EXPDTA Phyre-2_TS2-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called Phyre-2_TS2-scwrl ATOM 1 N MET A 1 13.245 1.353 -8.703 1.00 0.00 ATOM 2 CA MET A 1 12.223 0.339 -8.868 1.00 0.00 ATOM 3 CB MET A 1 12.005 0.034 -10.351 1.00 0.00 ATOM 4 CG MET A 1 10.848 -0.912 -10.627 1.00 0.00 ATOM 5 SD MET A 1 10.601 -1.214 -12.387 1.00 0.00 ATOM 6 CE MET A 1 9.834 0.325 -12.890 1.00 0.00 ATOM 7 O MET A 1 13.688 -1.495 -8.409 1.00 0.00 ATOM 8 C MET A 1 12.609 -0.960 -8.175 1.00 0.00 ATOM 9 N ASP A 2 11.728 -1.445 -7.304 1.00 0.00 ATOM 10 CA ASP A 2 11.929 -2.700 -6.584 1.00 0.00 ATOM 11 CB ASP A 2 12.847 -2.485 -5.379 1.00 0.00 ATOM 12 CG ASP A 2 12.242 -1.557 -4.344 1.00 0.00 ATOM 13 OD1 ASP A 2 11.019 -1.310 -4.410 1.00 0.00 ATOM 14 OD2 ASP A 2 12.991 -1.077 -3.467 1.00 0.00 ATOM 15 O ASP A 2 9.533 -2.582 -6.409 1.00 0.00 ATOM 16 C ASP A 2 10.566 -3.190 -6.114 1.00 0.00 ATOM 17 N ALA A 3 10.526 -4.294 -5.378 1.00 0.00 ATOM 18 CA ALA A 3 9.251 -4.825 -4.915 1.00 0.00 ATOM 19 CB ALA A 3 9.181 -6.325 -5.159 1.00 0.00 ATOM 20 O ALA A 3 8.031 -5.057 -2.852 1.00 0.00 ATOM 21 C ALA A 3 9.022 -4.599 -3.428 1.00 0.00 ATOM 22 N LYS A 4 9.935 -3.886 -2.777 1.00 0.00 ATOM 23 CA LYS A 4 9.819 -3.638 -1.343 1.00 0.00 ATOM 24 CB LYS A 4 10.752 -2.502 -0.918 1.00 0.00 ATOM 25 CG LYS A 4 10.385 -1.147 -1.499 1.00 0.00 ATOM 26 CD LYS A 4 11.412 -0.090 -1.128 1.00 0.00 ATOM 27 CE LYS A 4 11.052 1.263 -1.721 1.00 0.00 ATOM 28 NZ LYS A 4 12.055 2.306 -1.373 1.00 0.00 ATOM 29 O LYS A 4 7.990 -3.698 0.229 1.00 0.00 ATOM 30 C LYS A 4 8.437 -3.234 -0.823 1.00 0.00 ATOM 31 N PHE A 5 7.733 -2.364 -1.546 1.00 0.00 ATOM 32 CA PHE A 5 6.409 -1.954 -1.095 1.00 0.00 ATOM 33 CB PHE A 5 5.698 -1.147 -2.183 1.00 0.00 ATOM 34 CG PHE A 5 6.200 0.262 -2.318 1.00 0.00 ATOM 35 CD1 PHE A 5 7.094 0.602 -3.319 1.00 0.00 ATOM 36 CD2 PHE A 5 5.779 1.249 -1.444 1.00 0.00 ATOM 37 CE1 PHE A 5 7.556 1.898 -3.443 1.00 0.00 ATOM 38 CE2 PHE A 5 6.241 2.546 -1.567 1.00 0.00 ATOM 39 CZ PHE A 5 7.126 2.872 -2.562 1.00 0.00 ATOM 40 O PHE A 5 5.105 -3.365 0.363 1.00 0.00 ATOM 41 C PHE A 5 5.564 -3.178 -0.768 1.00 0.00 ATOM 42 N LEU A 6 5.345 -4.035 -1.759 1.00 0.00 ATOM 43 CA LEU A 6 4.529 -5.220 -1.550 1.00 0.00 ATOM 44 CB LEU A 6 4.095 -5.815 -2.891 1.00 0.00 ATOM 45 CG LEU A 6 3.164 -4.952 -3.746 1.00 0.00 ATOM 46 CD1 LEU A 6 2.897 -5.617 -5.088 1.00 0.00 ATOM 47 CD2 LEU A 6 1.830 -4.744 -3.045 1.00 0.00 ATOM 48 O LEU A 6 4.622 -7.072 -0.007 1.00 0.00 ATOM 49 C LEU A 6 5.234 -6.339 -0.788 1.00 0.00 ATOM 50 N GLU A 7 6.537 -6.487 -1.004 1.00 0.00 ATOM 51 CA GLU A 7 7.275 -7.535 -0.309 1.00 0.00 ATOM 52 CB GLU A 7 8.701 -7.638 -0.854 1.00 0.00 ATOM 53 CG GLU A 7 8.787 -8.195 -2.266 1.00 0.00 ATOM 54 CD GLU A 7 10.199 -8.167 -2.818 1.00 0.00 ATOM 55 OE1 GLU A 7 11.098 -7.646 -2.124 1.00 0.00 ATOM 56 OE2 GLU A 7 10.406 -8.666 -3.944 1.00 0.00 ATOM 57 O GLU A 7 7.145 -8.062 2.038 1.00 0.00 ATOM 58 C GLU A 7 7.330 -7.204 1.171 1.00 0.00 ATOM 59 N ILE A 8 7.588 -5.940 1.480 1.00 0.00 ATOM 60 CA ILE A 8 7.635 -5.517 2.870 1.00 0.00 ATOM 61 CB ILE A 8 8.261 -4.117 3.013 1.00 0.00 ATOM 62 CG1 ILE A 8 9.743 -4.154 2.636 1.00 0.00 ATOM 63 CG2 ILE A 8 8.141 -3.624 4.447 1.00 0.00 ATOM 64 CD1 ILE A 8 10.371 -2.785 2.491 1.00 0.00 ATOM 65 O ILE A 8 5.963 -5.998 4.531 1.00 0.00 ATOM 66 C ILE A 8 6.217 -5.471 3.444 1.00 0.00 ATOM 67 N LEU A 9 5.319 -4.891 2.794 1.00 0.00 ATOM 68 CA LEU A 9 3.949 -4.627 3.244 1.00 0.00 ATOM 69 CB LEU A 9 3.109 -4.060 2.098 1.00 0.00 ATOM 70 CG LEU A 9 3.473 -2.652 1.622 1.00 0.00 ATOM 71 CD1 LEU A 9 2.668 -2.277 0.388 1.00 0.00 ATOM 72 CD2 LEU A 9 3.186 -1.626 2.708 1.00 0.00 ATOM 73 O LEU A 9 3.732 -7.029 3.167 1.00 0.00 ATOM 74 C LEU A 9 3.398 -5.970 3.706 1.00 0.00 ATOM 75 N VAL A 10 2.539 -5.942 4.721 1.00 0.00 ATOM 76 CA VAL A 10 1.927 -7.156 5.254 1.00 0.00 ATOM 77 CB VAL A 10 2.610 -7.607 6.559 1.00 0.00 ATOM 78 CG1 VAL A 10 4.074 -7.936 6.307 1.00 0.00 ATOM 79 CG2 VAL A 10 2.538 -6.505 7.605 1.00 0.00 ATOM 80 O VAL A 10 -0.061 -5.803 5.472 1.00 0.00 ATOM 81 C VAL A 10 0.448 -6.924 5.556 1.00 0.00 ATOM 82 N CYS A 11 -0.266 -7.990 5.913 1.00 0.00 ATOM 83 CA CYS A 11 -1.675 -7.846 6.252 1.00 0.00 ATOM 84 CB CYS A 11 -2.287 -9.207 6.590 1.00 0.00 ATOM 85 SG CYS A 11 -4.033 -9.147 7.053 1.00 0.00 ATOM 86 O CYS A 11 -1.192 -7.176 8.526 1.00 0.00 ATOM 87 C CYS A 11 -1.777 -6.914 7.472 1.00 0.00 ATOM 88 N PRO A 12 -2.527 -5.800 7.349 1.00 0.00 ATOM 89 CA PRO A 12 -2.657 -4.863 8.473 1.00 0.00 ATOM 90 CB PRO A 12 -3.302 -3.624 7.849 1.00 0.00 ATOM 91 CG PRO A 12 -4.031 -4.143 6.655 1.00 0.00 ATOM 92 CD PRO A 12 -3.200 -5.274 6.119 1.00 0.00 ATOM 93 O PRO A 12 -3.421 -4.875 10.764 1.00 0.00 ATOM 94 C PRO A 12 -3.514 -5.359 9.633 1.00 0.00 ATOM 95 N LEU A 13 -4.364 -6.340 9.359 1.00 0.00 ATOM 96 CA LEU A 13 -5.226 -6.889 10.396 1.00 0.00 ATOM 97 CB LEU A 13 -6.601 -7.235 9.822 1.00 0.00 ATOM 98 CG LEU A 13 -7.432 -6.062 9.298 1.00 0.00 ATOM 99 CD1 LEU A 13 -8.715 -6.559 8.650 1.00 0.00 ATOM 100 CD2 LEU A 13 -7.806 -5.119 10.431 1.00 0.00 ATOM 101 O LEU A 13 -4.601 -8.302 12.248 1.00 0.00 ATOM 102 C LEU A 13 -4.663 -8.167 11.023 1.00 0.00 ATOM 103 N CYS A 14 -4.245 -9.127 10.204 1.00 0.00 ATOM 104 CA CYS A 14 -3.782 -10.401 10.755 1.00 0.00 ATOM 105 CB CYS A 14 -4.691 -11.544 10.298 1.00 0.00 ATOM 106 SG CYS A 14 -4.725 -11.802 8.509 1.00 0.00 ATOM 107 O CYS A 14 -1.978 -11.993 10.668 1.00 0.00 ATOM 108 C CYS A 14 -2.375 -10.858 10.390 1.00 0.00 ATOM 109 N LYS A 15 -1.595 -9.989 9.763 1.00 0.00 ATOM 110 CA LYS A 15 -0.242 -10.331 9.374 1.00 0.00 ATOM 111 CB LYS A 15 0.494 -11.007 10.533 1.00 0.00 ATOM 112 CG LYS A 15 0.664 -10.124 11.759 1.00 0.00 ATOM 113 CD LYS A 15 1.419 -10.850 12.861 1.00 0.00 ATOM 114 CE LYS A 15 1.501 -10.005 14.122 1.00 0.00 ATOM 115 NZ LYS A 15 2.209 -10.717 15.222 1.00 0.00 ATOM 116 O LYS A 15 0.947 -11.905 8.008 1.00 0.00 ATOM 117 C LYS A 15 -0.099 -11.280 8.201 1.00 0.00 ATOM 118 N GLY A 16 -1.144 -11.414 7.387 1.00 0.00 ATOM 119 CA GLY A 16 -1.109 -12.305 6.225 1.00 0.00 ATOM 120 O GLY A 16 -0.103 -10.544 4.929 1.00 0.00 ATOM 121 C GLY A 16 -0.234 -11.758 5.106 1.00 0.00 ATOM 122 N PRO A 17 0.393 -12.652 4.318 1.00 0.00 ATOM 123 CA PRO A 17 1.214 -12.171 3.208 1.00 0.00 ATOM 124 CB PRO A 17 2.016 -13.402 2.780 1.00 0.00 ATOM 125 CG PRO A 17 1.180 -14.560 3.210 1.00 0.00 ATOM 126 CD PRO A 17 0.481 -14.127 4.468 1.00 0.00 ATOM 127 O PRO A 17 -0.693 -12.205 1.721 1.00 0.00 ATOM 128 C PRO A 17 0.352 -11.646 2.063 1.00 0.00 ATOM 129 N LEU A 18 0.795 -10.556 1.459 1.00 0.00 ATOM 130 CA LEU A 18 0.034 -10.001 0.308 1.00 0.00 ATOM 131 CB LEU A 18 0.038 -8.472 0.350 1.00 0.00 ATOM 132 CG LEU A 18 -0.952 -7.818 1.316 1.00 0.00 ATOM 133 CD1 LEU A 18 -0.696 -8.279 2.743 1.00 0.00 ATOM 134 CD2 LEU A 18 -0.822 -6.303 1.275 1.00 0.00 ATOM 135 O LEU A 18 1.943 -10.768 -0.997 1.00 0.00 ATOM 136 C LEU A 18 0.737 -10.506 -0.986 1.00 0.00 ATOM 137 N VAL A 19 -0.026 -10.649 -2.109 1.00 0.00 ATOM 138 CA VAL A 19 0.521 -11.126 -3.378 1.00 0.00 ATOM 139 CB VAL A 19 -0.210 -12.390 -3.868 1.00 0.00 ATOM 140 CG1 VAL A 19 -0.048 -13.522 -2.864 1.00 0.00 ATOM 141 CG2 VAL A 19 -1.695 -12.112 -4.044 1.00 0.00 ATOM 142 O VAL A 19 -0.039 -8.953 -4.213 1.00 0.00 ATOM 143 C VAL A 19 0.393 -10.078 -4.467 1.00 0.00 ATOM 144 N PHE A 20 0.747 -10.456 -5.686 1.00 0.00 ATOM 145 CA PHE A 20 0.670 -9.542 -6.779 1.00 0.00 ATOM 146 CB PHE A 20 2.061 -9.283 -7.360 1.00 0.00 ATOM 147 CG PHE A 20 2.062 -8.359 -8.544 1.00 0.00 ATOM 148 CD1 PHE A 20 1.890 -6.996 -8.377 1.00 0.00 ATOM 149 CD2 PHE A 20 2.234 -8.853 -9.826 1.00 0.00 ATOM 150 CE1 PHE A 20 1.890 -6.146 -9.467 1.00 0.00 ATOM 151 CE2 PHE A 20 2.234 -8.003 -10.915 1.00 0.00 ATOM 152 CZ PHE A 20 2.063 -6.655 -10.740 1.00 0.00 ATOM 153 O PHE A 20 -0.060 -11.171 -8.407 1.00 0.00 ATOM 154 C PHE A 20 -0.203 -10.048 -7.917 1.00 0.00 ATOM 155 N ASP A 21 -1.130 -9.202 -8.349 1.00 0.00 ATOM 156 CA ASP A 21 -1.971 -9.504 -9.494 1.00 0.00 ATOM 157 CB ASP A 21 -3.298 -8.748 -9.399 1.00 0.00 ATOM 158 CG ASP A 21 -4.232 -9.063 -10.550 1.00 0.00 ATOM 159 OD1 ASP A 21 -3.804 -9.771 -11.486 1.00 0.00 ATOM 160 OD2 ASP A 21 -5.392 -8.602 -10.517 1.00 0.00 ATOM 161 O ASP A 21 -1.086 -7.845 -11.025 1.00 0.00 ATOM 162 C ASP A 21 -1.138 -9.039 -10.716 1.00 0.00 ATOM 163 N LYS A 22 -0.445 -10.000 -11.350 1.00 0.00 ATOM 164 CA LYS A 22 0.483 -9.730 -12.485 1.00 0.00 ATOM 165 CB LYS A 22 0.775 -11.019 -13.256 1.00 0.00 ATOM 166 CG LYS A 22 1.778 -10.852 -14.386 1.00 0.00 ATOM 167 CD LYS A 22 2.091 -12.184 -15.048 1.00 0.00 ATOM 168 CE LYS A 22 3.017 -12.004 -16.240 1.00 0.00 ATOM 169 NZ LYS A 22 3.436 -13.310 -16.819 1.00 0.00 ATOM 170 O LYS A 22 0.774 -7.773 -13.853 1.00 0.00 ATOM 171 C LYS A 22 0.070 -8.747 -13.572 1.00 0.00 ATOM 172 N SER A 23 -1.070 -8.973 -14.205 1.00 0.00 ATOM 173 CA SER A 23 -1.505 -8.064 -15.270 1.00 0.00 ATOM 174 CB SER A 23 -2.129 -8.851 -16.424 1.00 0.00 ATOM 175 OG SER A 23 -3.259 -9.586 -15.989 1.00 0.00 ATOM 176 O SER A 23 -3.535 -6.759 -15.437 1.00 0.00 ATOM 177 C SER A 23 -2.543 -7.068 -14.771 1.00 0.00 ATOM 178 N LYS A 24 -2.310 -6.559 -13.582 1.00 0.00 ATOM 179 CA LYS A 24 -3.173 -5.587 -12.966 1.00 0.00 ATOM 180 CB LYS A 24 -4.108 -6.262 -11.960 1.00 0.00 ATOM 181 CG LYS A 24 -5.090 -5.313 -11.293 1.00 0.00 ATOM 182 CD LYS A 24 -6.167 -4.859 -12.264 1.00 0.00 ATOM 183 CE LYS A 24 -7.183 -3.959 -11.581 1.00 0.00 ATOM 184 NZ LYS A 24 -8.198 -3.439 -12.539 1.00 0.00 ATOM 185 O LYS A 24 -2.434 -3.386 -12.300 1.00 0.00 ATOM 186 C LYS A 24 -2.249 -4.606 -12.273 1.00 0.00 ATOM 187 N ASP A 25 -1.213 -5.164 -11.630 1.00 0.00 ATOM 188 CA ASP A 25 -0.208 -4.396 -10.892 1.00 0.00 ATOM 189 CB ASP A 25 0.323 -3.245 -11.749 1.00 0.00 ATOM 190 CG ASP A 25 1.655 -2.717 -11.255 1.00 0.00 ATOM 191 OD1 ASP A 25 2.298 -3.402 -10.432 1.00 0.00 ATOM 192 OD2 ASP A 25 2.056 -1.617 -11.690 1.00 0.00 ATOM 193 O ASP A 25 -0.647 -2.592 -9.349 1.00 0.00 ATOM 194 C ASP A 25 -0.762 -3.791 -9.613 1.00 0.00 ATOM 195 N GLU A 26 -1.377 -4.637 -8.801 1.00 0.00 ATOM 196 CA GLU A 26 -1.979 -4.216 -7.553 1.00 0.00 ATOM 197 CB GLU A 26 -3.461 -3.894 -7.755 1.00 0.00 ATOM 198 CG GLU A 26 -3.723 -2.782 -8.758 1.00 0.00 ATOM 199 CD GLU A 26 -5.202 -2.534 -8.979 1.00 0.00 ATOM 200 OE1 GLU A 26 -6.023 -3.236 -8.352 1.00 0.00 ATOM 201 OE2 GLU A 26 -5.541 -1.636 -9.778 1.00 0.00 ATOM 202 O GLU A 26 -1.628 -6.514 -6.909 1.00 0.00 ATOM 203 C GLU A 26 -1.839 -5.359 -6.529 1.00 0.00 ATOM 204 N LEU A 27 -1.946 -5.094 -5.268 1.00 0.00 ATOM 205 CA LEU A 27 -1.568 -6.013 -4.186 1.00 0.00 ATOM 206 CB LEU A 27 -1.093 -5.231 -2.960 1.00 0.00 ATOM 207 CG LEU A 27 -0.677 -6.062 -1.745 1.00 0.00 ATOM 208 CD1 LEU A 27 0.570 -6.876 -2.053 1.00 0.00 ATOM 209 CD2 LEU A 27 -0.375 -5.163 -0.556 1.00 0.00 ATOM 210 O LEU A 27 -3.880 -6.289 -3.573 1.00 0.00 ATOM 211 C LEU A 27 -2.803 -6.829 -3.841 1.00 0.00 ATOM 212 N ILE A 28 -2.670 -8.140 -3.841 1.00 0.00 ATOM 213 CA ILE A 28 -3.803 -9.015 -3.527 1.00 0.00 ATOM 214 CB ILE A 28 -4.193 -9.889 -4.734 1.00 0.00 ATOM 215 CG1 ILE A 28 -4.540 -9.011 -5.938 1.00 0.00 ATOM 216 CG2 ILE A 28 -5.401 -10.750 -4.400 1.00 0.00 ATOM 217 CD1 ILE A 28 -5.728 -8.103 -5.709 1.00 0.00 ATOM 218 O ILE A 28 -2.357 -10.611 -2.450 1.00 0.00 ATOM 219 C ILE A 28 -3.364 -9.904 -2.361 1.00 0.00 ATOM 220 N CYS A 29 -4.097 -9.896 -1.247 1.00 0.00 ATOM 221 CA CYS A 29 -3.694 -10.749 -0.130 1.00 0.00 ATOM 222 CB CYS A 29 -3.529 -9.920 1.145 1.00 0.00 ATOM 223 SG CYS A 29 -2.979 -10.865 2.585 1.00 0.00 ATOM 224 O CYS A 29 -5.855 -11.744 -0.427 1.00 0.00 ATOM 225 C CYS A 29 -4.749 -11.817 0.116 1.00 0.00 ATOM 226 N LYS A 30 -4.457 -12.829 0.926 1.00 0.00 ATOM 227 CA LYS A 30 -5.544 -13.773 1.181 1.00 0.00 ATOM 228 CB LYS A 30 -5.866 -14.573 -0.083 1.00 0.00 ATOM 229 CG LYS A 30 -6.981 -15.591 0.095 1.00 0.00 ATOM 230 CD LYS A 30 -7.167 -16.430 -1.159 1.00 0.00 ATOM 231 CE LYS A 30 -7.721 -15.597 -2.303 1.00 0.00 ATOM 232 NZ LYS A 30 -8.046 -16.433 -3.492 1.00 0.00 ATOM 233 O LYS A 30 -4.043 -15.228 2.368 1.00 0.00 ATOM 234 C LYS A 30 -5.182 -14.762 2.279 1.00 0.00 ATOM 235 N GLY A 31 -6.146 -15.109 3.150 1.00 0.00 ATOM 236 CA GLY A 31 -5.869 -16.072 4.188 1.00 0.00 ATOM 237 O GLY A 31 -6.812 -17.655 2.639 1.00 0.00 ATOM 238 C GLY A 31 -6.658 -17.310 3.813 1.00 0.00 ATOM 239 N ASP A 32 -7.172 -18.003 4.823 1.00 0.00 ATOM 240 CA ASP A 32 -7.942 -19.232 4.652 1.00 0.00 ATOM 241 CB ASP A 32 -7.906 -20.069 5.932 1.00 0.00 ATOM 242 CG ASP A 32 -6.551 -20.705 6.174 1.00 0.00 ATOM 243 OD1 ASP A 32 -5.726 -20.719 5.238 1.00 0.00 ATOM 244 OD2 ASP A 32 -6.315 -21.189 7.301 1.00 0.00 ATOM 245 O ASP A 32 -10.165 -19.798 3.872 1.00 0.00 ATOM 246 C ASP A 32 -9.408 -18.935 4.325 1.00 0.00 ATOM 247 N ARG A 33 -9.815 -17.688 4.559 1.00 0.00 ATOM 248 CA ARG A 33 -11.190 -17.250 4.348 1.00 0.00 ATOM 249 CB ARG A 33 -11.561 -16.149 5.344 1.00 0.00 ATOM 250 CG ARG A 33 -11.562 -16.601 6.796 1.00 0.00 ATOM 251 CD ARG A 33 -11.959 -15.466 7.726 1.00 0.00 ATOM 252 NE ARG A 33 -11.920 -15.871 9.130 1.00 0.00 ATOM 253 CZ ARG A 33 -12.148 -15.050 10.150 1.00 0.00 ATOM 254 NH1 ARG A 33 -12.091 -15.507 11.393 1.00 0.00 ATOM 255 NH2 ARG A 33 -12.432 -13.775 9.924 1.00 0.00 ATOM 256 O ARG A 33 -12.427 -16.111 2.608 1.00 0.00 ATOM 257 C ARG A 33 -11.390 -16.694 2.935 1.00 0.00 ATOM 258 N LEU A 34 -10.389 -16.872 2.082 1.00 0.00 ATOM 259 CA LEU A 34 -10.448 -16.415 0.697 1.00 0.00 ATOM 260 CB LEU A 34 -11.612 -17.083 -0.038 1.00 0.00 ATOM 261 CG LEU A 34 -11.549 -18.606 -0.165 1.00 0.00 ATOM 262 CD1 LEU A 34 -12.832 -19.148 -0.777 1.00 0.00 ATOM 263 CD2 LEU A 34 -10.386 -19.025 -1.050 1.00 0.00 ATOM 264 O LEU A 34 -11.746 -14.404 0.340 1.00 0.00 ATOM 265 C LEU A 34 -10.646 -14.904 0.589 1.00 0.00 ATOM 266 N ALA A 35 -9.564 -14.165 0.781 1.00 0.00 ATOM 267 CA ALA A 35 -9.636 -12.719 0.731 1.00 0.00 ATOM 268 CB ALA A 35 -10.303 -12.178 1.986 1.00 0.00 ATOM 269 O ALA A 35 -7.258 -12.786 1.088 1.00 0.00 ATOM 270 C ALA A 35 -8.230 -12.178 0.631 1.00 0.00 ATOM 271 N PHE A 36 -8.108 -11.009 0.022 1.00 0.00 ATOM 272 CA PHE A 36 -6.913 -10.186 0.145 1.00 0.00 ATOM 273 CB PHE A 36 -6.711 -9.342 -1.115 1.00 0.00 ATOM 274 CG PHE A 36 -7.806 -8.343 -1.357 1.00 0.00 ATOM 275 CD1 PHE A 36 -7.741 -7.075 -0.805 1.00 0.00 ATOM 276 CD2 PHE A 36 -8.902 -8.670 -2.137 1.00 0.00 ATOM 277 CE1 PHE A 36 -8.748 -6.156 -1.028 1.00 0.00 ATOM 278 CE2 PHE A 36 -9.909 -7.751 -2.360 1.00 0.00 ATOM 279 CZ PHE A 36 -9.836 -6.498 -1.809 1.00 0.00 ATOM 280 O PHE A 36 -8.261 -9.125 1.826 1.00 0.00 ATOM 281 C PHE A 36 -7.133 -9.294 1.355 1.00 0.00 ATOM 282 N PRO A 37 -6.069 -8.700 1.890 1.00 0.00 ATOM 283 CA PRO A 37 -6.221 -7.830 3.059 1.00 0.00 ATOM 284 CB PRO A 37 -5.019 -8.179 3.939 1.00 0.00 ATOM 285 CG PRO A 37 -3.907 -8.421 2.974 1.00 0.00 ATOM 286 CD PRO A 37 -4.535 -9.058 1.766 1.00 0.00 ATOM 287 O PRO A 37 -6.033 -5.464 3.523 1.00 0.00 ATOM 288 C PRO A 37 -6.211 -6.348 2.681 1.00 0.00 ATOM 289 N ILE A 38 -6.403 -6.063 1.395 1.00 0.00 ATOM 290 CA ILE A 38 -6.707 -4.709 0.950 1.00 0.00 ATOM 291 CB ILE A 38 -5.453 -3.998 0.409 1.00 0.00 ATOM 292 CG1 ILE A 38 -4.872 -4.769 -0.777 1.00 0.00 ATOM 293 CG2 ILE A 38 -4.387 -3.902 1.490 1.00 0.00 ATOM 294 CD1 ILE A 38 -3.760 -4.037 -1.497 1.00 0.00 ATOM 295 O ILE A 38 -7.921 -5.747 -0.856 1.00 0.00 ATOM 296 C ILE A 38 -7.743 -4.746 -0.157 1.00 0.00 ATOM 297 N LYS A 39 -8.448 -3.632 -0.328 1.00 0.00 ATOM 298 CA LYS A 39 -9.407 -3.477 -1.420 1.00 0.00 ATOM 299 CB LYS A 39 -10.742 -2.949 -0.890 1.00 0.00 ATOM 300 CG LYS A 39 -11.458 -3.904 0.050 1.00 0.00 ATOM 301 CD LYS A 39 -12.799 -3.342 0.493 1.00 0.00 ATOM 302 CE LYS A 39 -13.492 -4.274 1.473 1.00 0.00 ATOM 303 NZ LYS A 39 -14.792 -3.720 1.942 1.00 0.00 ATOM 304 O LYS A 39 -9.563 -2.339 -3.522 1.00 0.00 ATOM 305 C LYS A 39 -8.920 -2.500 -2.488 1.00 0.00 ATOM 306 N ASP A 40 -7.776 -1.865 -2.240 1.00 0.00 ATOM 307 CA ASP A 40 -7.234 -0.890 -3.185 1.00 0.00 ATOM 308 CB ASP A 40 -7.690 0.523 -2.817 1.00 0.00 ATOM 309 CG ASP A 40 -7.370 1.538 -3.897 1.00 0.00 ATOM 310 OD1 ASP A 40 -7.059 1.120 -5.032 1.00 0.00 ATOM 311 OD2 ASP A 40 -7.430 2.752 -3.608 1.00 0.00 ATOM 312 O ASP A 40 -5.051 0.099 -2.859 1.00 0.00 ATOM 313 C ASP A 40 -5.702 -0.893 -3.200 1.00 0.00 ATOM 314 N GLY A 41 -5.106 -2.014 -3.596 1.00 0.00 ATOM 315 CA GLY A 41 -3.659 -2.096 -3.677 1.00 0.00 ATOM 316 O GLY A 41 -3.415 -0.934 -1.574 1.00 0.00 ATOM 317 C GLY A 41 -2.894 -1.620 -2.459 1.00 0.00 ATOM 318 N ILE A 42 -1.624 -1.994 -2.414 1.00 0.00 ATOM 319 CA ILE A 42 -0.750 -1.620 -1.300 1.00 0.00 ATOM 320 CB ILE A 42 0.624 -2.308 -1.405 1.00 0.00 ATOM 321 CG1 ILE A 42 0.468 -3.827 -1.314 1.00 0.00 ATOM 322 CG2 ILE A 42 1.537 -1.849 -0.278 1.00 0.00 ATOM 323 CD1 ILE A 42 -0.133 -4.303 -0.010 1.00 0.00 ATOM 324 O ILE A 42 -0.714 0.516 -0.197 1.00 0.00 ATOM 325 C ILE A 42 -0.479 -0.112 -1.230 1.00 0.00 ATOM 326 N PRO A 43 0.018 0.488 -2.327 1.00 0.00 ATOM 327 CA PRO A 43 0.315 1.926 -2.366 1.00 0.00 ATOM 328 CB PRO A 43 0.823 2.161 -3.790 1.00 0.00 ATOM 329 CG PRO A 43 1.380 0.842 -4.210 1.00 0.00 ATOM 330 CD PRO A 43 0.482 -0.201 -3.607 1.00 0.00 ATOM 331 O PRO A 43 -0.760 3.933 -1.556 1.00 0.00 ATOM 332 C PRO A 43 -0.892 2.825 -2.084 1.00 0.00 ATOM 333 N MET A 44 -2.085 2.363 -2.432 1.00 0.00 ATOM 334 CA MET A 44 -3.279 3.175 -2.208 1.00 0.00 ATOM 335 CB MET A 44 -4.365 2.823 -3.226 1.00 0.00 ATOM 336 CG MET A 44 -3.987 3.124 -4.667 1.00 0.00 ATOM 337 SD MET A 44 -3.568 4.859 -4.928 1.00 0.00 ATOM 338 CE MET A 44 -5.172 5.629 -4.718 1.00 0.00 ATOM 339 O MET A 44 -4.510 3.929 -0.294 1.00 0.00 ATOM 340 C MET A 44 -3.907 3.001 -0.831 1.00 0.00 ATOM 341 N MET A 45 -3.765 1.813 -0.260 1.00 0.00 ATOM 342 CA MET A 45 -4.365 1.536 1.045 1.00 0.00 ATOM 343 CB MET A 45 -4.685 0.046 1.182 1.00 0.00 ATOM 344 CG MET A 45 -5.711 -0.463 0.183 1.00 0.00 ATOM 345 SD MET A 45 -7.282 0.415 0.290 1.00 0.00 ATOM 346 CE MET A 45 -7.862 -0.124 1.897 1.00 0.00 ATOM 347 O MET A 45 -3.744 2.225 3.282 1.00 0.00 ATOM 348 C MET A 45 -3.391 1.937 2.135 1.00 0.00 ATOM 349 N LEU A 46 -2.127 1.949 1.744 1.00 0.00 ATOM 350 CA LEU A 46 -1.021 2.389 2.600 1.00 0.00 ATOM 351 CB LEU A 46 0.302 1.791 2.116 1.00 0.00 ATOM 352 CG LEU A 46 1.516 2.012 3.020 1.00 0.00 ATOM 353 CD1 LEU A 46 1.279 1.411 4.396 1.00 0.00 ATOM 354 CD2 LEU A 46 2.755 1.362 2.424 1.00 0.00 ATOM 355 O LEU A 46 -0.345 4.489 3.576 1.00 0.00 ATOM 356 C LEU A 46 -0.853 3.905 2.615 1.00 0.00 ATOM 357 N GLU A 47 -1.281 4.569 1.544 1.00 0.00 ATOM 358 CA GLU A 47 -1.154 6.019 1.466 1.00 0.00 ATOM 359 CB GLU A 47 -1.559 6.518 0.078 1.00 0.00 ATOM 360 CG GLU A 47 -1.391 8.017 -0.117 1.00 0.00 ATOM 361 CD GLU A 47 -1.713 8.461 -1.530 1.00 0.00 ATOM 362 OE1 GLU A 47 -2.043 7.592 -2.365 1.00 0.00 ATOM 363 OE2 GLU A 47 -1.636 9.677 -1.802 1.00 0.00 ATOM 364 O GLU A 47 -1.768 7.825 2.959 1.00 0.00 ATOM 365 C GLU A 47 -2.047 6.715 2.496 1.00 0.00 ATOM 366 N SER A 48 -3.142 6.055 2.862 1.00 0.00 ATOM 367 CA SER A 48 -4.063 6.611 3.850 1.00 0.00 ATOM 368 CB SER A 48 -5.396 5.861 3.822 1.00 0.00 ATOM 369 OG SER A 48 -5.237 4.521 4.255 1.00 0.00 ATOM 370 O SER A 48 -3.796 7.213 6.184 1.00 0.00 ATOM 371 C SER A 48 -3.455 6.486 5.247 1.00 0.00 ATOM 372 N GLU A 49 -2.534 5.540 5.379 1.00 0.00 ATOM 373 CA GLU A 49 -1.730 5.391 6.585 1.00 0.00 ATOM 374 CB GLU A 49 -1.040 4.025 6.604 1.00 0.00 ATOM 375 CG GLU A 49 -1.992 2.851 6.760 1.00 0.00 ATOM 376 CD GLU A 49 -1.281 1.513 6.711 1.00 0.00 ATOM 377 OE1 GLU A 49 -0.051 1.503 6.494 1.00 0.00 ATOM 378 OE2 GLU A 49 -1.953 0.476 6.890 1.00 0.00 ATOM 379 O GLU A 49 -0.382 6.981 7.800 1.00 0.00 ATOM 380 C GLU A 49 -0.633 6.442 6.719 1.00 0.00 ATOM 381 N ALA A 50 0.040 6.750 5.612 1.00 0.00 ATOM 382 CA ALA A 50 1.112 7.734 5.632 1.00 0.00 ATOM 383 CB ALA A 50 1.844 7.748 4.299 1.00 0.00 ATOM 384 O ALA A 50 1.087 9.915 6.663 1.00 0.00 ATOM 385 C ALA A 50 0.543 9.122 5.891 1.00 0.00 ATOM 386 N ARG A 51 -0.576 9.434 5.236 1.00 0.00 ATOM 387 CA ARG A 51 -1.274 10.701 5.456 1.00 0.00 ATOM 388 CB ARG A 51 -2.566 10.750 4.638 1.00 0.00 ATOM 389 CG ARG A 51 -2.348 10.883 3.140 1.00 0.00 ATOM 390 CD ARG A 51 -3.668 10.879 2.387 1.00 0.00 ATOM 391 NE ARG A 51 -3.474 10.956 0.941 1.00 0.00 ATOM 392 CZ ARG A 51 -4.461 10.913 0.051 1.00 0.00 ATOM 393 NH1 ARG A 51 -4.189 10.991 -1.244 1.00 0.00 ATOM 394 NH2 ARG A 51 -5.716 10.793 0.459 1.00 0.00 ATOM 395 O ARG A 51 -1.435 11.939 7.534 1.00 0.00 ATOM 396 C ARG A 51 -1.638 10.881 6.932 1.00 0.00 ATOM 397 N GLU A 52 -2.190 9.821 7.526 1.00 0.00 ATOM 398 CA GLU A 52 -2.544 9.794 8.950 1.00 0.00 ATOM 399 CB GLU A 52 -3.138 8.436 9.329 1.00 0.00 ATOM 400 CG GLU A 52 -3.593 8.339 10.776 1.00 0.00 ATOM 401 CD GLU A 52 -4.228 7.001 11.099 1.00 0.00 ATOM 402 OE1 GLU A 52 -4.330 6.156 10.185 1.00 0.00 ATOM 403 OE2 GLU A 52 -4.624 6.798 12.266 1.00 0.00 ATOM 404 O GLU A 52 -1.400 10.725 10.872 1.00 0.00 ATOM 405 C GLU A 52 -1.327 10.035 9.851 1.00 0.00 ATOM 406 N LEU A 53 -0.187 9.461 9.473 1.00 0.00 ATOM 407 CA LEU A 53 1.032 9.570 10.266 1.00 0.00 ATOM 408 CB LEU A 53 1.944 8.367 10.015 1.00 0.00 ATOM 409 CG LEU A 53 1.389 7.000 10.420 1.00 0.00 ATOM 410 CD1 LEU A 53 2.351 5.890 10.025 1.00 0.00 ATOM 411 CD2 LEU A 53 1.175 6.931 11.925 1.00 0.00 ATOM 412 O LEU A 53 2.836 11.120 10.688 1.00 0.00 ATOM 413 C LEU A 53 1.877 10.814 9.975 1.00 0.00 ATOM 414 N ALA A 54 1.532 11.553 8.917 1.00 0.00 ATOM 415 CA ALA A 54 2.334 12.679 8.456 1.00 0.00 ATOM 416 CB ALA A 54 2.322 12.752 6.937 1.00 0.00 ATOM 417 O ALA A 54 0.603 14.350 8.793 1.00 0.00 ATOM 418 C ALA A 54 1.765 14.004 9.021 1.00 0.00 ATOM 419 N PRO A 55 2.583 14.765 9.769 1.00 0.00 ATOM 420 CA PRO A 55 2.110 16.073 10.248 1.00 0.00 ATOM 421 CB PRO A 55 3.223 16.549 11.183 1.00 0.00 ATOM 422 CG PRO A 55 4.457 15.895 10.659 1.00 0.00 ATOM 423 CD PRO A 55 4.033 14.541 10.163 1.00 0.00 ATOM 424 O PRO A 55 2.374 16.942 8.009 1.00 0.00 ATOM 425 C PRO A 55 1.884 17.090 9.132 1.00 0.00 ATOM 426 N GLU A 56 1.134 18.139 9.433 1.00 0.00 ATOM 427 CA GLU A 56 0.693 19.074 8.408 1.00 0.00 ATOM 428 CB GLU A 56 -0.325 20.060 8.984 1.00 0.00 ATOM 429 CG GLU A 56 -1.670 19.438 9.321 1.00 0.00 ATOM 430 CD GLU A 56 -2.602 20.408 10.020 1.00 0.00 ATOM 431 OE1 GLU A 56 -2.172 21.545 10.304 1.00 0.00 ATOM 432 OE2 GLU A 56 -3.764 20.030 10.283 1.00 0.00 ATOM 433 O GLU A 56 1.971 20.035 6.601 1.00 0.00 ATOM 434 C GLU A 56 1.835 19.901 7.820 1.00 0.00 ATOM 435 N GLU A 57 2.674 20.468 8.679 1.00 0.00 ATOM 436 CA GLU A 57 3.757 21.322 8.209 1.00 0.00 ATOM 437 CB GLU A 57 4.533 21.903 9.392 1.00 0.00 ATOM 438 CG GLU A 57 3.767 22.952 10.182 1.00 0.00 ATOM 439 CD GLU A 57 4.529 23.436 11.400 1.00 0.00 ATOM 440 OE1 GLU A 57 5.626 22.901 11.666 1.00 0.00 ATOM 441 OE2 GLU A 57 4.029 24.350 12.089 1.00 0.00 ATOM 442 O GLU A 57 5.378 21.148 6.426 1.00 0.00 ATOM 443 C GLU A 57 4.763 20.579 7.332 1.00 0.00 ATOM 444 N GLU A 58 4.940 19.290 7.594 1.00 0.00 ATOM 445 CA GLU A 58 5.829 18.479 6.784 1.00 0.00 ATOM 446 CB GLU A 58 6.137 17.156 7.488 1.00 0.00 ATOM 447 CG GLU A 58 7.116 16.267 6.738 1.00 0.00 ATOM 448 CD GLU A 58 7.442 14.993 7.492 1.00 0.00 ATOM 449 OE1 GLU A 58 6.909 14.809 8.606 1.00 0.00 ATOM 450 OE2 GLU A 58 8.231 14.178 6.968 1.00 0.00 ATOM 451 O GLU A 58 5.809 18.176 4.393 1.00 0.00 ATOM 452 C GLU A 58 5.168 18.186 5.448 1.00 0.00 ATOM 453 N VAL A 59 3.865 17.941 5.477 1.00 0.00 ATOM 454 CA VAL A 59 3.166 17.545 4.266 1.00 0.00 ATOM 455 CB VAL A 59 1.775 16.964 4.582 1.00 0.00 ATOM 456 CG1 VAL A 59 0.991 16.734 3.299 1.00 0.00 ATOM 457 CG2 VAL A 59 1.906 15.635 5.310 1.00 0.00 ATOM 458 O VAL A 59 3.215 18.744 2.184 1.00 0.00 ATOM 459 C VAL A 59 3.009 18.770 3.400 1.00 0.00 ATOM 460 N LYS A 60 2.635 19.879 4.030 1.00 0.00 ATOM 461 CA LYS A 60 2.451 21.120 3.304 1.00 0.00 ATOM 462 CB LYS A 60 1.928 22.214 4.237 1.00 0.00 ATOM 463 CG LYS A 60 1.667 23.544 3.549 1.00 0.00 ATOM 464 CD LYS A 60 1.084 24.561 4.516 1.00 0.00 ATOM 465 CE LYS A 60 0.868 25.905 3.840 1.00 0.00 ATOM 466 NZ LYS A 60 0.320 26.919 4.783 1.00 0.00 ATOM 467 O LYS A 60 3.885 21.843 1.499 1.00 0.00 ATOM 468 C LYS A 60 3.773 21.592 2.702 1.00 0.00 ATOM 469 N LEU A 61 4.795 21.719 3.538 1.00 0.00 ATOM 470 CA LEU A 61 6.099 22.169 3.054 1.00 0.00 ATOM 471 CB LEU A 61 7.093 22.274 4.212 1.00 0.00 ATOM 472 CG LEU A 61 6.841 23.395 5.223 1.00 0.00 ATOM 473 CD1 LEU A 61 7.786 23.273 6.408 1.00 0.00 ATOM 474 CD2 LEU A 61 7.057 24.757 4.580 1.00 0.00 ATOM 475 O LEU A 61 7.187 21.557 0.985 1.00 0.00 ATOM 476 C LEU A 61 6.648 21.184 2.031 1.00 0.00 ATOM 477 N GLU A 62 6.513 19.910 2.331 1.00 0.00 ATOM 478 CA GLU A 62 6.970 18.856 1.441 1.00 0.00 ATOM 479 CB GLU A 62 6.907 17.498 2.142 1.00 0.00 ATOM 480 CG GLU A 62 7.488 16.352 1.330 1.00 0.00 ATOM 481 CD GLU A 62 7.432 15.028 2.067 1.00 0.00 ATOM 482 OE1 GLU A 62 6.994 15.017 3.236 1.00 0.00 ATOM 483 OE2 GLU A 62 7.826 14.002 1.474 1.00 0.00 ATOM 484 O GLU A 62 4.869 18.580 0.275 1.00 0.00 ATOM 485 C GLU A 62 6.079 18.807 0.186 1.00 0.00 ATOM 486 N HIS A 63 6.642 19.012 -0.982 1.00 0.00 ATOM 487 CA HIS A 63 5.924 18.943 -2.247 1.00 0.00 ATOM 488 CB HIS A 63 6.035 20.271 -2.999 1.00 0.00 ATOM 489 CG HIS A 63 5.361 21.415 -2.308 1.00 0.00 ATOM 490 CD2 HIS A 63 4.063 22.067 -2.403 1.00 0.00 ATOM 491 ND1 HIS A 63 5.970 22.145 -1.311 1.00 0.00 ATOM 492 CE1 HIS A 63 5.123 23.100 -0.887 1.00 0.00 ATOM 493 NE2 HIS A 63 3.977 23.058 -1.538 1.00 0.00 ATOM 494 O HIS A 63 7.748 17.679 -3.129 1.00 0.00 ATOM 495 C HIS A 63 6.525 17.836 -3.095 1.00 0.00 ATOM 496 N HIS A 64 5.733 17.040 -3.799 1.00 0.00 ATOM 497 CA HIS A 64 6.313 16.031 -4.701 1.00 0.00 ATOM 498 CB HIS A 64 5.851 14.628 -4.303 1.00 0.00 ATOM 499 CG HIS A 64 6.255 14.229 -2.918 1.00 0.00 ATOM 500 CD2 HIS A 64 5.584 14.127 -1.630 1.00 0.00 ATOM 501 ND1 HIS A 64 7.535 13.832 -2.601 1.00 0.00 ATOM 502 CE1 HIS A 64 7.591 13.538 -1.290 1.00 0.00 ATOM 503 NE2 HIS A 64 6.424 13.713 -0.701 1.00 0.00 ATOM 504 O HIS A 64 4.899 17.154 -6.296 1.00 0.00 ATOM 505 C HIS A 64 5.831 16.366 -6.115 1.00 0.00 ATOM 506 N HIS A 65 6.443 15.784 -7.141 1.00 0.00 ATOM 507 CA HIS A 65 6.061 16.214 -8.495 1.00 0.00 ATOM 508 CB HIS A 65 6.916 17.402 -8.941 1.00 0.00 ATOM 509 CG HIS A 65 6.526 17.960 -10.275 1.00 0.00 ATOM 510 CD2 HIS A 65 7.091 17.933 -11.616 1.00 0.00 ATOM 511 ND1 HIS A 65 5.384 18.707 -10.464 1.00 0.00 ATOM 512 CE1 HIS A 65 5.305 19.064 -11.759 1.00 0.00 ATOM 513 NE2 HIS A 65 6.325 18.603 -12.455 1.00 0.00 ATOM 514 O HIS A 65 7.234 14.380 -9.520 1.00 0.00 ATOM 515 C HIS A 65 6.243 15.115 -9.509 1.00 0.00 ATOM 516 N HIS A 66 5.209 14.990 -10.432 1.00 0.00 ATOM 517 CA HIS A 66 5.355 13.961 -11.452 1.00 0.00 ATOM 518 CB HIS A 66 4.820 12.621 -10.942 1.00 0.00 ATOM 519 CG HIS A 66 3.347 12.623 -10.671 1.00 0.00 ATOM 520 CD2 HIS A 66 2.157 12.206 -11.398 1.00 0.00 ATOM 521 ND1 HIS A 66 2.807 13.099 -9.496 1.00 0.00 ATOM 522 CE1 HIS A 66 1.470 12.970 -9.545 1.00 0.00 ATOM 523 NE2 HIS A 66 1.073 12.435 -10.683 1.00 0.00 ATOM 524 O HIS A 66 3.833 15.397 -12.640 1.00 0.00 ATOM 525 C HIS A 66 4.561 14.402 -12.677 1.00 0.00 ATOM 526 N HIS A 67 4.676 13.697 -13.758 1.00 0.00 ATOM 527 CA HIS A 67 3.930 13.961 -14.983 1.00 0.00 ATOM 528 CB HIS A 67 4.787 14.754 -15.972 1.00 0.00 ATOM 529 CG HIS A 67 5.990 14.009 -16.462 1.00 0.00 ATOM 530 CD2 HIS A 67 6.288 13.151 -17.600 1.00 0.00 ATOM 531 ND1 HIS A 67 7.197 14.026 -15.798 1.00 0.00 ATOM 532 CE1 HIS A 67 8.079 13.269 -16.474 1.00 0.00 ATOM 533 NE2 HIS A 67 7.541 12.741 -17.556 1.00 0.00 ATOM 534 O HIS A 67 3.793 11.561 -15.175 1.00 0.00 ATOM 535 C HIS A 67 3.508 12.661 -15.656 1.00 0.00 ATOM 536 N HIS A 68 2.817 12.770 -16.789 1.00 0.00 ATOM 537 CA HIS A 68 2.363 11.590 -17.517 1.00 0.00 ATOM 538 CB HIS A 68 1.437 10.743 -16.641 1.00 0.00 ATOM 539 CG HIS A 68 0.957 9.491 -17.305 1.00 0.00 ATOM 540 CD2 HIS A 68 -0.311 9.023 -17.847 1.00 0.00 ATOM 541 ND1 HIS A 68 1.779 8.411 -17.542 1.00 0.00 ATOM 542 CE1 HIS A 68 1.068 7.443 -18.147 1.00 0.00 ATOM 543 NE2 HIS A 68 -0.187 7.803 -18.333 1.00 0.00 ATOM 544 O HIS A 68 2.171 12.144 -19.855 1.00 0.00 ATOM 545 C HIS A 68 1.598 11.984 -18.774 1.00 0.00 ENDMDL