 HETATM 15 C11 TOP A 201 -2.920 4.337 4.824 1.00 20.00 HETATM 16 C12 TOP A 201 -3.786 5.255 4.185 1.00 20.00 HETATM 17 C15 TOP A 201 -3.628 5.498 2.787 1.00 20.00 HETATM 18 C18 TOP A 201 -2.633 4.757 2.079 1.00 20.00 HETATM 19 C21 TOP A 201 -1.874 3.773 2.753 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 -4.617 6.067 4.949 1.00 20.00 HETATM 21 C14 TOP A 201 -5.976 5.689 5.154 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 -4.275 6.545 2.174 1.00 20.00 HETATM 23 C17 TOP A 201 -3.838 7.865 2.469 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 -2.346 5.064 0.759 1.00 20.00 HETATM 25 C20 TOP A 201 -1.094 4.629 0.240 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL MODEL 8 REMARK VINA RESULT: -5.9 15.258 17.216 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 12.650 -0.126 -7.104 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 13.065 0.096 -5.640 1.00 20.00 HETATM 3 C1 TOP A 201 14.301 0.675 -5.341 1.00 20.00 HETATM 4 N2 TOP A 201 14.867 0.851 -4.130 1.00 20.00 HETATM 5 C3 TOP A 201 14.106 0.471 -3.032 1.00 20.00 HETATM 6 N5 TOP A 201 12.790 0.001 -3.156 1.00 20.00 HETATM 7 C6 TOP A 201 12.296 -0.200 -4.452 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 14.656 0.577 -1.766 1.00 20.00 HETATM 9 H41 TOP A 201 14.600 -0.105 -1.046 1.00 20.00 HETATM 10 H42 TOP A 201 15.199 1.394 -1.481 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 11.018 -0.705 -4.472 1.00 20.00 HETATM 12 H71 TOP A 201 10.459 -0.899 -5.284 1.00 20.00 HETATM 13 H72 TOP A 201 10.519 -0.930 -3.621 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 11.610 0.849 -7.750 1.00 20.00 HETATM 15 C11 TOP A 201 10.331 0.426 -8.168 1.00 20.00 HETATM 16 C12 TOP A 201 9.431 1.255 -8.879 1.00 20.00 HETATM 17 C15 TOP A 201 9.735 2.642 -9.023 1.00 20.00 HETATM 18 C18 TOP A 201 10.968 3.124 -8.488 1.00 20.00 HETATM 19 C21 TOP A 201 11.876 2.223 -7.886 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 8.174 0.771 -9.228 1.00 20.00 HETATM 21 C14 TOP A 201 7.229 0.464 -8.207 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 8.791 3.528 -9.489 1.00 20.00 HETATM 23 C17 TOP A 201 7.915 4.128 -8.544 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 11.235 4.484 -8.476 1.00 20.00 HETATM 25 C20 TOP A 201 12.045 5.004 -9.524 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL MODEL 9 REMARK VINA RESULT: -5.8 15.297 17.206 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 12.866 -0.084 -7.028 1.00 20.00 ENDROOT BRANCH 1 2 HETATM 2 C8 TOP A 201 13.210 0.075 -5.538 1.00 20.00 HETATM 3 C1 TOP A 201 14.445 0.605 -5.155 1.00 20.00 HETATM 4 N2 TOP A 201 14.951 0.721 -3.910 1.00 20.00 HETATM 5 C3 TOP A 201 14.123 0.327 -2.868 1.00 20.00 HETATM 6 N5 TOP A 201 12.803 -0.098 -3.076 1.00 20.00 HETATM 7 C6 TOP A 201 12.372 -0.238 -4.403 1.00 20.00 BRANCH 5 8 HETATM 8 N4 TOP A 201 14.609 0.372 -1.572 1.00 20.00 HETATM 9 H41 TOP A 201 15.486 0.741 -1.290 1.00 20.00 HETATM 10 H42 TOP A 201 14.062 0.030 -0.780 1.00 20.00 ENDBRANCH 5 8 BRANCH 7 11 HETATM 11 N7 TOP A 201 11.082 -0.702 -4.506 1.00 20.00 HETATM 12 H71 TOP A 201 10.717 -1.558 -4.127 1.00 20.00 HETATM 13 H72 TOP A 201 10.366 -0.185 -5.000 1.00 20.00 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 14 HETATM 14 C10 TOP A 201 11.795 0.867 -7.660 1.00 20.00 HETATM 15 C11 TOP A 201 12.046 2.232 -7.912 1.00 20.00 HETATM 16 C12 TOP A 201 11.051 3.138 -8.351 1.00 20.00 HETATM 17 C15 TOP A 201 9.777 2.629 -8.743 1.00 20.00 HETATM 18 C18 TOP A 201 9.541 1.226 -8.623 1.00 20.00 HETATM 19 C21 TOP A 201 10.539 0.388 -8.073 1.00 20.00 BRANCH 16 20 HETATM 20 O13 TOP A 201 11.388 4.463 -8.607 1.00 20.00 HETATM 21 C14 TOP A 201 12.601 4.762 -9.291 1.00 20.00 ENDBRANCH 16 20 BRANCH 17 22 HETATM 22 O16 TOP A 201 8.867 3.428 -9.397 1.00 20.00 HETATM 23 C17 TOP A 201 7.919 4.139 -8.612 1.00 20.00 ENDBRANCH 17 22 BRANCH 18 24 HETATM 24 O19 TOP A 201 8.376 0.671 -9.128 1.00 20.00 HETATM 25 C20 TOP A 201 7.302 0.457 -8.218 1.00 20.00 ENDBRANCH 18 24 ENDBRANCH 1 14 TORSDOF 7 ENDMDL rr/./complex-rr-9.pdb0000664000076600007660000024266012303120275014142 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