EXPDTA T0348TS239_5-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348TS239_5-scwrl ATOM 1 N MET A 1 -1.600 -7.024 -6.753 1.00 0.00 ATOM 2 CA MET A 1 -1.254 -6.729 -5.334 1.00 0.00 ATOM 3 CB MET A 1 -0.204 -7.717 -4.822 1.00 0.00 ATOM 4 CG MET A 1 -0.719 -9.137 -4.653 1.00 0.00 ATOM 5 SD MET A 1 -2.061 -9.253 -3.455 1.00 0.00 ATOM 6 CE MET A 1 -1.187 -8.901 -1.932 1.00 0.00 ATOM 7 O MET A 1 -0.966 -4.594 -4.285 1.00 0.00 ATOM 8 C MET A 1 -0.692 -5.310 -5.227 1.00 0.00 ATOM 9 N ASP A 2 0.096 -4.899 -6.184 1.00 0.00 ATOM 10 CA ASP A 2 0.675 -3.528 -6.131 1.00 0.00 ATOM 11 CB ASP A 2 2.198 -3.594 -6.003 1.00 0.00 ATOM 12 CG ASP A 2 2.646 -4.227 -4.700 1.00 0.00 ATOM 13 OD1 ASP A 2 2.149 -3.808 -3.634 1.00 0.00 ATOM 14 OD2 ASP A 2 3.494 -5.143 -4.745 1.00 0.00 ATOM 15 O ASP A 2 0.143 -3.348 -8.462 1.00 0.00 ATOM 16 C ASP A 2 0.321 -2.767 -7.409 1.00 0.00 ATOM 17 N ALA A 3 0.222 -1.469 -7.325 1.00 0.00 ATOM 18 CA ALA A 3 -0.114 -0.662 -8.532 1.00 0.00 ATOM 19 CB ALA A 3 -1.615 -0.430 -8.613 1.00 0.00 ATOM 20 O ALA A 3 0.158 1.593 -7.765 1.00 0.00 ATOM 21 C ALA A 3 0.600 0.688 -8.446 1.00 0.00 ATOM 22 N LYS A 4 1.704 0.830 -9.126 1.00 0.00 ATOM 23 CA LYS A 4 2.449 2.119 -9.077 1.00 0.00 ATOM 24 CB LYS A 4 3.956 1.870 -9.160 1.00 0.00 ATOM 25 CG LYS A 4 4.524 1.101 -7.978 1.00 0.00 ATOM 26 CD LYS A 4 6.037 0.982 -8.073 1.00 0.00 ATOM 27 CE LYS A 4 6.605 0.217 -6.889 1.00 0.00 ATOM 28 NZ LYS A 4 8.090 0.123 -6.950 1.00 0.00 ATOM 29 O LYS A 4 1.266 2.595 -11.107 1.00 0.00 ATOM 30 C LYS A 4 2.028 3.001 -10.253 1.00 0.00 ATOM 31 N PHE A 5 2.520 4.209 -10.302 1.00 0.00 ATOM 32 CA PHE A 5 2.152 5.122 -11.420 1.00 0.00 ATOM 33 CB PHE A 5 0.729 5.653 -11.232 1.00 0.00 ATOM 34 CG PHE A 5 0.535 6.428 -9.960 1.00 0.00 ATOM 35 CD1 PHE A 5 0.741 7.796 -9.928 1.00 0.00 ATOM 36 CD2 PHE A 5 0.145 5.789 -8.796 1.00 0.00 ATOM 37 CE1 PHE A 5 0.561 8.509 -8.758 1.00 0.00 ATOM 38 CE2 PHE A 5 -0.034 6.502 -7.626 1.00 0.00 ATOM 39 CZ PHE A 5 0.172 7.856 -7.604 1.00 0.00 ATOM 40 O PHE A 5 3.995 6.428 -10.616 1.00 0.00 ATOM 41 C PHE A 5 3.123 6.304 -11.454 1.00 0.00 ATOM 42 N LEU A 6 2.981 7.174 -12.417 1.00 0.00 ATOM 43 CA LEU A 6 3.896 8.347 -12.501 1.00 0.00 ATOM 44 CB LEU A 6 5.280 7.913 -12.987 1.00 0.00 ATOM 45 CG LEU A 6 6.337 9.014 -13.095 1.00 0.00 ATOM 46 CD1 LEU A 6 6.745 9.505 -11.714 1.00 0.00 ATOM 47 CD2 LEU A 6 7.580 8.499 -13.803 1.00 0.00 ATOM 48 O LEU A 6 3.287 9.148 -14.678 1.00 0.00 ATOM 49 C LEU A 6 3.321 9.370 -13.483 1.00 0.00 ATOM 50 N GLU A 7 2.870 10.492 -12.991 1.00 0.00 ATOM 51 CA GLU A 7 2.298 11.526 -13.897 1.00 0.00 ATOM 52 CB GLU A 7 0.788 11.651 -13.682 1.00 0.00 ATOM 53 CG GLU A 7 0.108 12.640 -14.615 1.00 0.00 ATOM 54 CD GLU A 7 -1.377 12.773 -14.340 1.00 0.00 ATOM 55 OE1 GLU A 7 -1.863 12.139 -13.380 1.00 0.00 ATOM 56 OE2 GLU A 7 -2.055 13.511 -15.086 1.00 0.00 ATOM 57 O GLU A 7 2.559 13.591 -12.708 1.00 0.00 ATOM 58 C GLU A 7 2.955 12.878 -13.608 1.00 0.00 ATOM 59 N ILE A 8 3.954 13.237 -14.367 1.00 0.00 ATOM 60 CA ILE A 8 4.632 14.544 -14.135 1.00 0.00 ATOM 61 CB ILE A 8 6.148 14.365 -13.929 1.00 0.00 ATOM 62 CG1 ILE A 8 6.761 13.613 -15.112 1.00 0.00 ATOM 63 CG2 ILE A 8 6.423 13.573 -12.660 1.00 0.00 ATOM 64 CD1 ILE A 8 8.274 13.643 -15.136 1.00 0.00 ATOM 65 O ILE A 8 5.024 15.287 -16.380 1.00 0.00 ATOM 66 C ILE A 8 4.413 15.455 -15.343 1.00 0.00 ATOM 67 N LEU A 9 -6.701 7.737 -7.220 1.00 0.00 ATOM 68 CA LEU A 9 -8.008 7.024 -7.155 1.00 0.00 ATOM 69 CB LEU A 9 -9.142 7.941 -7.616 1.00 0.00 ATOM 70 CG LEU A 9 -10.547 7.335 -7.618 1.00 0.00 ATOM 71 CD1 LEU A 9 -10.956 6.923 -6.212 1.00 0.00 ATOM 72 CD2 LEU A 9 -11.566 8.338 -8.135 1.00 0.00 ATOM 73 O LEU A 9 -8.227 4.686 -7.635 1.00 0.00 ATOM 74 C LEU A 9 -7.967 5.792 -8.063 1.00 0.00 ATOM 75 N VAL A 10 -7.647 5.975 -9.315 1.00 0.00 ATOM 76 CA VAL A 10 -7.597 4.813 -10.248 1.00 0.00 ATOM 77 CB VAL A 10 -7.157 5.242 -11.660 1.00 0.00 ATOM 78 CG1 VAL A 10 -6.921 4.022 -12.538 1.00 0.00 ATOM 79 CG2 VAL A 10 -8.226 6.104 -12.313 1.00 0.00 ATOM 80 O VAL A 10 -6.890 2.597 -9.669 1.00 0.00 ATOM 81 C VAL A 10 -6.600 3.775 -9.728 1.00 0.00 ATOM 82 N CYS A 11 -5.424 4.201 -9.355 1.00 0.00 ATOM 83 CA CYS A 11 -4.410 3.236 -8.845 1.00 0.00 ATOM 84 CB CYS A 11 -3.107 3.960 -8.500 1.00 0.00 ATOM 85 SG CYS A 11 -2.222 4.627 -9.928 1.00 0.00 ATOM 86 O CYS A 11 -4.660 1.389 -7.337 1.00 0.00 ATOM 87 C CYS A 11 -4.939 2.545 -7.585 1.00 0.00 ATOM 88 N PRO A 12 -5.698 3.243 -6.784 1.00 0.00 ATOM 89 CA PRO A 12 -6.237 2.620 -5.542 1.00 0.00 ATOM 90 CB PRO A 12 -6.508 3.810 -4.619 1.00 0.00 ATOM 91 CG PRO A 12 -5.730 4.933 -5.219 1.00 0.00 ATOM 92 CD PRO A 12 -5.692 4.670 -6.698 1.00 0.00 ATOM 93 O PRO A 12 -8.053 1.139 -5.039 1.00 0.00 ATOM 94 C PRO A 12 -7.514 1.844 -5.869 1.00 0.00 ATOM 95 N LEU A 13 -8.005 1.968 -7.072 1.00 0.00 ATOM 96 CA LEU A 13 -9.247 1.237 -7.448 1.00 0.00 ATOM 97 CB LEU A 13 -9.993 1.983 -8.556 1.00 0.00 ATOM 98 CG LEU A 13 -11.311 1.361 -9.023 1.00 0.00 ATOM 99 CD1 LEU A 13 -12.317 1.314 -7.884 1.00 0.00 ATOM 100 CD2 LEU A 13 -11.915 2.173 -10.159 1.00 0.00 ATOM 101 O LEU A 13 -9.584 -1.121 -7.701 1.00 0.00 ATOM 102 C LEU A 13 -8.882 -0.162 -7.949 1.00 0.00 ATOM 103 N CYS A 14 -7.790 -0.285 -8.652 1.00 0.00 ATOM 104 CA CYS A 14 -7.381 -1.622 -9.166 1.00 0.00 ATOM 105 CB CYS A 14 -6.568 -1.475 -10.454 1.00 0.00 ATOM 106 SG CYS A 14 -4.945 -0.712 -10.230 1.00 0.00 ATOM 107 O CYS A 14 -6.492 -3.543 -8.042 1.00 0.00 ATOM 108 C CYS A 14 -6.525 -2.331 -8.117 1.00 0.00 ATOM 109 N LYS A 15 -5.831 -1.582 -7.304 1.00 0.00 ATOM 110 CA LYS A 15 -4.976 -2.210 -6.259 1.00 0.00 ATOM 111 CB LYS A 15 -4.502 -1.160 -5.252 1.00 0.00 ATOM 112 CG LYS A 15 -3.564 -1.701 -4.186 1.00 0.00 ATOM 113 CD LYS A 15 -3.066 -0.592 -3.274 1.00 0.00 ATOM 114 CE LYS A 15 -2.143 -1.137 -2.195 1.00 0.00 ATOM 115 NZ LYS A 15 -1.634 -0.058 -1.304 1.00 0.00 ATOM 116 O LYS A 15 -6.479 -3.000 -4.566 1.00 0.00 ATOM 117 C LYS A 15 -5.779 -3.282 -5.518 1.00 0.00 ATOM 118 N GLY 16 -5.682 -4.511 -5.946 1.00 0.00 ATOM 119 CA GLY 16 -6.438 -5.598 -5.264 1.00 0.00 ATOM 120 C LYS 22 -8.063 -7.162 -9.089 1.00 0.00 ATOM 121 N SER A 23 -8.528 -7.506 -10.275 1.00 0.00 ATOM 122 CA SER A 23 -7.819 -8.446 -11.188 1.00 0.00 ATOM 123 CB SER A 23 -8.521 -9.805 -11.208 1.00 0.00 ATOM 124 OG SER A 23 -9.830 -9.696 -11.740 1.00 0.00 ATOM 125 O SER A 23 -8.561 -6.977 -12.930 1.00 0.00 ATOM 126 C SER A 23 -7.808 -7.873 -12.607 1.00 0.00 ATOM 127 N LYS A 24 -6.961 -8.387 -13.457 1.00 0.00 ATOM 128 CA LYS A 24 -6.904 -7.872 -14.855 1.00 0.00 ATOM 129 CB LYS A 24 -5.916 -8.691 -15.688 1.00 0.00 ATOM 130 CG LYS A 24 -5.760 -8.206 -17.120 1.00 0.00 ATOM 131 CD LYS A 24 -4.710 -9.014 -17.865 1.00 0.00 ATOM 132 CE LYS A 24 -4.574 -8.548 -19.305 1.00 0.00 ATOM 133 NZ LYS A 24 -3.558 -9.340 -20.052 1.00 0.00 ATOM 134 O LYS A 24 -8.706 -7.110 -16.237 1.00 0.00 ATOM 135 C LYS A 24 -8.292 -7.971 -15.488 1.00 0.00 ATOM 136 N ASP A 25 -9.015 -9.016 -15.191 1.00 0.00 ATOM 137 CA ASP A 25 -10.376 -9.169 -15.775 1.00 0.00 ATOM 138 CB ASP A 25 -11.064 -10.413 -15.211 1.00 0.00 ATOM 139 CG ASP A 25 -10.484 -11.701 -15.762 1.00 0.00 ATOM 140 OD1 ASP A 25 -9.718 -11.633 -16.746 1.00 0.00 ATOM 141 OD2 ASP A 25 -10.797 -12.777 -15.211 1.00 0.00 ATOM 142 O ASP A 25 -12.066 -7.521 -16.193 1.00 0.00 ATOM 143 C ASP A 25 -11.214 -7.937 -15.433 1.00 0.00 ATOM 144 N GLU A 26 -10.979 -7.348 -14.293 1.00 0.00 ATOM 145 CA GLU A 26 -11.760 -6.142 -13.900 1.00 0.00 ATOM 146 CB GLU A 26 -11.771 -5.983 -12.378 1.00 0.00 ATOM 147 CG GLU A 26 -12.554 -7.061 -11.647 1.00 0.00 ATOM 148 CD GLU A 26 -14.013 -7.102 -12.059 1.00 0.00 ATOM 149 OE1 GLU A 26 -14.670 -6.040 -12.023 1.00 0.00 ATOM 150 OE2 GLU A 26 -14.499 -8.196 -12.416 1.00 0.00 ATOM 151 O GLU A 26 -11.809 -4.032 -15.036 1.00 0.00 ATOM 152 C GLU A 26 -11.126 -4.897 -14.525 1.00 0.00 ATOM 153 N LEU A 27 -9.825 -4.801 -14.494 1.00 0.00 ATOM 154 CA LEU A 27 -9.153 -3.614 -15.094 1.00 0.00 ATOM 155 CB LEU A 27 -7.635 -3.717 -14.929 1.00 0.00 ATOM 156 CG LEU A 27 -6.813 -2.550 -15.479 1.00 0.00 ATOM 157 CD1 LEU A 27 -7.142 -1.263 -14.738 1.00 0.00 ATOM 158 CD2 LEU A 27 -5.324 -2.821 -15.323 1.00 0.00 ATOM 159 O LEU A 27 -9.566 -2.481 -17.167 1.00 0.00 ATOM 160 C LEU A 27 -9.491 -3.546 -16.584 1.00 0.00 ATOM 161 N ILE A 28 -15.009 6.789 -13.237 1.00 0.00 ATOM 162 CA ILE A 28 -14.334 7.815 -12.393 1.00 0.00 ATOM 163 CB ILE A 28 -12.821 7.873 -12.676 1.00 0.00 ATOM 164 CG1 ILE A 28 -12.155 6.552 -12.287 1.00 0.00 ATOM 165 CG2 ILE A 28 -12.172 8.993 -11.879 1.00 0.00 ATOM 166 CD1 ILE A 28 -12.282 6.213 -10.818 1.00 0.00 ATOM 167 O ILE A 28 -15.121 10.000 -11.795 1.00 0.00 ATOM 168 C ILE A 28 -14.934 9.193 -12.685 1.00 0.00 ATOM 169 N CYS A 29 -15.233 9.471 -13.924 1.00 0.00 ATOM 170 CA CYS A 29 -15.818 10.797 -14.270 1.00 0.00 ATOM 171 CB CYS A 29 -16.212 10.840 -15.748 1.00 0.00 ATOM 172 SG CYS A 29 -17.477 9.636 -16.218 1.00 0.00 ATOM 173 O CYS A 29 -17.378 12.170 -13.075 1.00 0.00 ATOM 174 C CYS A 29 -17.064 11.047 -13.418 1.00 0.00 ATOM 175 N LYS A 30 -17.779 10.011 -13.074 1.00 0.00 ATOM 176 CA LYS A 30 -19.006 10.193 -12.247 1.00 0.00 ATOM 177 CB LYS A 30 -19.976 9.029 -12.464 1.00 0.00 ATOM 178 CG LYS A 30 -20.602 8.993 -13.848 1.00 0.00 ATOM 179 CD LYS A 30 -21.596 7.850 -13.974 1.00 0.00 ATOM 180 CE LYS A 30 -22.208 7.801 -15.365 1.00 0.00 ATOM 181 NZ LYS A 30 -23.173 6.677 -15.508 1.00 0.00 ATOM 182 O LYS A 30 -19.127 11.061 -10.015 1.00 0.00 ATOM 183 C LYS A 30 -18.623 10.250 -10.766 1.00 0.00 ATOM 184 N GLY A 31 -17.739 9.390 -10.337 1.00 0.00 ATOM 185 CA GLY A 31 -17.331 9.394 -8.904 1.00 0.00 ATOM 186 O GLY A 31 -16.587 11.130 -7.428 1.00 0.00 ATOM 187 C GLY A 31 -16.637 10.716 -8.569 1.00 0.00 ATOM 188 N ASP A 32 -16.098 11.382 -9.553 1.00 0.00 ATOM 189 CA ASP A 32 -15.406 12.674 -9.286 1.00 0.00 ATOM 190 CB ASP A 32 -14.166 12.811 -10.172 1.00 0.00 ATOM 191 CG ASP A 32 -13.038 11.895 -9.741 1.00 0.00 ATOM 192 OD1 ASP A 32 -13.105 11.359 -8.615 1.00 0.00 ATOM 193 OD2 ASP A 32 -12.085 11.715 -10.528 1.00 0.00 ATOM 194 O ASP A 32 -16.372 14.832 -8.889 1.00 0.00 ATOM 195 C ASP A 32 -16.359 13.834 -9.582 1.00 0.00 ATOM 196 N ARG A 33 -17.157 13.712 -10.608 1.00 0.00 ATOM 197 CA ARG A 33 -18.107 14.808 -10.946 1.00 0.00 ATOM 198 CB ARG A 33 -18.940 15.192 -9.721 1.00 0.00 ATOM 199 CG ARG A 33 -19.888 14.102 -9.248 1.00 0.00 ATOM 200 CD ARG A 33 -20.679 14.549 -8.030 1.00 0.00 ATOM 201 NE ARG A 33 -21.551 13.490 -7.526 1.00 0.00 ATOM 202 CZ ARG A 33 -22.308 13.601 -6.439 1.00 0.00 ATOM 203 NH1 ARG A 33 -23.070 12.585 -6.056 1.00 0.00 ATOM 204 NH2 ARG A 33 -22.302 14.726 -5.738 1.00 0.00 ATOM 205 O ARG A 33 -17.205 17.018 -10.715 1.00 0.00 ATOM 206 C ARG A 33 -17.322 16.035 -11.419 1.00 0.00 ATOM 207 N LEU 34 -16.784 15.984 -12.607 1.00 0.00 ATOM 208 CA LEU 34 -16.008 17.146 -13.122 1.00 0.00 ATOM 209 C PHE 36 -16.308 18.731 -17.316 1.00 0.00 ATOM 210 N PRO A 37 -16.978 18.919 -18.390 1.00 0.00 ATOM 211 CA PRO A 37 -16.429 18.383 -19.669 1.00 0.00 ATOM 212 CB PRO A 37 -17.607 18.466 -20.641 1.00 0.00 ATOM 213 CG PRO A 37 -18.385 19.655 -20.185 1.00 0.00 ATOM 214 CD PRO A 37 -18.314 19.648 -18.684 1.00 0.00 ATOM 215 O PRO A 37 -14.837 19.084 -21.321 1.00 0.00 ATOM 216 C PRO A 37 -15.240 19.202 -20.180 1.00 0.00 ATOM 217 N ILE A 38 -14.671 20.029 -19.346 1.00 0.00 ATOM 218 CA ILE A 38 -13.510 20.851 -19.790 1.00 0.00 ATOM 219 CB ILE A 38 -13.646 22.315 -19.331 1.00 0.00 ATOM 220 CG1 ILE A 38 -13.691 22.392 -17.803 1.00 0.00 ATOM 221 CG2 ILE A 38 -14.923 22.929 -19.882 1.00 0.00 ATOM 222 CD1 ILE A 38 -13.562 23.798 -17.259 1.00 0.00 ATOM 223 O ILE A 38 -11.198 20.926 -19.162 1.00 0.00 ATOM 224 C ILE A 38 -12.222 20.274 -19.197 1.00 0.00 ATOM 225 N LYS A 39 -12.266 19.056 -18.730 1.00 0.00 ATOM 226 CA LYS A 39 -11.046 18.439 -18.140 1.00 0.00 ATOM 227 CB LYS A 39 -10.951 18.761 -16.647 1.00 0.00 ATOM 228 CG LYS A 39 -12.090 18.192 -15.816 1.00 0.00 ATOM 229 CD LYS A 39 -11.867 18.437 -14.333 1.00 0.00 ATOM 230 CE LYS A 39 -12.078 19.899 -13.976 1.00 0.00 ATOM 231 NZ LYS A 39 -12.039 20.123 -12.505 1.00 0.00 ATOM 232 O LYS A 39 -10.411 16.179 -17.653 1.00 0.00 ATOM 233 C LYS A 39 -11.106 16.921 -18.319 1.00 0.00 ATOM 234 N ASP A 40 -11.930 16.453 -19.215 1.00 0.00 ATOM 235 CA ASP A 40 -12.035 14.982 -19.438 1.00 0.00 ATOM 236 CB ASP A 40 -13.018 14.681 -20.571 1.00 0.00 ATOM 237 CG ASP A 40 -14.461 14.908 -20.166 1.00 0.00 ATOM 238 OD1 ASP A 40 -14.716 15.100 -18.959 1.00 0.00 ATOM 239 OD2 ASP A 40 -15.337 14.895 -21.056 1.00 0.00 ATOM 240 O ASP A 40 -10.440 13.228 -19.791 1.00 0.00 ATOM 241 C ASP A 40 -10.661 14.423 -19.811 1.00 0.00 ATOM 242 N GLY A 41 -9.734 15.277 -20.148 1.00 0.00 ATOM 243 CA GLY A 41 -8.375 14.793 -20.520 1.00 0.00 ATOM 244 O GLY A 41 -7.050 12.976 -19.688 1.00 0.00 ATOM 245 C GLY A 41 -7.855 13.850 -19.433 1.00 0.00 ATOM 246 N ILE A 42 -8.308 14.020 -18.221 1.00 0.00 ATOM 247 CA ILE A 42 -7.839 13.134 -17.119 1.00 0.00 ATOM 248 CB ILE A 42 -8.132 13.748 -15.738 1.00 0.00 ATOM 249 CG1 ILE A 42 -7.388 15.075 -15.575 1.00 0.00 ATOM 250 CG2 ILE A 42 -7.685 12.806 -14.630 1.00 0.00 ATOM 251 CD1 ILE A 42 -7.784 15.850 -14.337 1.00 0.00 ATOM 252 O ILE A 42 -7.986 10.798 -17.637 1.00 0.00 ATOM 253 C ILE A 42 -8.553 11.784 -17.209 1.00 0.00 ATOM 254 N PRO A 43 -9.795 11.731 -16.810 1.00 0.00 ATOM 255 CA PRO A 43 -10.543 10.444 -16.874 1.00 0.00 ATOM 256 CB PRO A 43 -12.011 10.871 -16.929 1.00 0.00 ATOM 257 CG PRO A 43 -12.053 12.162 -16.181 1.00 0.00 ATOM 258 CD PRO A 43 -10.790 12.893 -16.542 1.00 0.00 ATOM 259 O PRO A 43 -10.082 8.456 -18.131 1.00 0.00 ATOM 260 C PRO A 43 -10.121 9.670 -18.124 1.00 0.00 ATOM 261 N MET A 44 -9.803 10.364 -19.183 1.00 0.00 ATOM 262 CA MET A 44 -9.384 9.668 -20.432 1.00 0.00 ATOM 263 CB MET A 44 -9.261 10.665 -21.586 1.00 0.00 ATOM 264 CG MET A 44 -10.589 11.234 -22.059 1.00 0.00 ATOM 265 SD MET A 44 -10.392 12.482 -23.345 1.00 0.00 ATOM 266 CE MET A 44 -9.873 11.467 -24.726 1.00 0.00 ATOM 267 O MET A 44 -7.873 7.807 -20.412 1.00 0.00 ATOM 268 C MET A 44 -8.028 8.995 -20.209 1.00 0.00 ATOM 269 N MET A 45 -7.045 9.744 -19.788 1.00 0.00 ATOM 270 CA MET A 45 -5.702 9.147 -19.550 1.00 0.00 ATOM 271 CB MET A 45 -4.721 10.213 -19.058 1.00 0.00 ATOM 272 CG MET A 45 -4.360 11.255 -20.104 1.00 0.00 ATOM 273 SD MET A 45 -3.567 10.537 -21.555 1.00 0.00 ATOM 274 CE MET A 45 -2.023 9.965 -20.850 1.00 0.00 ATOM 275 O MET A 45 -4.961 7.193 -18.375 1.00 0.00 ATOM 276 C MET A 45 -5.816 8.048 -18.492 1.00 0.00 ATOM 277 N LEU A 46 -6.866 8.067 -17.716 1.00 0.00 ATOM 278 CA LEU A 46 -7.037 7.026 -16.664 1.00 0.00 ATOM 279 CB LEU A 46 -8.154 7.421 -15.696 1.00 0.00 ATOM 280 CG LEU A 46 -7.868 8.613 -14.780 1.00 0.00 ATOM 281 CD1 LEU A 46 -9.107 8.986 -13.981 1.00 0.00 ATOM 282 CD2 LEU A 46 -6.752 8.282 -13.801 1.00 0.00 ATOM 283 O LEU A 46 -6.649 4.736 -17.253 1.00 0.00 ATOM 284 C LEU A 46 -7.397 5.691 -17.319 1.00 0.00 ATOM 285 N GLU A 47 -8.538 5.615 -17.949 1.00 0.00 ATOM 286 CA GLU A 47 -8.941 4.339 -18.606 1.00 0.00 ATOM 287 CB GLU A 47 -10.353 4.456 -19.183 1.00 0.00 ATOM 288 CG GLU A 47 -10.865 3.182 -19.834 1.00 0.00 ATOM 289 CD GLU A 47 -12.278 3.325 -20.364 1.00 0.00 ATOM 290 OE1 GLU A 47 -12.862 4.419 -20.210 1.00 0.00 ATOM 291 OE2 GLU A 47 -12.802 2.345 -20.934 1.00 0.00 ATOM 292 O GLU A 47 -7.505 2.904 -19.879 1.00 0.00 ATOM 293 C GLU A 47 -7.965 4.020 -19.740 1.00 0.00 ATOM 294 N SER A 48 -7.642 4.990 -20.552 1.00 0.00 ATOM 295 CA SER A 48 -6.692 4.735 -21.671 1.00 0.00 ATOM 296 CB SER A 48 -6.363 6.038 -22.402 1.00 0.00 ATOM 297 OG SER A 48 -7.510 6.565 -23.047 1.00 0.00 ATOM 298 O SER A 48 -4.778 3.291 -21.720 1.00 0.00 ATOM 299 C SER A 48 -5.401 4.137 -21.109 1.00 0.00 ATOM 300 N GLU A 49 -4.997 4.569 -19.947 1.00 0.00 ATOM 301 CA GLU A 49 -3.749 4.027 -19.341 1.00 0.00 ATOM 302 CB GLU A 49 -3.440 4.740 -18.023 1.00 0.00 ATOM 303 CG GLU A 49 -2.160 4.271 -17.349 1.00 0.00 ATOM 304 CD GLU A 49 -1.914 4.963 -16.023 1.00 0.00 ATOM 305 OE1 GLU A 49 -2.736 5.821 -15.638 1.00 0.00 ATOM 306 OE2 GLU A 49 -0.899 4.646 -15.367 1.00 0.00 ATOM 307 O GLU A 49 -3.169 1.711 -19.554 1.00 0.00 ATOM 308 C GLU A 49 -3.923 2.531 -19.069 1.00 0.00 ATOM 309 N ALA A 50 -4.910 2.170 -18.295 1.00 0.00 ATOM 310 CA ALA A 50 -5.129 0.727 -17.993 1.00 0.00 ATOM 311 CB ALA A 50 -6.461 0.530 -17.286 1.00 0.00 ATOM 312 O ALA A 50 -4.658 -1.188 -19.358 1.00 0.00 ATOM 313 C ALA A 50 -5.134 -0.071 -19.299 1.00 0.00 ATOM 314 N ARG A 51 -5.669 0.494 -20.347 1.00 0.00 ATOM 315 CA ARG A 51 -5.705 -0.229 -21.649 1.00 0.00 ATOM 316 CB ARG A 51 -6.448 0.598 -22.701 1.00 0.00 ATOM 317 CG ARG A 51 -7.948 0.690 -22.472 1.00 0.00 ATOM 318 CD ARG A 51 -8.610 1.583 -23.508 1.00 0.00 ATOM 319 NE ARG A 51 -10.049 1.704 -23.286 1.00 0.00 ATOM 320 CZ ARG A 51 -10.853 2.483 -24.004 1.00 0.00 ATOM 321 NH1 ARG A 51 -12.149 2.530 -23.729 1.00 0.00 ATOM 322 NH2 ARG A 51 -10.358 3.213 -24.994 1.00 0.00 ATOM 323 O ARG A 51 -3.973 -1.516 -22.691 1.00 0.00 ATOM 324 C ARG A 51 -4.276 -0.480 -22.133 1.00 0.00 ATOM 325 N GLU A 52 -3.394 0.459 -21.924 1.00 0.00 ATOM 326 CA GLU A 52 -1.987 0.272 -22.373 1.00 0.00 ATOM 327 CB GLU A 52 -1.201 1.577 -22.231 1.00 0.00 ATOM 328 CG GLU A 52 -1.614 2.660 -23.214 1.00 0.00 ATOM 329 CD GLU A 52 -0.902 3.976 -22.964 1.00 0.00 ATOM 330 OE1 GLU A 52 -0.141 4.061 -21.978 1.00 0.00 ATOM 331 OE2 GLU A 52 -1.107 4.921 -23.755 1.00 0.00 ATOM 332 O GLU A 52 -0.595 -1.648 -22.016 1.00 0.00 ATOM 333 C GLU A 52 -1.318 -0.807 -21.518 1.00 0.00 ATOM 334 N LEU A 53 -1.551 -0.790 -20.234 1.00 0.00 ATOM 335 CA LEU A 53 -0.926 -1.813 -19.350 1.00 0.00 ATOM 336 CB LEU A 53 -1.296 -1.556 -17.888 1.00 0.00 ATOM 337 CG LEU A 53 -0.683 -0.311 -17.243 1.00 0.00 ATOM 338 CD1 LEU A 53 -1.272 -0.077 -15.860 1.00 0.00 ATOM 339 CD2 LEU A 53 0.823 -0.467 -17.098 1.00 0.00 ATOM 340 O LEU A 53 -0.672 -4.161 -19.759 1.00 0.00 ATOM 341 C LEU A 53 -1.421 -3.205 -19.750 1.00 0.00 ATOM 342 N ALA A 54 -2.677 -3.326 -20.080 1.00 0.00 ATOM 343 CA ALA A 54 -3.217 -4.657 -20.478 1.00 0.00 ATOM 344 CB ALA A 54 -4.735 -4.609 -20.563 1.00 0.00 ATOM 345 O ALA A 54 -2.298 -6.187 -22.078 1.00 0.00 ATOM 346 C ALA A 54 -2.654 -5.049 -21.846 1.00 0.00 ATOM 347 N PRO A 55 -2.568 -4.114 -22.753 1.00 0.00 ATOM 348 CA PRO A 55 -2.026 -4.434 -24.103 1.00 0.00 ATOM 349 CB PRO A 55 -2.133 -3.113 -24.868 1.00 0.00 ATOM 350 CG PRO A 55 -3.298 -2.416 -24.247 1.00 0.00 ATOM 351 CD PRO A 55 -3.209 -2.689 -22.772 1.00 0.00 ATOM 352 O PRO A 55 -0.184 -5.901 -24.550 1.00 0.00 ATOM 353 C PRO A 55 -0.577 -4.908 -23.972 1.00 0.00 ATOM 354 N GLU A 56 0.219 -4.205 -23.213 1.00 0.00 ATOM 355 CA GLU A 56 1.642 -4.615 -23.047 1.00 0.00 ATOM 356 CB GLU A 56 2.462 -3.472 -22.446 1.00 0.00 ATOM 357 CG GLU A 56 2.594 -2.259 -23.353 1.00 0.00 ATOM 358 CD GLU A 56 3.394 -1.140 -22.717 1.00 0.00 ATOM 359 OE1 GLU A 56 3.888 -1.331 -21.586 1.00 0.00 ATOM 360 OE2 GLU A 56 3.527 -0.071 -23.349 1.00 0.00 ATOM 361 O GLU A 56 2.714 -6.517 -22.059 1.00 0.00 ATOM 362 C GLU A 56 1.717 -5.825 -22.114 1.00 0.00 ATOM 363 N GLU A 57 0.669 -6.089 -21.381 1.00 0.00 ATOM 364 CA GLU A 57 0.683 -7.255 -20.454 1.00 0.00 ATOM 365 CB GLU A 57 -0.400 -7.102 -19.384 1.00 0.00 ATOM 366 CG GLU A 57 -0.424 -8.225 -18.360 1.00 0.00 ATOM 367 CD GLU A 57 -1.456 -8.000 -17.273 1.00 0.00 ATOM 368 OE1 GLU A 57 -2.176 -6.982 -17.339 1.00 0.00 ATOM 369 OE2 GLU A 57 -1.546 -8.843 -16.355 1.00 0.00 ATOM 370 O GLU A 57 0.908 -9.598 -20.904 1.00 0.00 ATOM 371 C GLU A 57 0.422 -8.539 -21.245 1.00 0.00 ATOM 372 N GLU A 58 -0.347 -8.453 -22.297 1.00 0.00 ATOM 373 CA GLU A 58 -0.642 -9.669 -23.105 1.00 0.00 ATOM 374 CB GLU A 58 -2.064 -9.607 -23.666 1.00 0.00 ATOM 375 CG GLU A 58 -3.152 -9.634 -22.605 1.00 0.00 ATOM 376 CD GLU A 58 -4.546 -9.565 -23.198 1.00 0.00 ATOM 377 OE1 GLU A 58 -4.661 -9.520 -24.441 1.00 0.00 ATOM 378 OE2 GLU A 58 -5.522 -9.555 -22.419 1.00 0.00 ATOM 379 O GLU A 58 0.584 -10.822 -24.813 1.00 0.00 ATOM 380 C GLU A 58 0.348 -9.762 -24.269 1.00 0.00 ATOM 381 N VAL A 59 0.929 -8.659 -24.655 1.00 0.00 ATOM 382 CA VAL A 59 1.901 -8.684 -25.784 1.00 0.00 ATOM 383 CB VAL A 59 2.154 -7.271 -26.343 1.00 0.00 ATOM 384 CG1 VAL A 59 3.041 -6.476 -25.398 1.00 0.00 ATOM 385 CG2 VAL A 59 2.841 -7.349 -27.697 1.00 0.00 ATOM 386 O VAL A 59 4.060 -9.681 -26.080 1.00 0.00 ATOM 387 C VAL A 59 3.234 -9.258 -25.297 1.00 0.00 ATOM 388 N LYS A 60 3.451 -9.273 -24.010 1.00 0.00 ATOM 389 CA LYS A 60 4.731 -9.818 -23.477 1.00 0.00 ATOM 390 CB LYS A 60 4.887 -9.469 -21.996 1.00 0.00 ATOM 391 CG LYS A 60 5.060 -7.983 -21.723 1.00 0.00 ATOM 392 CD LYS A 60 5.282 -7.716 -20.243 1.00 0.00 ATOM 393 CE LYS A 60 5.434 -6.228 -19.968 1.00 0.00 ATOM 394 NZ LYS A 60 5.623 -5.949 -18.518 1.00 0.00 ATOM 395 O LYS A 60 5.499 -12.035 -22.984 1.00 0.00 ATOM 396 C LYS A 60 4.742 -11.341 -23.632 1.00 0.00 ATOM 397 N LEU A 61 4.347 -12.987 -30.221 1.00 0.00 ATOM 398 CA LEU A 61 5.349 -13.521 -31.186 1.00 0.00 ATOM 399 CB LEU A 61 5.408 -12.643 -32.438 1.00 0.00 ATOM 400 CG LEU A 61 4.164 -12.648 -33.328 1.00 0.00 ATOM 401 CD1 LEU A 61 4.305 -11.637 -34.455 1.00 0.00 ATOM 402 CD2 LEU A 61 3.950 -14.022 -33.946 1.00 0.00 ATOM 403 O LEU A 61 7.639 -14.205 -30.991 1.00 0.00 ATOM 404 C LEU A 61 6.731 -13.542 -30.529 1.00 0.00 ATOM 405 N GLU A 62 6.899 -12.821 -29.454 1.00 0.00 ATOM 406 CA GLU A 62 8.222 -12.802 -28.768 1.00 0.00 ATOM 407 CB GLU A 62 8.545 -14.181 -28.189 1.00 0.00 ATOM 408 CG GLU A 62 7.574 -14.647 -27.116 1.00 0.00 ATOM 409 CD GLU A 62 7.874 -16.050 -26.629 1.00 0.00 ATOM 410 OE1 GLU A 62 8.901 -16.620 -27.054 1.00 0.00 ATOM 411 OE2 GLU A 62 7.082 -16.581 -25.821 1.00 0.00 ATOM 412 O GLU A 62 9.170 -11.482 -30.531 1.00 0.00 ATOM 413 C GLU A 62 9.313 -12.417 -29.769 1.00 0.00 ATOM 414 N HIS A 63 10.405 -13.133 -29.771 1.00 0.00 ATOM 415 CA HIS A 63 11.506 -12.811 -30.722 1.00 0.00 ATOM 416 CB HIS A 63 12.731 -12.290 -29.967 1.00 0.00 ATOM 417 CG HIS A 63 12.482 -11.018 -29.218 1.00 0.00 ATOM 418 CD2 HIS A 63 12.224 -10.664 -27.830 1.00 0.00 ATOM 419 ND1 HIS A 63 12.456 -9.785 -29.833 1.00 0.00 ATOM 420 CE1 HIS A 63 12.213 -8.839 -28.908 1.00 0.00 ATOM 421 NE2 HIS A 63 12.072 -9.360 -27.704 1.00 0.00 ATOM 422 O HIS A 63 11.291 -15.118 -31.343 1.00 0.00 ATOM 423 C HIS A 63 11.897 -14.074 -31.494 1.00 0.00 ATOM 424 N HIS A 64 12.904 -13.990 -32.320 1.00 0.00 ATOM 425 CA HIS A 64 13.331 -15.186 -33.100 1.00 0.00 ATOM 426 CB HIS A 64 12.570 -15.261 -34.425 1.00 0.00 ATOM 427 CG HIS A 64 11.090 -15.420 -34.264 1.00 0.00 ATOM 428 CD2 HIS A 64 9.931 -14.551 -34.409 1.00 0.00 ATOM 429 ND1 HIS A 64 10.506 -16.611 -33.893 1.00 0.00 ATOM 430 CE1 HIS A 64 9.172 -16.444 -33.832 1.00 0.00 ATOM 431 NE2 HIS A 64 8.821 -15.211 -34.141 1.00 0.00 ATOM 432 O HIS A 64 15.505 -16.089 -33.556 1.00 0.00 ATOM 433 C HIS A 64 14.831 -15.092 -33.390 1.00 0.00 ATOM 434 N HIS A 65 15.358 -13.900 -33.450 1.00 0.00 ATOM 435 CA HIS A 65 16.814 -13.739 -33.726 1.00 0.00 ATOM 436 CB HIS A 65 17.038 -13.263 -35.163 1.00 0.00 ATOM 437 CG HIS A 65 16.528 -14.213 -36.201 1.00 0.00 ATOM 438 CD2 HIS A 65 15.309 -14.336 -36.988 1.00 0.00 ATOM 439 ND1 HIS A 65 17.257 -15.297 -36.640 1.00 0.00 ATOM 440 CE1 HIS A 65 16.542 -15.959 -37.567 1.00 0.00 ATOM 441 NE2 HIS A 65 15.373 -15.388 -37.781 1.00 0.00 ATOM 442 O HIS A 65 16.780 -11.709 -32.455 1.00 0.00 ATOM 443 C HIS A 65 17.400 -12.707 -32.761 1.00 0.00 ATOM 444 N HIS A 66 18.590 -12.939 -32.276 1.00 0.00 ATOM 445 CA HIS A 66 19.206 -11.967 -31.328 1.00 0.00 ATOM 446 CB HIS A 66 18.517 -12.039 -29.964 1.00 0.00 ATOM 447 CG HIS A 66 18.917 -10.943 -29.026 1.00 0.00 ATOM 448 CD2 HIS A 66 18.238 -9.829 -28.381 1.00 0.00 ATOM 449 ND1 HIS A 66 20.204 -10.800 -28.554 1.00 0.00 ATOM 450 CE1 HIS A 66 20.255 -9.733 -27.737 1.00 0.00 ATOM 451 NE2 HIS A 66 19.079 -9.145 -27.629 1.00 0.00 ATOM 452 O HIS A 66 21.132 -12.647 -30.075 1.00 0.00 ATOM 453 C HIS A 66 20.690 -12.291 -31.150 1.00 0.00 ATOM 454 N HIS A 67 21.466 -12.166 -32.191 1.00 0.00 ATOM 455 CA HIS A 67 22.921 -12.464 -32.073 1.00 0.00 ATOM 456 CB HIS A 67 23.700 -11.785 -33.201 1.00 0.00 ATOM 457 CG HIS A 67 25.150 -12.157 -33.243 1.00 0.00 ATOM 458 CD2 HIS A 67 25.965 -13.069 -34.033 1.00 0.00 ATOM 459 ND1 HIS A 67 26.086 -11.599 -32.401 1.00 0.00 ATOM 460 CE1 HIS A 67 27.292 -12.129 -32.675 1.00 0.00 ATOM 461 NE2 HIS A 67 27.227 -13.011 -33.653 1.00 0.00 ATOM 462 O HIS A 67 23.129 -10.844 -30.319 1.00 0.00 ATOM 463 C HIS A 67 23.436 -11.946 -30.728 1.00 0.00 ATOM 464 N HIS A 68 24.214 -12.732 -30.036 1.00 0.00 ATOM 465 CA HIS A 68 24.745 -12.281 -28.718 1.00 0.00 ATOM 466 CB HIS A 68 24.963 -13.478 -27.790 1.00 0.00 ATOM 467 CG HIS A 68 23.711 -14.241 -27.485 1.00 0.00 ATOM 468 CD2 HIS A 68 23.203 -15.569 -27.796 1.00 0.00 ATOM 469 ND1 HIS A 68 22.681 -13.712 -26.738 1.00 0.00 ATOM 470 CE1 HIS A 68 21.701 -14.628 -26.635 1.00 0.00 ATOM 471 NE2 HIS A 68 22.007 -15.744 -27.267 1.00 0.00 ATOM 472 O HIS A 68 26.520 -10.900 -27.997 1.00 0.00 ATOM 473 C HIS A 68 26.080 -11.563 -28.922 1.00 0.00 ENDMDL