EXPDTA T0348TS420_5-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348TS420_5-scwrl ATOM 1 N MET A 1 28.819 0.659 22.056 1.00 0.00 ATOM 2 CA MET A 1 28.977 0.570 20.647 1.00 0.00 ATOM 3 CB MET A 1 30.056 -0.456 20.292 1.00 0.00 ATOM 4 CG MET A 1 31.460 -0.048 20.707 1.00 0.00 ATOM 5 SD MET A 1 31.979 1.511 19.964 1.00 0.00 ATOM 6 CE MET A 1 32.137 1.032 18.246 1.00 0.00 ATOM 7 O MET A 1 27.315 -0.163 19.090 1.00 0.00 ATOM 8 C MET A 1 27.618 0.145 20.179 1.00 0.00 ATOM 9 N ASP A 2 26.564 0.077 20.915 1.00 0.00 ATOM 10 CA ASP A 2 25.300 -0.368 20.333 1.00 0.00 ATOM 11 CB ASP A 2 24.345 -0.847 21.428 1.00 0.00 ATOM 12 CG ASP A 2 23.056 -1.417 20.869 1.00 0.00 ATOM 13 OD1 ASP A 2 22.874 -1.374 19.634 1.00 0.00 ATOM 14 OD2 ASP A 2 22.228 -1.906 21.666 1.00 0.00 ATOM 15 O ASP A 2 24.634 1.874 20.119 1.00 0.00 ATOM 16 C ASP A 2 24.660 0.774 19.591 1.00 0.00 ATOM 17 N ALA A 3 24.162 0.539 18.362 1.00 0.00 ATOM 18 CA ALA A 3 23.480 1.468 17.513 1.00 0.00 ATOM 19 CB ALA A 3 22.690 0.728 16.444 1.00 0.00 ATOM 20 O ALA A 3 22.453 3.428 18.519 1.00 0.00 ATOM 21 C ALA A 3 22.548 2.264 18.413 1.00 0.00 ATOM 22 N LYS A 4 21.731 1.806 19.275 1.00 0.00 ATOM 23 CA LYS A 4 20.887 2.752 20.011 1.00 0.00 ATOM 24 CB LYS A 4 19.985 2.009 20.998 1.00 0.00 ATOM 25 CG LYS A 4 18.884 1.194 20.340 1.00 0.00 ATOM 26 CD LYS A 4 18.032 0.478 21.376 1.00 0.00 ATOM 27 CE LYS A 4 16.934 -0.341 20.718 1.00 0.00 ATOM 28 NZ LYS A 4 16.111 -1.073 21.719 1.00 0.00 ATOM 29 O LYS A 4 21.366 4.988 20.836 1.00 0.00 ATOM 30 C LYS A 4 21.659 3.807 20.846 1.00 0.00 ATOM 31 N PHE A 5 22.821 3.467 21.382 1.00 0.00 ATOM 32 CA PHE A 5 23.607 4.443 22.090 1.00 0.00 ATOM 33 CB PHE A 5 24.652 3.754 22.970 1.00 0.00 ATOM 34 CG PHE A 5 24.062 2.904 24.059 1.00 0.00 ATOM 35 CD1 PHE A 5 23.993 1.529 23.924 1.00 0.00 ATOM 36 CD2 PHE A 5 23.576 3.481 25.220 1.00 0.00 ATOM 37 CE1 PHE A 5 23.450 0.747 24.926 1.00 0.00 ATOM 38 CE2 PHE A 5 23.033 2.700 26.222 1.00 0.00 ATOM 39 CZ PHE A 5 22.969 1.338 26.079 1.00 0.00 ATOM 40 O PHE A 5 24.692 6.483 21.228 1.00 0.00 ATOM 41 C PHE A 5 24.299 5.319 21.050 1.00 0.00 ATOM 42 N LEU A 6 21.659 7.527 29.189 1.00 0.00 ATOM 43 CA LEU A 6 21.968 6.405 28.366 1.00 0.00 ATOM 44 CB LEU A 6 20.685 5.721 27.888 1.00 0.00 ATOM 45 CG LEU A 6 19.871 4.987 28.955 1.00 0.00 ATOM 46 CD1 LEU A 6 18.542 4.514 28.386 1.00 0.00 ATOM 47 CD2 LEU A 6 20.628 3.772 29.468 1.00 0.00 ATOM 48 O LEU A 6 23.661 6.251 26.743 1.00 0.00 ATOM 49 C LEU A 6 22.741 6.922 27.203 1.00 0.00 ATOM 50 N GLU A 7 22.397 8.128 26.706 1.00 0.00 ATOM 51 CA GLU A 7 23.039 8.665 25.548 1.00 0.00 ATOM 52 CB GLU A 7 22.329 9.938 25.084 1.00 0.00 ATOM 53 CG GLU A 7 20.951 9.699 24.489 1.00 0.00 ATOM 54 CD GLU A 7 20.241 10.988 24.125 1.00 0.00 ATOM 55 OE1 GLU A 7 20.801 12.071 24.396 1.00 0.00 ATOM 56 OE2 GLU A 7 19.125 10.916 23.570 1.00 0.00 ATOM 57 O GLU A 7 25.355 8.923 25.048 1.00 0.00 ATOM 58 C GLU A 7 24.458 8.990 25.880 1.00 0.00 ATOM 59 N ILE A 8 24.736 9.385 27.115 1.00 0.00 ATOM 60 CA ILE A 8 26.089 9.595 27.474 1.00 0.00 ATOM 61 CB ILE A 8 26.209 10.264 28.856 1.00 0.00 ATOM 62 CG1 ILE A 8 25.570 11.654 28.833 1.00 0.00 ATOM 63 CG2 ILE A 8 27.670 10.411 29.251 1.00 0.00 ATOM 64 CD1 ILE A 8 26.207 12.602 27.842 1.00 0.00 ATOM 65 O ILE A 8 27.916 8.213 27.076 1.00 0.00 ATOM 66 C ILE A 8 26.783 8.296 27.517 1.00 0.00 ATOM 67 N LEU A 9 26.149 7.234 28.020 1.00 0.00 ATOM 68 CA LEU A 9 26.867 6.010 28.208 1.00 0.00 ATOM 69 CB LEU A 9 26.014 5.002 28.981 1.00 0.00 ATOM 70 CG LEU A 9 25.689 5.361 30.432 1.00 0.00 ATOM 71 CD1 LEU A 9 24.742 4.338 31.040 1.00 0.00 ATOM 72 CD2 LEU A 9 26.956 5.394 31.274 1.00 0.00 ATOM 73 O LEU A 9 28.206 4.745 26.718 1.00 0.00 ATOM 74 C LEU A 9 27.206 5.450 26.852 1.00 0.00 ATOM 75 N VAL A 10 26.429 5.802 25.796 1.00 0.00 ATOM 76 CA VAL A 10 26.591 5.203 24.500 1.00 0.00 ATOM 77 CB VAL A 10 25.436 5.582 23.555 1.00 0.00 ATOM 78 CG1 VAL A 10 24.107 5.099 24.117 1.00 0.00 ATOM 79 CG2 VAL A 10 25.363 7.091 23.380 1.00 0.00 ATOM 80 O VAL A 10 28.341 5.119 22.926 1.00 0.00 ATOM 81 C VAL A 10 27.878 5.686 23.912 1.00 0.00 ATOM 82 N CYS A 11 28.477 6.749 24.486 1.00 0.00 ATOM 83 CA CYS A 11 29.482 7.462 23.805 1.00 0.00 ATOM 84 CB CYS A 11 29.684 8.840 24.438 1.00 0.00 ATOM 85 SG CYS A 11 28.247 9.932 24.324 1.00 0.00 ATOM 86 O CYS A 11 30.922 5.761 23.076 1.00 0.00 ATOM 87 C CYS A 11 30.813 6.694 23.868 1.00 0.00 ATOM 88 N PRO A 12 31.893 7.087 24.563 1.00 0.00 ATOM 89 CA PRO A 12 33.004 6.135 24.932 1.00 0.00 ATOM 90 CB PRO A 12 34.263 6.802 24.376 1.00 0.00 ATOM 91 CG PRO A 12 33.947 8.260 24.381 1.00 0.00 ATOM 92 CD PRO A 12 32.477 8.369 24.087 1.00 0.00 ATOM 93 O PRO A 12 33.443 4.445 26.522 1.00 0.00 ATOM 94 C PRO A 12 33.447 5.663 26.349 1.00 0.00 ATOM 95 N LEU A 13 33.885 6.517 27.337 1.00 0.00 ATOM 96 CA LEU A 13 35.074 6.545 28.220 1.00 0.00 ATOM 97 CB LEU A 13 36.324 6.922 27.423 1.00 0.00 ATOM 98 CG LEU A 13 37.641 6.954 28.202 1.00 0.00 ATOM 99 CD1 LEU A 13 37.987 5.569 28.729 1.00 0.00 ATOM 100 CD2 LEU A 13 38.781 7.422 27.312 1.00 0.00 ATOM 101 O LEU A 13 34.202 7.320 30.330 1.00 0.00 ATOM 102 C LEU A 13 34.942 7.575 29.384 1.00 0.00 ATOM 103 N CYS A 14 35.672 8.736 29.430 1.00 0.00 ATOM 104 CA CYS A 14 35.370 9.782 30.397 1.00 0.00 ATOM 105 CB CYS A 14 36.576 10.039 31.303 1.00 0.00 ATOM 106 SG CYS A 14 37.084 8.614 32.292 1.00 0.00 ATOM 107 O CYS A 14 34.263 11.847 30.190 1.00 0.00 ATOM 108 C CYS A 14 35.030 11.036 29.677 1.00 0.00 ATOM 109 N LYS 15 35.617 11.241 28.474 1.00 0.00 ATOM 110 CA LYS 15 35.452 12.501 27.809 1.00 0.00 ATOM 111 C PRO 17 23.849 14.877 25.547 1.00 0.00 ATOM 112 N LEU A 18 23.012 15.719 25.586 1.00 0.00 ATOM 113 CA LEU A 18 22.061 16.475 26.364 1.00 0.00 ATOM 114 CB LEU A 18 22.452 17.954 26.398 1.00 0.00 ATOM 115 CG LEU A 18 23.763 18.292 27.110 1.00 0.00 ATOM 116 CD1 LEU A 18 24.098 19.767 26.949 1.00 0.00 ATOM 117 CD2 LEU A 18 23.662 17.987 28.597 1.00 0.00 ATOM 118 O LEU A 18 20.657 16.013 24.548 1.00 0.00 ATOM 119 C LEU A 18 20.717 16.328 25.732 1.00 0.00 ATOM 120 N VAL A 19 19.626 16.578 26.499 1.00 0.00 ATOM 121 CA VAL A 19 18.272 16.279 26.074 1.00 0.00 ATOM 122 CB VAL A 19 17.711 15.044 26.803 1.00 0.00 ATOM 123 CG1 VAL A 19 18.532 13.808 26.466 1.00 0.00 ATOM 124 CG2 VAL A 19 17.751 15.251 28.309 1.00 0.00 ATOM 125 O VAL A 19 17.916 18.122 27.464 1.00 0.00 ATOM 126 C VAL A 19 17.556 17.543 26.450 1.00 0.00 ATOM 127 N PHE A 20 16.540 17.989 25.680 1.00 0.00 ATOM 128 CA PHE A 20 15.994 19.316 25.866 1.00 0.00 ATOM 129 CB PHE A 20 16.226 20.170 24.618 1.00 0.00 ATOM 130 CG PHE A 20 17.675 20.427 24.320 1.00 0.00 ATOM 131 CD1 PHE A 20 18.382 19.588 23.476 1.00 0.00 ATOM 132 CD2 PHE A 20 18.332 21.507 24.883 1.00 0.00 ATOM 133 CE1 PHE A 20 19.716 19.824 23.201 1.00 0.00 ATOM 134 CE2 PHE A 20 19.666 21.743 24.608 1.00 0.00 ATOM 135 CZ PHE A 20 20.357 20.907 23.771 1.00 0.00 ATOM 136 O PHE A 20 13.998 18.133 25.499 1.00 0.00 ATOM 137 C PHE A 20 14.557 19.051 26.105 1.00 0.00 ATOM 138 N ASP A 21 13.929 19.839 26.997 1.00 0.00 ATOM 139 CA ASP A 21 12.567 19.590 27.327 1.00 0.00 ATOM 140 CB ASP A 21 12.327 19.821 28.820 1.00 0.00 ATOM 141 CG ASP A 21 10.896 19.533 29.231 1.00 0.00 ATOM 142 OD1 ASP A 21 10.071 19.235 28.342 1.00 0.00 ATOM 143 OD2 ASP A 21 10.600 19.606 30.443 1.00 0.00 ATOM 144 O ASP A 21 11.557 21.636 26.890 1.00 0.00 ATOM 145 C ASP A 21 11.666 20.450 26.605 1.00 0.00 ATOM 146 N LYS A 22 10.929 19.740 25.743 1.00 0.00 ATOM 147 CA LYS A 22 10.092 20.039 24.623 1.00 0.00 ATOM 148 CB LYS A 22 8.885 19.100 24.590 1.00 0.00 ATOM 149 CG LYS A 22 9.235 17.649 24.304 1.00 0.00 ATOM 150 CD LYS A 22 7.991 16.776 24.272 1.00 0.00 ATOM 151 CE LYS A 22 8.343 15.322 24.005 1.00 0.00 ATOM 152 NZ LYS A 22 7.134 14.453 23.982 1.00 0.00 ATOM 153 O LYS A 22 9.210 21.815 23.359 1.00 0.00 ATOM 154 C LYS A 22 9.474 21.394 24.485 1.00 0.00 ATOM 155 N SER A 23 9.220 22.086 25.601 1.00 0.00 ATOM 156 CA SER A 23 8.699 23.413 25.598 1.00 0.00 ATOM 157 CB SER A 23 7.887 23.673 26.868 1.00 0.00 ATOM 158 OG SER A 23 8.714 23.638 28.019 1.00 0.00 ATOM 159 O SER A 23 9.622 25.595 25.496 1.00 0.00 ATOM 160 C SER A 23 9.850 24.390 25.534 1.00 0.00 ATOM 161 N LYS A 24 11.108 23.884 25.544 1.00 0.00 ATOM 162 CA LYS A 24 12.348 24.523 25.212 1.00 0.00 ATOM 163 CB LYS A 24 12.162 25.470 24.025 1.00 0.00 ATOM 164 CG LYS A 24 11.701 24.784 22.749 1.00 0.00 ATOM 165 CD LYS A 24 11.685 25.751 21.577 1.00 0.00 ATOM 166 CE LYS A 24 11.153 25.084 20.319 1.00 0.00 ATOM 167 NZ LYS A 24 11.156 26.013 19.155 1.00 0.00 ATOM 168 O LYS A 24 13.579 26.215 26.339 1.00 0.00 ATOM 169 C LYS A 24 12.775 25.293 26.443 1.00 0.00 ATOM 170 N ASP A 25 12.302 24.895 27.646 1.00 0.00 ATOM 171 CA ASP A 25 12.465 25.750 28.810 1.00 0.00 ATOM 172 CB ASP A 25 11.102 26.211 29.331 1.00 0.00 ATOM 173 CG ASP A 25 10.299 26.956 28.284 1.00 0.00 ATOM 174 OD1 ASP A 25 10.822 27.944 27.726 1.00 0.00 ATOM 175 OD2 ASP A 25 9.147 26.553 28.020 1.00 0.00 ATOM 176 O ASP A 25 13.373 25.433 30.958 1.00 0.00 ATOM 177 C ASP A 25 13.172 24.939 29.855 1.00 0.00 ATOM 178 N GLU A 26 13.572 23.682 29.551 1.00 0.00 ATOM 179 CA GLU A 26 14.622 23.055 30.321 1.00 0.00 ATOM 180 CB GLU A 26 14.028 22.106 31.364 1.00 0.00 ATOM 181 CG GLU A 26 13.163 22.795 32.408 1.00 0.00 ATOM 182 CD GLU A 26 12.581 21.823 33.415 1.00 0.00 ATOM 183 OE1 GLU A 26 12.847 20.608 33.291 1.00 0.00 ATOM 184 OE2 GLU A 26 11.859 22.275 34.329 1.00 0.00 ATOM 185 O GLU A 26 15.078 21.944 28.333 1.00 0.00 ATOM 186 C GLU A 26 15.520 22.274 29.430 1.00 0.00 ATOM 187 N LEU A 27 16.776 21.950 29.823 1.00 0.00 ATOM 188 CA LEU A 27 17.464 20.847 29.217 1.00 0.00 ATOM 189 CB LEU A 27 18.336 21.332 28.057 1.00 0.00 ATOM 190 CG LEU A 27 19.409 22.366 28.402 1.00 0.00 ATOM 191 CD1 LEU A 27 20.671 21.683 28.909 1.00 0.00 ATOM 192 CD2 LEU A 27 19.775 23.190 27.177 1.00 0.00 ATOM 193 O LEU A 27 18.588 20.747 31.306 1.00 0.00 ATOM 194 C LEU A 27 18.335 20.187 30.245 1.00 0.00 ATOM 195 N ILE A 28 18.790 18.947 29.961 1.00 0.00 ATOM 196 CA ILE A 28 19.379 18.098 30.941 1.00 0.00 ATOM 197 CB ILE A 28 18.566 16.804 31.129 1.00 0.00 ATOM 198 CG1 ILE A 28 17.151 17.129 31.613 1.00 0.00 ATOM 199 CG2 ILE A 28 19.231 15.901 32.156 1.00 0.00 ATOM 200 CD1 ILE A 28 16.209 15.945 31.585 1.00 0.00 ATOM 201 O ILE A 28 21.001 17.340 29.361 1.00 0.00 ATOM 202 C ILE A 28 20.781 17.721 30.513 1.00 0.00 ATOM 203 N CYS A 29 21.742 17.789 31.481 1.00 0.00 ATOM 204 CA CYS A 29 23.167 17.795 31.365 1.00 0.00 ATOM 205 CB CYS A 29 23.716 19.208 31.576 1.00 0.00 ATOM 206 SG CYS A 29 25.514 19.338 31.443 1.00 0.00 ATOM 207 O CYS A 29 24.334 17.377 33.373 1.00 0.00 ATOM 208 C CYS A 29 23.990 16.956 32.297 1.00 0.00 ATOM 209 N LYS A 30 24.562 15.852 31.880 1.00 0.00 ATOM 210 CA LYS A 30 25.151 15.022 32.879 1.00 0.00 ATOM 211 CB LYS A 30 24.885 13.546 32.575 1.00 0.00 ATOM 212 CG LYS A 30 23.481 13.083 32.929 1.00 0.00 ATOM 213 CD LYS A 30 23.238 11.655 32.469 1.00 0.00 ATOM 214 CE LYS A 30 23.177 11.567 30.952 1.00 0.00 ATOM 215 NZ LYS A 30 22.770 10.211 30.491 1.00 0.00 ATOM 216 O LYS A 30 27.309 14.803 31.964 1.00 0.00 ATOM 217 C LYS A 30 26.596 15.348 32.803 1.00 0.00 ATOM 218 N GLY A 31 27.050 16.304 33.629 1.00 0.00 ATOM 219 CA GLY A 31 27.644 16.072 34.896 1.00 0.00 ATOM 220 O GLY A 31 29.665 15.400 33.906 1.00 0.00 ATOM 221 C GLY A 31 29.090 16.244 34.592 1.00 0.00 ATOM 222 N ASP A 32 29.715 17.335 35.082 1.00 0.00 ATOM 223 CA ASP A 32 31.145 17.468 35.002 1.00 0.00 ATOM 224 CB ASP A 32 31.552 18.940 35.094 1.00 0.00 ATOM 225 CG ASP A 32 31.212 19.718 33.839 1.00 0.00 ATOM 226 OD1 ASP A 32 30.875 19.082 32.818 1.00 0.00 ATOM 227 OD2 ASP A 32 31.282 20.965 33.875 1.00 0.00 ATOM 228 O ASP A 32 31.163 16.724 37.237 1.00 0.00 ATOM 229 C ASP A 32 31.701 16.710 36.133 1.00 0.00 ATOM 230 N ARG A 33 32.829 16.033 35.844 1.00 0.00 ATOM 231 CA ARG A 33 33.775 15.521 36.797 1.00 0.00 ATOM 232 CB ARG A 33 33.847 16.433 38.024 1.00 0.00 ATOM 233 CG ARG A 33 34.435 17.806 37.743 1.00 0.00 ATOM 234 CD ARG A 33 34.476 18.657 39.001 1.00 0.00 ATOM 235 NE ARG A 33 35.011 19.992 38.742 1.00 0.00 ATOM 236 CZ ARG A 33 35.096 20.953 39.656 1.00 0.00 ATOM 237 NH1 ARG A 33 35.597 22.136 39.329 1.00 0.00 ATOM 238 NH2 ARG A 33 34.680 20.728 40.895 1.00 0.00 ATOM 239 O ARG A 33 33.608 13.779 38.356 1.00 0.00 ATOM 240 C ARG A 33 33.344 14.167 37.218 1.00 0.00 ATOM 241 N LEU A 34 32.689 13.377 36.349 1.00 0.00 ATOM 242 CA LEU A 34 32.320 12.102 36.852 1.00 0.00 ATOM 243 CB LEU A 34 30.966 12.177 37.560 1.00 0.00 ATOM 244 CG LEU A 34 29.740 12.360 36.663 1.00 0.00 ATOM 245 CD1 LEU A 34 28.463 12.047 37.427 1.00 0.00 ATOM 246 CD2 LEU A 34 29.654 13.791 36.156 1.00 0.00 ATOM 247 O LEU A 34 31.999 11.716 34.512 1.00 0.00 ATOM 248 C LEU A 34 32.263 11.241 35.618 1.00 0.00 ATOM 249 N ALA A 35 32.528 9.936 35.789 1.00 0.00 ATOM 250 CA ALA A 35 32.982 9.108 34.701 1.00 0.00 ATOM 251 CB ALA A 35 33.947 8.048 35.209 1.00 0.00 ATOM 252 O ALA A 35 30.745 8.616 35.040 1.00 0.00 ATOM 253 C ALA A 35 31.672 8.564 34.246 1.00 0.00 ATOM 254 N PHE A 36 31.543 8.013 33.011 1.00 0.00 ATOM 255 CA PHE A 36 30.351 7.297 32.567 1.00 0.00 ATOM 256 CB PHE A 36 30.710 6.282 31.480 1.00 0.00 ATOM 257 CG PHE A 36 31.588 5.163 31.961 1.00 0.00 ATOM 258 CD1 PHE A 36 31.037 3.985 32.435 1.00 0.00 ATOM 259 CD2 PHE A 36 32.967 5.288 31.941 1.00 0.00 ATOM 260 CE1 PHE A 36 31.846 2.956 32.878 1.00 0.00 ATOM 261 CE2 PHE A 36 33.775 4.259 32.384 1.00 0.00 ATOM 262 CZ PHE A 36 33.220 3.096 32.851 1.00 0.00 ATOM 263 O PHE A 36 28.356 6.428 33.394 1.00 0.00 ATOM 264 C PHE A 36 29.569 6.491 33.574 1.00 0.00 ATOM 265 N PRO A 37 30.111 5.898 34.618 1.00 0.00 ATOM 266 CA PRO A 37 29.289 5.280 35.665 1.00 0.00 ATOM 267 CB PRO A 37 30.309 4.783 36.692 1.00 0.00 ATOM 268 CG PRO A 37 31.579 4.648 35.921 1.00 0.00 ATOM 269 CD PRO A 37 31.598 5.791 34.944 1.00 0.00 ATOM 270 O PRO A 37 28.062 5.638 37.625 1.00 0.00 ATOM 271 C PRO A 37 28.225 6.032 36.475 1.00 0.00 ATOM 272 N ILE A 38 27.449 7.031 35.994 1.00 0.00 ATOM 273 CA ILE A 38 26.634 7.821 36.904 1.00 0.00 ATOM 274 CB ILE A 38 26.792 9.330 36.638 1.00 0.00 ATOM 275 CG1 ILE A 38 26.344 9.671 35.216 1.00 0.00 ATOM 276 CG2 ILE A 38 28.245 9.749 36.799 1.00 0.00 ATOM 277 CD1 ILE A 38 26.260 11.156 34.942 1.00 0.00 ATOM 278 O ILE A 38 24.941 6.264 36.936 1.00 0.00 ATOM 279 C ILE A 38 25.176 7.443 36.714 1.00 0.00 ATOM 280 N LYS A 39 24.194 8.357 36.359 1.00 0.00 ATOM 281 CA LYS A 39 22.786 8.136 36.077 1.00 0.00 ATOM 282 CB LYS A 39 22.266 6.928 36.859 1.00 0.00 ATOM 283 CG LYS A 39 20.816 6.578 36.569 1.00 0.00 ATOM 284 CD LYS A 39 20.388 5.327 37.319 1.00 0.00 ATOM 285 CE LYS A 39 18.932 4.989 37.044 1.00 0.00 ATOM 286 NZ LYS A 39 18.502 3.759 37.766 1.00 0.00 ATOM 287 O LYS A 39 21.937 10.328 35.732 1.00 0.00 ATOM 288 C LYS A 39 22.131 9.401 36.515 1.00 0.00 ATOM 289 N ASP A 40 21.856 9.481 37.814 1.00 0.00 ATOM 290 CA ASP A 40 20.927 10.420 38.367 1.00 0.00 ATOM 291 CB ASP A 40 20.450 9.954 39.744 1.00 0.00 ATOM 292 CG ASP A 40 19.517 8.761 39.664 1.00 0.00 ATOM 293 OD1 ASP A 40 19.033 8.459 38.553 1.00 0.00 ATOM 294 OD2 ASP A 40 19.269 8.130 40.713 1.00 0.00 ATOM 295 O ASP A 40 20.971 12.748 38.666 1.00 0.00 ATOM 296 C ASP A 40 21.622 11.723 38.490 1.00 0.00 ATOM 297 N GLY A 41 22.973 11.742 38.442 1.00 0.00 ATOM 298 CA GLY A 41 23.639 12.998 38.484 1.00 0.00 ATOM 299 O GLY A 41 24.724 14.251 36.873 1.00 0.00 ATOM 300 C GLY A 41 23.675 13.690 37.174 1.00 0.00 ATOM 301 N ILE A 42 22.560 13.674 36.412 1.00 0.00 ATOM 302 CA ILE A 42 22.387 14.464 35.229 1.00 0.00 ATOM 303 CB ILE A 42 21.385 13.813 34.257 1.00 0.00 ATOM 304 CG1 ILE A 42 20.010 13.684 34.916 1.00 0.00 ATOM 305 CG2 ILE A 42 21.859 12.425 33.854 1.00 0.00 ATOM 306 CD1 ILE A 42 18.915 13.254 33.965 1.00 0.00 ATOM 307 O ILE A 42 20.882 15.817 36.522 1.00 0.00 ATOM 308 C ILE A 42 21.872 15.767 35.797 1.00 0.00 ATOM 309 N PRO A 43 26.911 10.409 41.129 1.00 0.00 ATOM 310 CA PRO A 43 26.976 10.886 42.509 1.00 0.00 ATOM 311 CB PRO A 43 28.474 11.053 42.773 1.00 0.00 ATOM 312 CG PRO A 43 29.130 10.137 41.795 1.00 0.00 ATOM 313 CD PRO A 43 28.290 10.186 40.549 1.00 0.00 ATOM 314 O PRO A 43 26.149 12.993 41.837 1.00 0.00 ATOM 315 C PRO A 43 26.267 12.178 42.744 1.00 0.00 ATOM 316 N MET A 44 25.822 12.381 43.998 1.00 0.00 ATOM 317 CA MET A 44 25.154 13.575 44.418 1.00 0.00 ATOM 318 CB MET A 44 24.786 13.490 45.901 1.00 0.00 ATOM 319 CG MET A 44 23.708 12.466 46.215 1.00 0.00 ATOM 320 SD MET A 44 22.153 12.811 45.371 1.00 0.00 ATOM 321 CE MET A 44 21.636 14.306 46.212 1.00 0.00 ATOM 322 O MET A 44 25.536 15.857 43.941 1.00 0.00 ATOM 323 C MET A 44 26.025 14.766 44.221 1.00 0.00 ATOM 324 N MET A 45 27.349 14.575 44.319 1.00 0.00 ATOM 325 CA MET A 45 28.249 15.655 44.050 1.00 0.00 ATOM 326 CB MET A 45 29.697 15.213 44.270 1.00 0.00 ATOM 327 CG MET A 45 30.048 14.939 45.723 1.00 0.00 ATOM 328 SD MET A 45 29.841 16.389 46.775 1.00 0.00 ATOM 329 CE MET A 45 31.159 17.439 46.166 1.00 0.00 ATOM 330 O MET A 45 28.173 17.262 42.310 1.00 0.00 ATOM 331 C MET A 45 28.065 16.084 42.609 1.00 0.00 ATOM 332 N LEU A 46 27.699 15.213 41.667 1.00 0.00 ATOM 333 CA LEU A 46 27.795 15.599 40.280 1.00 0.00 ATOM 334 CB LEU A 46 28.072 14.377 39.402 1.00 0.00 ATOM 335 CG LEU A 46 29.377 13.627 39.676 1.00 0.00 ATOM 336 CD1 LEU A 46 29.480 12.388 38.800 1.00 0.00 ATOM 337 CD2 LEU A 46 30.578 14.514 39.387 1.00 0.00 ATOM 338 O LEU A 46 26.244 16.511 38.668 1.00 0.00 ATOM 339 C LEU A 46 26.487 16.238 39.837 1.00 0.00 ATOM 340 N GLU A 47 25.602 16.583 40.760 1.00 0.00 ATOM 341 CA GLU A 47 24.437 17.313 40.358 1.00 0.00 ATOM 342 CB GLU A 47 23.312 17.132 41.379 1.00 0.00 ATOM 343 CG GLU A 47 22.792 15.707 41.483 1.00 0.00 ATOM 344 CD GLU A 47 21.717 15.556 42.541 1.00 0.00 ATOM 345 OE1 GLU A 47 21.413 16.555 43.227 1.00 0.00 ATOM 346 OE2 GLU A 47 21.177 14.438 42.684 1.00 0.00 ATOM 347 O GLU A 47 26.126 19.054 40.476 1.00 0.00 ATOM 348 C GLU A 47 24.952 18.755 40.305 1.00 0.00 ATOM 349 N SER A 48 24.126 19.782 40.223 1.00 0.00 ATOM 350 CA SER A 48 24.084 20.601 39.080 1.00 0.00 ATOM 351 CB SER A 48 22.725 20.485 38.387 1.00 0.00 ATOM 352 OG SER A 48 21.696 21.046 39.185 1.00 0.00 ATOM 353 O SER A 48 24.527 22.317 40.708 1.00 0.00 ATOM 354 C SER A 48 24.315 22.053 39.522 1.00 0.00 ATOM 355 N GLU A 49 24.268 23.031 38.580 1.00 0.00 ATOM 356 CA GLU A 49 24.404 24.442 38.823 1.00 0.00 ATOM 357 CB GLU A 49 25.631 24.995 38.096 1.00 0.00 ATOM 358 CG GLU A 49 25.856 26.484 38.302 1.00 0.00 ATOM 359 CD GLU A 49 27.100 26.989 37.597 1.00 0.00 ATOM 360 OE1 GLU A 49 27.753 26.186 36.897 1.00 0.00 ATOM 361 OE2 GLU A 49 27.421 28.187 37.744 1.00 0.00 ATOM 362 O GLU A 49 22.733 24.724 37.178 1.00 0.00 ATOM 363 C GLU A 49 23.137 25.048 38.292 1.00 0.00 ATOM 364 N ALA A 50 22.511 25.959 39.072 1.00 0.00 ATOM 365 CA ALA A 50 21.213 26.506 38.741 1.00 0.00 ATOM 366 CB ALA A 50 20.225 26.246 39.868 1.00 0.00 ATOM 367 O ALA A 50 21.921 28.607 39.420 1.00 0.00 ATOM 368 C ALA A 50 21.345 27.983 38.531 1.00 0.00 ATOM 369 N ARG A 51 20.773 28.558 37.418 1.00 0.00 ATOM 370 CA ARG A 51 20.493 29.961 37.056 1.00 0.00 ATOM 371 CB ARG A 51 21.337 30.912 37.906 1.00 0.00 ATOM 372 CG ARG A 51 21.058 32.385 37.652 1.00 0.00 ATOM 373 CD ARG A 51 21.872 33.270 38.583 1.00 0.00 ATOM 374 NE ARG A 51 21.632 34.690 38.337 1.00 0.00 ATOM 375 CZ ARG A 51 22.206 35.674 39.021 1.00 0.00 ATOM 376 NH1 ARG A 51 21.927 36.936 38.727 1.00 0.00 ATOM 377 NH2 ARG A 51 23.059 35.393 39.997 1.00 0.00 ATOM 378 O ARG A 51 21.852 29.201 35.460 1.00 0.00 ATOM 379 C ARG A 51 20.890 29.890 35.645 1.00 0.00 ATOM 380 N GLU A 52 20.236 30.478 34.623 1.00 0.00 ATOM 381 CA GLU A 52 20.795 30.390 33.310 1.00 0.00 ATOM 382 CB GLU A 52 20.555 29.000 32.718 1.00 0.00 ATOM 383 CG GLU A 52 19.089 28.662 32.502 1.00 0.00 ATOM 384 CD GLU A 52 18.887 27.253 31.980 1.00 0.00 ATOM 385 OE1 GLU A 52 19.430 26.935 30.902 1.00 0.00 ATOM 386 OE2 GLU A 52 18.185 26.466 32.651 1.00 0.00 ATOM 387 O GLU A 52 19.238 32.177 33.103 1.00 0.00 ATOM 388 C GLU A 52 20.070 31.436 32.596 1.00 0.00 ATOM 389 N LEU A 53 20.403 31.518 31.360 1.00 0.00 ATOM 390 CA LEU A 53 19.935 32.510 30.547 1.00 0.00 ATOM 391 CB LEU A 53 20.788 32.613 29.281 1.00 0.00 ATOM 392 CG LEU A 53 22.251 33.015 29.481 1.00 0.00 ATOM 393 CD1 LEU A 53 23.009 32.959 28.163 1.00 0.00 ATOM 394 CD2 LEU A 53 22.349 34.432 30.026 1.00 0.00 ATOM 395 O LEU A 53 18.115 31.137 29.698 1.00 0.00 ATOM 396 C LEU A 53 18.464 32.232 30.120 1.00 0.00 ATOM 397 N ALA A 54 17.556 33.252 30.212 1.00 0.00 ATOM 398 CA ALA A 54 16.091 33.128 30.096 1.00 0.00 ATOM 399 CB ALA A 54 15.409 34.374 30.639 1.00 0.00 ATOM 400 O ALA A 54 16.515 33.571 27.961 1.00 0.00 ATOM 401 C ALA A 54 15.719 32.954 28.644 1.00 0.00 ATOM 402 N PRO A 55 14.675 32.303 28.042 1.00 0.00 ATOM 403 CA PRO A 55 14.776 31.436 26.850 1.00 0.00 ATOM 404 CB PRO A 55 13.382 31.505 26.223 1.00 0.00 ATOM 405 CG PRO A 55 12.463 31.722 27.378 1.00 0.00 ATOM 406 CD PRO A 55 13.162 32.691 28.290 1.00 0.00 ATOM 407 O PRO A 55 16.446 30.896 25.308 1.00 0.00 ATOM 408 C PRO A 55 15.789 31.804 25.802 1.00 0.00 ATOM 409 N GLU A 56 15.923 33.091 25.450 1.00 0.00 ATOM 410 CA GLU A 56 16.899 33.661 24.564 1.00 0.00 ATOM 411 CB GLU A 56 16.794 35.187 24.562 1.00 0.00 ATOM 412 CG GLU A 56 17.755 35.874 23.605 1.00 0.00 ATOM 413 CD GLU A 56 17.580 37.380 23.585 1.00 0.00 ATOM 414 OE1 GLU A 56 16.691 37.884 24.302 1.00 0.00 ATOM 415 OE2 GLU A 56 18.331 38.056 22.851 1.00 0.00 ATOM 416 O GLU A 56 19.192 33.089 24.142 1.00 0.00 ATOM 417 C GLU A 56 18.294 33.315 24.946 1.00 0.00 ATOM 418 N GLU A 57 18.569 33.304 26.200 1.00 0.00 ATOM 419 CA GLU A 57 19.909 33.278 26.486 1.00 0.00 ATOM 420 CB GLU A 57 20.190 34.004 27.803 1.00 0.00 ATOM 421 CG GLU A 57 19.914 35.498 27.760 1.00 0.00 ATOM 422 CD GLU A 57 20.765 36.218 26.732 1.00 0.00 ATOM 423 OE1 GLU A 57 22.002 36.053 26.765 1.00 0.00 ATOM 424 OE2 GLU A 57 20.194 36.947 25.894 1.00 0.00 ATOM 425 O GLU A 57 21.384 31.338 26.386 1.00 0.00 ATOM 426 C GLU A 57 20.240 31.752 26.581 1.00 0.00 ATOM 427 N GLU A 58 19.259 30.886 26.987 1.00 0.00 ATOM 428 CA GLU A 58 19.406 29.453 27.012 1.00 0.00 ATOM 429 CB GLU A 58 18.131 28.793 27.540 1.00 0.00 ATOM 430 CG GLU A 58 18.219 27.280 27.660 1.00 0.00 ATOM 431 CD GLU A 58 16.960 26.667 28.240 1.00 0.00 ATOM 432 OE1 GLU A 58 16.025 27.428 28.567 1.00 0.00 ATOM 433 OE2 GLU A 58 16.908 25.426 28.369 1.00 0.00 ATOM 434 O GLU A 58 20.518 28.144 25.383 1.00 0.00 ATOM 435 C GLU A 58 19.670 29.006 25.613 1.00 0.00 ATOM 436 N VAL A 59 18.949 29.598 24.639 1.00 0.00 ATOM 437 CA VAL A 59 19.089 29.243 23.257 1.00 0.00 ATOM 438 CB VAL A 59 18.095 30.018 22.372 1.00 0.00 ATOM 439 CG1 VAL A 59 18.393 29.777 20.900 1.00 0.00 ATOM 440 CG2 VAL A 59 16.669 29.569 22.653 1.00 0.00 ATOM 441 O VAL A 59 21.099 28.800 22.082 1.00 0.00 ATOM 442 C VAL A 59 20.482 29.567 22.819 1.00 0.00 ATOM 443 N LYS A 60 21.006 30.716 23.272 1.00 0.00 ATOM 444 CA LYS A 60 22.267 31.214 22.855 1.00 0.00 ATOM 445 CB LYS A 60 22.498 32.620 23.411 1.00 0.00 ATOM 446 CG LYS A 60 21.618 33.689 22.784 1.00 0.00 ATOM 447 CD LYS A 60 21.903 35.058 23.378 1.00 0.00 ATOM 448 CE LYS A 60 20.999 36.121 22.774 1.00 0.00 ATOM 449 NZ LYS A 60 21.251 37.465 23.365 1.00 0.00 ATOM 450 O LYS A 60 24.285 30.007 22.658 1.00 0.00 ATOM 451 C LYS A 60 23.322 30.294 23.366 1.00 0.00 ATOM 452 N LEU A 61 23.155 29.818 24.609 1.00 0.00 ATOM 453 CA LEU A 61 24.078 28.916 25.215 1.00 0.00 ATOM 454 CB LEU A 61 23.668 28.619 26.659 1.00 0.00 ATOM 455 CG LEU A 61 23.825 29.767 27.658 1.00 0.00 ATOM 456 CD1 LEU A 61 23.207 29.401 28.999 1.00 0.00 ATOM 457 CD2 LEU A 61 25.295 30.087 27.883 1.00 0.00 ATOM 458 O LEU A 61 25.190 27.149 24.177 1.00 0.00 ATOM 459 C LEU A 61 24.103 27.647 24.452 1.00 0.00 ATOM 460 N GLU A 62 22.922 27.108 24.099 1.00 0.00 ATOM 461 CA GLU A 62 22.818 25.896 23.344 1.00 0.00 ATOM 462 CB GLU A 62 21.362 25.629 22.956 1.00 0.00 ATOM 463 CG GLU A 62 21.154 24.344 22.172 1.00 0.00 ATOM 464 CD GLU A 62 19.696 24.093 21.842 1.00 0.00 ATOM 465 OE1 GLU A 62 18.844 24.907 22.256 1.00 0.00 ATOM 466 OE2 GLU A 62 19.405 23.082 21.168 1.00 0.00 ATOM 467 O GLU A 62 24.547 25.245 21.844 1.00 0.00 ATOM 468 C GLU A 62 23.653 26.049 22.104 1.00 0.00 ATOM 469 N HIS A 63 23.420 27.117 21.329 1.00 0.00 ATOM 470 CA HIS A 63 24.053 27.277 20.055 1.00 0.00 ATOM 471 CB HIS A 63 23.538 28.536 19.355 1.00 0.00 ATOM 472 CG HIS A 63 22.122 28.427 18.881 1.00 0.00 ATOM 473 CD2 HIS A 63 21.171 27.341 18.690 1.00 0.00 ATOM 474 ND1 HIS A 63 21.381 29.522 18.490 1.00 0.00 ATOM 475 CE1 HIS A 63 20.155 29.111 18.119 1.00 0.00 ATOM 476 NE2 HIS A 63 20.023 27.804 18.237 1.00 0.00 ATOM 477 O HIS A 63 26.292 26.905 19.357 1.00 0.00 ATOM 478 C HIS A 63 25.539 27.402 20.194 1.00 0.00 ATOM 479 N HIS A 64 26.002 28.041 21.277 1.00 0.00 ATOM 480 CA HIS A 64 27.397 28.276 21.500 1.00 0.00 ATOM 481 CB HIS A 64 27.595 29.315 22.605 1.00 0.00 ATOM 482 CG HIS A 64 27.196 30.703 22.208 1.00 0.00 ATOM 483 CD2 HIS A 64 26.905 31.381 20.953 1.00 0.00 ATOM 484 ND1 HIS A 64 27.013 31.715 23.125 1.00 0.00 ATOM 485 CE1 HIS A 64 26.661 32.838 22.472 1.00 0.00 ATOM 486 NE2 HIS A 64 26.594 32.644 21.169 1.00 0.00 ATOM 487 O HIS A 64 29.205 26.754 21.494 1.00 0.00 ATOM 488 C HIS A 64 28.076 27.001 21.913 1.00 0.00 ATOM 489 N HIS A 65 27.416 26.149 22.722 1.00 0.00 ATOM 490 CA HIS A 65 28.025 24.931 23.196 1.00 0.00 ATOM 491 CB HIS A 65 27.170 24.297 24.295 1.00 0.00 ATOM 492 CG HIS A 65 27.180 25.060 25.583 1.00 0.00 ATOM 493 CD2 HIS A 65 27.988 26.128 26.151 1.00 0.00 ATOM 494 ND1 HIS A 65 26.272 24.825 26.594 1.00 0.00 ATOM 495 CE1 HIS A 65 26.531 25.659 27.617 1.00 0.00 ATOM 496 NE2 HIS A 65 27.559 26.444 27.358 1.00 0.00 ATOM 497 O HIS A 65 29.102 23.244 21.908 1.00 0.00 ATOM 498 C HIS A 65 28.133 23.994 22.025 1.00 0.00 ATOM 499 N HIS A 66 27.147 24.033 21.109 1.00 0.00 ATOM 500 CA HIS A 66 27.147 23.207 19.936 1.00 0.00 ATOM 501 CB HIS A 66 25.842 23.382 19.157 1.00 0.00 ATOM 502 CG HIS A 66 25.749 22.526 17.932 1.00 0.00 ATOM 503 CD2 HIS A 66 25.766 22.764 16.496 1.00 0.00 ATOM 504 ND1 HIS A 66 25.612 21.157 17.990 1.00 0.00 ATOM 505 CE1 HIS A 66 25.556 20.669 16.738 1.00 0.00 ATOM 506 NE2 HIS A 66 25.648 21.627 15.837 1.00 0.00 ATOM 507 O HIS A 66 29.002 22.749 18.505 1.00 0.00 ATOM 508 C HIS A 66 28.301 23.598 19.056 1.00 0.00 ATOM 509 N HIS A 67 28.555 24.914 18.930 1.00 0.00 ATOM 510 CA HIS A 67 29.581 25.426 18.068 1.00 0.00 ATOM 511 CB HIS A 67 29.435 26.940 17.902 1.00 0.00 ATOM 512 CG HIS A 67 28.260 27.346 17.069 1.00 0.00 ATOM 513 CD2 HIS A 67 27.210 26.646 16.343 1.00 0.00 ATOM 514 ND1 HIS A 67 27.941 28.664 16.824 1.00 0.00 ATOM 515 CE1 HIS A 67 26.841 28.712 16.051 1.00 0.00 ATOM 516 NE2 HIS A 67 26.398 27.505 15.758 1.00 0.00 ATOM 517 O HIS A 67 31.937 25.349 17.844 1.00 0.00 ATOM 518 C HIS A 67 30.969 25.172 18.584 1.00 0.00 ATOM 519 N HIS A 68 31.111 24.735 19.847 1.00 0.00 ATOM 520 CA HIS A 68 32.404 24.494 20.425 1.00 0.00 ATOM 521 CB HIS A 68 32.369 24.734 21.936 1.00 0.00 ATOM 522 CG HIS A 68 32.032 26.142 22.316 1.00 0.00 ATOM 523 CD2 HIS A 68 31.869 27.400 21.601 1.00 0.00 ATOM 524 ND1 HIS A 68 31.783 26.523 23.616 1.00 0.00 ATOM 525 CE1 HIS A 68 31.511 27.840 23.643 1.00 0.00 ATOM 526 NE2 HIS A 68 31.561 28.373 22.437 1.00 0.00 ATOM 527 O HIS A 68 33.945 22.703 20.201 1.00 0.00 ATOM 528 C HIS A 68 32.771 23.076 20.148 1.00 0.00 ENDMDL