EXPDTA T0348TS673_3-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348TS673_3-scwrl ATOM 1 N MET A 1 36.046 11.078 19.351 1.00 0.00 ATOM 2 CA MET A 1 35.832 10.042 18.328 1.00 0.00 ATOM 3 CB MET A 1 36.684 8.808 18.629 1.00 0.00 ATOM 4 CG MET A 1 36.639 7.742 17.546 1.00 0.00 ATOM 5 SD MET A 1 37.686 6.324 17.920 1.00 0.00 ATOM 6 CE MET A 1 39.309 7.003 17.582 1.00 0.00 ATOM 7 O MET A 1 33.780 9.354 19.363 1.00 0.00 ATOM 8 C MET A 1 34.351 9.627 18.306 1.00 0.00 ATOM 9 N ASP A 2 33.714 9.628 17.131 1.00 0.00 ATOM 10 CA ASP A 2 32.244 9.625 17.006 1.00 0.00 ATOM 11 CB ASP A 2 31.831 9.683 15.534 1.00 0.00 ATOM 12 CG ASP A 2 32.063 11.049 14.918 1.00 0.00 ATOM 13 OD1 ASP A 2 32.359 11.999 15.673 1.00 0.00 ATOM 14 OD2 ASP A 2 31.948 11.169 13.680 1.00 0.00 ATOM 15 O ASP A 2 31.920 7.240 17.308 1.00 0.00 ATOM 16 C ASP A 2 31.555 8.381 17.600 1.00 0.00 ATOM 17 N ALA A 3 30.469 8.604 18.352 1.00 0.00 ATOM 18 CA ALA A 3 29.601 7.549 18.890 1.00 0.00 ATOM 19 CB ALA A 3 28.452 8.159 19.679 1.00 0.00 ATOM 20 O ALA A 3 28.638 5.494 18.065 1.00 0.00 ATOM 21 C ALA A 3 28.971 6.652 17.800 1.00 0.00 ATOM 22 N LYS A 4 28.860 7.161 16.562 1.00 0.00 ATOM 23 CA LYS A 4 28.404 6.418 15.372 1.00 0.00 ATOM 24 CB LYS A 4 28.487 7.300 14.125 1.00 0.00 ATOM 25 CG LYS A 4 27.465 8.425 14.091 1.00 0.00 ATOM 26 CD LYS A 4 27.609 9.264 12.832 1.00 0.00 ATOM 27 CE LYS A 4 26.590 10.391 12.800 1.00 0.00 ATOM 28 NZ LYS A 4 26.739 11.241 11.586 1.00 0.00 ATOM 29 O LYS A 4 28.682 4.162 14.634 1.00 0.00 ATOM 30 C LYS A 4 29.236 5.162 15.089 1.00 0.00 ATOM 31 N PHE A 5 30.543 5.184 15.377 1.00 0.00 ATOM 32 CA PHE A 5 31.425 4.026 15.186 1.00 0.00 ATOM 33 CB PHE A 5 32.869 4.388 15.541 1.00 0.00 ATOM 34 CG PHE A 5 33.578 5.171 14.474 1.00 0.00 ATOM 35 CD1 PHE A 5 33.732 6.542 14.589 1.00 0.00 ATOM 36 CD2 PHE A 5 34.090 4.538 13.355 1.00 0.00 ATOM 37 CE1 PHE A 5 34.385 7.262 13.606 1.00 0.00 ATOM 38 CE2 PHE A 5 34.742 5.259 12.373 1.00 0.00 ATOM 39 CZ PHE A 5 34.891 6.615 12.495 1.00 0.00 ATOM 40 O PHE A 5 31.035 1.701 15.586 1.00 0.00 ATOM 41 C PHE A 5 31.020 2.832 16.063 1.00 0.00 ATOM 42 N LEU A 6 30.610 3.060 17.317 1.00 0.00 ATOM 43 CA LEU A 6 30.226 2.004 18.269 1.00 0.00 ATOM 44 CB LEU A 6 29.748 2.618 19.586 1.00 0.00 ATOM 45 CG LEU A 6 29.299 1.635 20.669 1.00 0.00 ATOM 46 CD1 LEU A 6 30.449 0.729 21.083 1.00 0.00 ATOM 47 CD2 LEU A 6 28.813 2.379 21.903 1.00 0.00 ATOM 48 O LEU A 6 29.173 -0.098 17.725 1.00 0.00 ATOM 49 C LEU A 6 29.086 1.131 17.712 1.00 0.00 ATOM 50 N GLU A 7 28.053 1.771 17.157 1.00 0.00 ATOM 51 CA GLU A 7 26.881 1.121 16.546 1.00 0.00 ATOM 52 CB GLU A 7 25.820 2.162 16.183 1.00 0.00 ATOM 53 CG GLU A 7 25.136 2.795 17.384 1.00 0.00 ATOM 54 CD GLU A 7 24.144 3.872 16.988 1.00 0.00 ATOM 55 OE1 GLU A 7 24.021 4.149 15.777 1.00 0.00 ATOM 56 OE2 GLU A 7 23.490 4.437 17.889 1.00 0.00 ATOM 57 O GLU A 7 26.407 -0.508 14.832 1.00 0.00 ATOM 58 C GLU A 7 27.198 0.344 15.249 1.00 0.00 ATOM 59 N ILE A 8 28.344 0.617 14.611 1.00 0.00 ATOM 60 CA ILE A 8 28.854 -0.107 13.433 1.00 0.00 ATOM 61 CB ILE A 8 29.689 0.813 12.523 1.00 0.00 ATOM 62 CG1 ILE A 8 28.813 1.924 11.940 1.00 0.00 ATOM 63 CG2 ILE A 8 30.291 0.020 11.373 1.00 0.00 ATOM 64 CD1 ILE A 8 29.596 3.018 11.247 1.00 0.00 ATOM 65 O ILE A 8 29.602 -2.399 13.374 1.00 0.00 ATOM 66 C ILE A 8 29.749 -1.281 13.874 1.00 0.00 ATOM 67 N LEU A 9 30.668 -1.031 14.815 1.00 0.00 ATOM 68 CA LEU A 9 31.665 -1.985 15.311 1.00 0.00 ATOM 69 CB LEU A 9 32.634 -1.296 16.274 1.00 0.00 ATOM 70 CG LEU A 9 33.594 -0.277 15.656 1.00 0.00 ATOM 71 CD1 LEU A 9 34.392 0.434 16.738 1.00 0.00 ATOM 72 CD2 LEU A 9 34.573 -0.963 14.716 1.00 0.00 ATOM 73 O LEU A 9 31.263 -4.311 15.694 1.00 0.00 ATOM 74 C LEU A 9 31.024 -3.163 16.066 1.00 0.00 ATOM 75 N VAL A 10 30.217 -2.868 17.098 1.00 0.00 ATOM 76 CA VAL A 10 29.484 -3.814 17.972 1.00 0.00 ATOM 77 CB VAL A 10 28.305 -4.470 17.230 1.00 0.00 ATOM 78 CG1 VAL A 10 27.556 -5.419 18.153 1.00 0.00 ATOM 79 CG2 VAL A 10 27.331 -3.412 16.735 1.00 0.00 ATOM 80 O VAL A 10 30.505 -6.012 17.859 1.00 0.00 ATOM 81 C VAL A 10 30.360 -4.968 18.499 1.00 0.00 ATOM 82 N CYS A 11 30.942 -4.782 19.692 1.00 0.00 ATOM 83 CA CYS A 11 31.965 -5.672 20.265 1.00 0.00 ATOM 84 CB CYS A 11 33.243 -4.890 20.575 1.00 0.00 ATOM 85 SG CYS A 11 34.021 -4.128 19.132 1.00 0.00 ATOM 86 O CYS A 11 31.758 -5.801 22.670 1.00 0.00 ATOM 87 C CYS A 11 31.514 -6.348 21.586 1.00 0.00 ATOM 88 N PRO A 12 30.877 -7.537 21.526 1.00 0.00 ATOM 89 CA PRO A 12 30.721 -8.452 22.664 1.00 0.00 ATOM 90 CB PRO A 12 30.000 -9.663 22.069 1.00 0.00 ATOM 91 CG PRO A 12 29.383 -9.150 20.811 1.00 0.00 ATOM 92 CD PRO A 12 30.307 -8.080 20.300 1.00 0.00 ATOM 93 O PRO A 12 33.148 -8.565 22.846 1.00 0.00 ATOM 94 C PRO A 12 32.051 -8.894 23.311 1.00 0.00 ATOM 95 N LEU A 13 31.954 -9.706 24.371 1.00 0.00 ATOM 96 CA LEU A 13 33.099 -10.422 24.950 1.00 0.00 ATOM 97 CB LEU A 13 32.679 -11.169 26.217 1.00 0.00 ATOM 98 CG LEU A 13 32.251 -10.303 27.404 1.00 0.00 ATOM 99 CD1 LEU A 13 31.738 -11.169 28.545 1.00 0.00 ATOM 100 CD2 LEU A 13 33.423 -9.482 27.921 1.00 0.00 ATOM 101 O LEU A 13 32.964 -11.999 23.115 1.00 0.00 ATOM 102 C LEU A 13 33.679 -11.455 23.961 1.00 0.00 ATOM 103 N CYS A 14 34.980 -11.739 24.097 1.00 0.00 ATOM 104 CA CYS A 14 35.781 -12.714 23.330 1.00 0.00 ATOM 105 CB CYS A 14 35.104 -14.086 23.335 1.00 0.00 ATOM 106 SG CYS A 14 34.932 -14.828 24.975 1.00 0.00 ATOM 107 O CYS A 14 37.127 -12.614 21.345 1.00 0.00 ATOM 108 C CYS A 14 36.019 -12.379 21.839 1.00 0.00 ATOM 109 N LYS A 15 35.020 -11.851 21.115 1.00 0.00 ATOM 110 CA LYS A 15 35.068 -11.579 19.663 1.00 0.00 ATOM 111 CB LYS A 15 34.272 -12.635 18.893 1.00 0.00 ATOM 112 CG LYS A 15 34.875 -14.029 18.948 1.00 0.00 ATOM 113 CD LYS A 15 34.086 -15.006 18.091 1.00 0.00 ATOM 114 CE LYS A 15 34.691 -16.399 18.144 1.00 0.00 ATOM 115 NZ LYS A 15 33.912 -17.374 17.331 1.00 0.00 ATOM 116 O LYS A 15 33.417 -9.819 19.771 1.00 0.00 ATOM 117 C LYS A 15 34.482 -10.210 19.288 1.00 0.00 ATOM 118 N GLY A 16 35.166 -9.515 18.378 1.00 0.00 ATOM 119 CA GLY A 16 34.753 -8.245 17.762 1.00 0.00 ATOM 120 O GLY A 16 37.036 -8.048 17.057 1.00 0.00 ATOM 121 C GLY A 16 35.896 -7.578 16.967 1.00 0.00 ATOM 122 N PRO A 17 35.630 -6.504 16.190 1.00 0.00 ATOM 123 CA PRO A 17 36.634 -5.693 15.471 1.00 0.00 ATOM 124 CB PRO A 17 35.798 -4.692 14.672 1.00 0.00 ATOM 125 CG PRO A 17 34.602 -4.437 15.527 1.00 0.00 ATOM 126 CD PRO A 17 34.217 -5.767 16.112 1.00 0.00 ATOM 127 O PRO A 17 37.745 -3.695 16.301 1.00 0.00 ATOM 128 C PRO A 17 37.644 -4.924 16.365 1.00 0.00 ATOM 129 N LEU A 18 38.409 -5.635 17.199 1.00 0.00 ATOM 130 CA LEU A 18 39.364 -5.095 18.178 1.00 0.00 ATOM 131 CB LEU A 18 38.828 -5.267 19.601 1.00 0.00 ATOM 132 CG LEU A 18 37.510 -4.558 19.919 1.00 0.00 ATOM 133 CD1 LEU A 18 37.007 -4.952 21.299 1.00 0.00 ATOM 134 CD2 LEU A 18 37.692 -3.048 19.893 1.00 0.00 ATOM 135 O LEU A 18 40.850 -6.953 17.694 1.00 0.00 ATOM 136 C LEU A 18 40.733 -5.797 18.114 1.00 0.00 ATOM 137 N VAL A 19 41.764 -5.088 18.578 1.00 0.00 ATOM 138 CA VAL A 19 43.178 -5.494 18.634 1.00 0.00 ATOM 139 CB VAL A 19 44.000 -4.834 17.511 1.00 0.00 ATOM 140 CG1 VAL A 19 45.462 -5.238 17.614 1.00 0.00 ATOM 141 CG2 VAL A 19 43.478 -5.262 16.148 1.00 0.00 ATOM 142 O VAL A 19 43.510 -3.969 20.472 1.00 0.00 ATOM 143 C VAL A 19 43.772 -5.073 19.987 1.00 0.00 ATOM 144 N PHE A 20 44.580 -5.946 20.599 1.00 0.00 ATOM 145 CA PHE A 20 45.251 -5.698 21.884 1.00 0.00 ATOM 146 CB PHE A 20 44.479 -6.358 23.028 1.00 0.00 ATOM 147 CG PHE A 20 43.079 -5.838 23.194 1.00 0.00 ATOM 148 CD1 PHE A 20 42.015 -6.463 22.567 1.00 0.00 ATOM 149 CD2 PHE A 20 42.827 -4.725 23.976 1.00 0.00 ATOM 150 CE1 PHE A 20 40.727 -5.985 22.720 1.00 0.00 ATOM 151 CE2 PHE A 20 41.540 -4.247 24.129 1.00 0.00 ATOM 152 CZ PHE A 20 40.492 -4.872 23.505 1.00 0.00 ATOM 153 O PHE A 20 46.927 -7.391 21.467 1.00 0.00 ATOM 154 C PHE A 20 46.683 -6.261 21.898 1.00 0.00 ATOM 155 N ASP A 21 47.623 -5.483 22.442 1.00 0.00 ATOM 156 CA ASP A 21 49.025 -5.859 22.685 1.00 0.00 ATOM 157 CB ASP A 21 49.919 -5.359 21.548 1.00 0.00 ATOM 158 CG ASP A 21 49.650 -6.074 20.239 1.00 0.00 ATOM 159 OD1 ASP A 21 49.986 -7.273 20.137 1.00 0.00 ATOM 160 OD2 ASP A 21 49.105 -5.436 19.314 1.00 0.00 ATOM 161 O ASP A 21 49.099 -4.145 24.376 1.00 0.00 ATOM 162 C ASP A 21 49.523 -5.243 24.005 1.00 0.00 ATOM 163 N LYS A 22 50.429 -5.941 24.709 1.00 0.00 ATOM 164 CA LYS A 22 51.110 -5.498 25.951 1.00 0.00 ATOM 165 CB LYS A 22 52.173 -4.444 25.633 1.00 0.00 ATOM 166 CG LYS A 22 53.276 -4.934 24.709 1.00 0.00 ATOM 167 CD LYS A 22 54.294 -3.839 24.436 1.00 0.00 ATOM 168 CE LYS A 22 55.359 -4.307 23.457 1.00 0.00 ATOM 169 NZ LYS A 22 56.296 -3.210 23.089 1.00 0.00 ATOM 170 O LYS A 22 50.521 -3.880 27.654 1.00 0.00 ATOM 171 C LYS A 22 50.168 -4.866 27.002 1.00 0.00 ATOM 172 N SER A 23 48.956 -5.425 27.120 1.00 0.00 ATOM 173 CA SER A 23 47.819 -4.948 27.938 1.00 0.00 ATOM 174 CB SER A 23 48.063 -5.245 29.419 1.00 0.00 ATOM 175 OG SER A 23 48.215 -6.636 29.642 1.00 0.00 ATOM 176 O SER A 23 47.051 -2.821 28.826 1.00 0.00 ATOM 177 C SER A 23 47.525 -3.431 27.859 1.00 0.00 ATOM 178 N LYS A 24 47.770 -2.816 26.691 1.00 0.00 ATOM 179 CA LYS A 24 47.450 -1.409 26.379 1.00 0.00 ATOM 180 CB LYS A 24 48.142 -0.976 25.085 1.00 0.00 ATOM 181 CG LYS A 24 49.657 -0.908 25.185 1.00 0.00 ATOM 182 CD LYS A 24 50.278 -0.463 23.870 1.00 0.00 ATOM 183 CE LYS A 24 51.788 -0.343 23.985 1.00 0.00 ATOM 184 NZ LYS A 24 52.405 0.138 22.718 1.00 0.00 ATOM 185 O LYS A 24 45.136 -2.110 26.162 1.00 0.00 ATOM 186 C LYS A 24 45.939 -1.172 26.192 1.00 0.00 ATOM 187 N ASP A 25 45.560 0.100 26.053 1.00 0.00 ATOM 188 CA ASP A 25 44.199 0.547 25.721 1.00 0.00 ATOM 189 CB ASP A 25 44.128 2.075 25.695 1.00 0.00 ATOM 190 CG ASP A 25 44.142 2.682 27.084 1.00 0.00 ATOM 191 OD1 ASP A 25 44.067 1.917 28.068 1.00 0.00 ATOM 192 OD2 ASP A 25 44.228 3.924 27.189 1.00 0.00 ATOM 193 O ASP A 25 44.492 -0.459 23.522 1.00 0.00 ATOM 194 C ASP A 25 43.715 0.047 24.338 1.00 0.00 ATOM 195 N GLU A 26 42.411 0.190 24.075 1.00 0.00 ATOM 196 CA GLU A 26 41.734 -0.348 22.884 1.00 0.00 ATOM 197 CB GLU A 26 40.255 0.044 22.886 1.00 0.00 ATOM 198 CG GLU A 26 39.455 -0.549 21.737 1.00 0.00 ATOM 199 CD GLU A 26 37.985 -0.183 21.801 1.00 0.00 ATOM 200 OE1 GLU A 26 37.587 0.510 22.761 1.00 0.00 ATOM 201 OE2 GLU A 26 37.231 -0.588 20.892 1.00 0.00 ATOM 202 O GLU A 26 42.431 1.369 21.323 1.00 0.00 ATOM 203 C GLU A 26 42.329 0.160 21.556 1.00 0.00 ATOM 204 N LEU A 27 42.638 -0.775 20.653 1.00 0.00 ATOM 205 CA LEU A 27 42.888 -0.536 19.228 1.00 0.00 ATOM 206 CB LEU A 27 44.268 -1.063 18.830 1.00 0.00 ATOM 207 CG LEU A 27 45.464 -0.454 19.565 1.00 0.00 ATOM 208 CD1 LEU A 27 46.754 -1.152 19.163 1.00 0.00 ATOM 209 CD2 LEU A 27 45.601 1.025 19.236 1.00 0.00 ATOM 210 O LEU A 27 41.290 -2.306 18.850 1.00 0.00 ATOM 211 C LEU A 27 41.803 -1.269 18.421 1.00 0.00 ATOM 212 N ILE A 28 41.381 -0.688 17.298 1.00 0.00 ATOM 213 CA ILE A 28 40.066 -0.961 16.697 1.00 0.00 ATOM 214 CB ILE A 28 39.080 0.195 16.948 1.00 0.00 ATOM 215 CG1 ILE A 28 38.807 0.348 18.445 1.00 0.00 ATOM 216 CG2 ILE A 28 37.759 -0.069 16.241 1.00 0.00 ATOM 217 CD1 ILE A 28 38.051 1.609 18.803 1.00 0.00 ATOM 218 O ILE A 28 41.109 -0.605 14.540 1.00 0.00 ATOM 219 C ILE A 28 40.196 -1.150 15.171 1.00 0.00 ATOM 220 N CYS A 29 39.281 -1.934 14.588 1.00 0.00 ATOM 221 CA CYS A 29 39.266 -2.385 13.187 1.00 0.00 ATOM 222 CB CYS A 29 39.477 -1.201 12.241 1.00 0.00 ATOM 223 SG CYS A 29 38.178 0.054 12.314 1.00 0.00 ATOM 224 O CYS A 29 40.814 -4.132 13.832 1.00 0.00 ATOM 225 C CYS A 29 40.387 -3.420 12.917 1.00 0.00 ATOM 226 N LYS A 30 40.861 -3.538 11.665 1.00 0.00 ATOM 227 CA LYS A 30 41.889 -4.517 11.244 1.00 0.00 ATOM 228 CB LYS A 30 42.093 -4.461 9.729 1.00 0.00 ATOM 229 CG LYS A 30 40.907 -4.966 8.924 1.00 0.00 ATOM 230 CD LYS A 30 41.165 -4.853 7.430 1.00 0.00 ATOM 231 CE LYS A 30 39.993 -5.389 6.625 1.00 0.00 ATOM 232 NZ LYS A 30 40.226 -5.272 5.159 1.00 0.00 ATOM 233 O LYS A 30 44.089 -5.226 11.882 1.00 0.00 ATOM 234 C LYS A 30 43.276 -4.299 11.875 1.00 0.00 ATOM 235 N GLY A 31 43.553 -3.101 12.400 1.00 0.00 ATOM 236 CA GLY A 31 44.819 -2.767 13.063 1.00 0.00 ATOM 237 O GLY A 31 44.588 -1.757 15.226 1.00 0.00 ATOM 238 C GLY A 31 44.704 -1.574 14.014 1.00 0.00 ATOM 239 N ASP A 32 44.751 -0.355 13.462 1.00 0.00 ATOM 240 CA ASP A 32 44.971 0.884 14.233 1.00 0.00 ATOM 241 CB ASP A 32 46.411 1.372 14.063 1.00 0.00 ATOM 242 CG ASP A 32 46.743 1.718 12.625 1.00 0.00 ATOM 243 OD1 ASP A 32 45.835 1.642 11.771 1.00 0.00 ATOM 244 OD2 ASP A 32 47.912 2.065 12.352 1.00 0.00 ATOM 245 O ASP A 32 44.242 3.175 14.320 1.00 0.00 ATOM 246 C ASP A 32 44.060 2.063 13.821 1.00 0.00 ATOM 247 N ARG A 33 43.096 1.863 12.907 1.00 0.00 ATOM 248 CA ARG A 33 42.304 2.945 12.268 1.00 0.00 ATOM 249 CB ARG A 33 41.192 2.354 11.400 1.00 0.00 ATOM 250 CG ARG A 33 40.337 3.393 10.693 1.00 0.00 ATOM 251 CD ARG A 33 39.299 2.738 9.797 1.00 0.00 ATOM 252 NE ARG A 33 38.449 3.723 9.132 1.00 0.00 ATOM 253 CZ ARG A 33 37.480 3.417 8.276 1.00 0.00 ATOM 254 NH1 ARG A 33 36.758 4.380 7.719 1.00 0.00 ATOM 255 NH2 ARG A 33 37.234 2.148 7.979 1.00 0.00 ATOM 256 O ARG A 33 41.737 5.099 13.173 1.00 0.00 ATOM 257 C ARG A 33 41.636 3.877 13.283 1.00 0.00 ATOM 258 N LEU A 34 41.009 3.286 14.296 1.00 0.00 ATOM 259 CA LEU A 34 40.431 3.962 15.459 1.00 0.00 ATOM 260 CB LEU A 34 38.929 3.684 15.548 1.00 0.00 ATOM 261 CG LEU A 34 38.085 4.130 14.353 1.00 0.00 ATOM 262 CD1 LEU A 34 36.640 3.685 14.519 1.00 0.00 ATOM 263 CD2 LEU A 34 38.103 5.645 14.216 1.00 0.00 ATOM 264 O LEU A 34 41.609 2.300 16.767 1.00 0.00 ATOM 265 C LEU A 34 41.125 3.436 16.736 1.00 0.00 ATOM 266 N ALA A 35 41.219 4.267 17.776 1.00 0.00 ATOM 267 CA ALA A 35 41.925 3.935 19.020 1.00 0.00 ATOM 268 CB ALA A 35 43.392 4.322 18.917 1.00 0.00 ATOM 269 O ALA A 35 40.802 5.771 20.092 1.00 0.00 ATOM 270 C ALA A 35 41.335 4.669 20.237 1.00 0.00 ATOM 271 N PHE A 36 41.497 4.078 21.427 1.00 0.00 ATOM 272 CA PHE A 36 41.000 4.551 22.732 1.00 0.00 ATOM 273 CB PHE A 36 41.472 5.982 22.999 1.00 0.00 ATOM 274 CG PHE A 36 42.962 6.111 23.144 1.00 0.00 ATOM 275 CD1 PHE A 36 43.749 6.467 22.063 1.00 0.00 ATOM 276 CD2 PHE A 36 43.576 5.877 24.362 1.00 0.00 ATOM 277 CE1 PHE A 36 45.119 6.587 22.197 1.00 0.00 ATOM 278 CE2 PHE A 36 44.946 5.996 24.496 1.00 0.00 ATOM 279 CZ PHE A 36 45.717 6.349 23.420 1.00 0.00 ATOM 280 O PHE A 36 38.757 4.451 21.821 1.00 0.00 ATOM 281 C PHE A 36 39.448 4.562 22.840 1.00 0.00 ATOM 282 N PRO A 37 38.864 4.639 24.059 1.00 0.00 ATOM 283 CA PRO A 37 37.411 4.588 24.263 1.00 0.00 ATOM 284 CB PRO A 37 37.237 4.868 25.757 1.00 0.00 ATOM 285 CG PRO A 37 38.506 4.387 26.378 1.00 0.00 ATOM 286 CD PRO A 37 39.602 4.745 25.414 1.00 0.00 ATOM 287 O PRO A 37 36.940 6.809 23.429 1.00 0.00 ATOM 288 C PRO A 37 36.623 5.618 23.437 1.00 0.00 ATOM 289 N ILE A 38 35.571 5.159 22.749 1.00 0.00 ATOM 290 CA ILE A 38 34.706 5.991 21.891 1.00 0.00 ATOM 291 CB ILE A 38 33.594 5.155 21.231 1.00 0.00 ATOM 292 CG1 ILE A 38 34.197 4.140 20.258 1.00 0.00 ATOM 293 CG2 ILE A 38 32.639 6.053 20.460 1.00 0.00 ATOM 294 CD1 ILE A 38 33.198 3.133 19.729 1.00 0.00 ATOM 295 O ILE A 38 33.714 6.901 23.899 1.00 0.00 ATOM 296 C ILE A 38 34.033 7.106 22.724 1.00 0.00 ATOM 297 N LYS A 39 33.886 8.295 22.109 1.00 0.00 ATOM 298 CA LYS A 39 33.537 9.623 22.675 1.00 0.00 ATOM 299 CB LYS A 39 32.549 9.469 23.833 1.00 0.00 ATOM 300 CG LYS A 39 31.191 8.923 23.422 1.00 0.00 ATOM 301 CD LYS A 39 30.253 8.822 24.613 1.00 0.00 ATOM 302 CE LYS A 39 28.896 8.273 24.203 1.00 0.00 ATOM 303 NZ LYS A 39 27.960 8.186 25.357 1.00 0.00 ATOM 304 O LYS A 39 34.695 11.624 23.313 1.00 0.00 ATOM 305 C LYS A 39 34.748 10.398 23.225 1.00 0.00 ATOM 306 N ASP A 40 35.852 9.710 23.525 1.00 0.00 ATOM 307 CA ASP A 40 37.117 10.271 24.037 1.00 0.00 ATOM 308 CB ASP A 40 37.276 9.962 25.527 1.00 0.00 ATOM 309 CG ASP A 40 38.387 10.765 26.173 1.00 0.00 ATOM 310 OD1 ASP A 40 38.493 11.975 25.881 1.00 0.00 ATOM 311 OD2 ASP A 40 39.152 10.186 26.972 1.00 0.00 ATOM 312 O ASP A 40 39.461 9.641 23.847 1.00 0.00 ATOM 313 C ASP A 40 38.352 9.688 23.302 1.00 0.00 ATOM 314 N GLY A 41 38.164 9.223 22.059 1.00 0.00 ATOM 315 CA GLY A 41 39.158 8.447 21.307 1.00 0.00 ATOM 316 O GLY A 41 40.105 10.520 20.488 1.00 0.00 ATOM 317 C GLY A 41 40.127 9.285 20.462 1.00 0.00 ATOM 318 N ILE A 42 40.984 8.591 19.706 1.00 0.00 ATOM 319 CA ILE A 42 42.042 9.165 18.859 1.00 0.00 ATOM 320 CB ILE A 42 43.440 8.914 19.454 1.00 0.00 ATOM 321 CG1 ILE A 42 43.505 9.424 20.895 1.00 0.00 ATOM 322 CG2 ILE A 42 44.503 9.634 18.639 1.00 0.00 ATOM 323 CD1 ILE A 42 43.345 10.923 21.020 1.00 0.00 ATOM 324 O ILE A 42 42.705 7.547 17.193 1.00 0.00 ATOM 325 C ILE A 42 41.990 8.523 17.452 1.00 0.00 ATOM 326 N PRO A 43 41.140 9.023 16.534 1.00 0.00 ATOM 327 CA PRO A 43 40.975 8.466 15.190 1.00 0.00 ATOM 328 CB PRO A 43 39.635 9.033 14.716 1.00 0.00 ATOM 329 CG PRO A 43 39.485 10.314 15.467 1.00 0.00 ATOM 330 CD PRO A 43 40.174 10.106 16.787 1.00 0.00 ATOM 331 O PRO A 43 42.393 10.066 14.065 1.00 0.00 ATOM 332 C PRO A 43 42.113 8.880 14.239 1.00 0.00 ATOM 333 N MET A 44 42.740 7.893 13.587 1.00 0.00 ATOM 334 CA MET A 44 43.682 8.027 12.457 1.00 0.00 ATOM 335 CB MET A 44 42.987 8.665 11.253 1.00 0.00 ATOM 336 CG MET A 44 41.842 7.841 10.688 1.00 0.00 ATOM 337 SD MET A 44 42.371 6.214 10.118 1.00 0.00 ATOM 338 CE MET A 44 43.329 6.658 8.671 1.00 0.00 ATOM 339 O MET A 44 45.732 8.999 11.699 1.00 0.00 ATOM 340 C MET A 44 44.958 8.881 12.650 1.00 0.00 ATOM 341 N MET A 45 45.236 9.440 13.832 1.00 0.00 ATOM 342 CA MET A 45 46.405 10.311 14.058 1.00 0.00 ATOM 343 CB MET A 45 46.295 11.015 15.412 1.00 0.00 ATOM 344 CG MET A 45 47.395 12.030 15.675 1.00 0.00 ATOM 345 SD MET A 45 47.231 12.835 17.280 1.00 0.00 ATOM 346 CE MET A 45 45.854 13.936 16.967 1.00 0.00 ATOM 347 O MET A 45 47.871 8.522 14.753 1.00 0.00 ATOM 348 C MET A 45 47.731 9.530 14.053 1.00 0.00 ATOM 349 N LEU A 46 48.714 10.019 13.292 1.00 0.00 ATOM 350 CA LEU A 46 50.082 9.487 13.179 1.00 0.00 ATOM 351 CB LEU A 46 50.261 8.748 11.852 1.00 0.00 ATOM 352 CG LEU A 46 49.358 7.534 11.624 1.00 0.00 ATOM 353 CD1 LEU A 46 49.516 7.004 10.207 1.00 0.00 ATOM 354 CD2 LEU A 46 49.708 6.414 12.592 1.00 0.00 ATOM 355 O LEU A 46 50.727 11.825 13.105 1.00 0.00 ATOM 356 C LEU A 46 51.095 10.656 13.246 1.00 0.00 ATOM 357 N GLU A 47 52.370 10.365 13.513 1.00 0.00 ATOM 358 CA GLU A 47 53.413 11.366 13.818 1.00 0.00 ATOM 359 CB GLU A 47 54.763 10.682 14.042 1.00 0.00 ATOM 360 CG GLU A 47 54.850 9.888 15.335 1.00 0.00 ATOM 361 CD GLU A 47 56.165 9.148 15.478 1.00 0.00 ATOM 362 OE1 GLU A 47 56.981 9.200 14.533 1.00 0.00 ATOM 363 OE2 GLU A 47 56.381 8.517 16.533 1.00 0.00 ATOM 364 O GLU A 47 53.940 13.579 13.032 1.00 0.00 ATOM 365 C GLU A 47 53.647 12.422 12.715 1.00 0.00 ATOM 366 N SER A 48 53.523 12.047 11.434 1.00 0.00 ATOM 367 CA SER A 48 53.773 12.927 10.270 1.00 0.00 ATOM 368 CB SER A 48 55.115 12.587 9.620 1.00 0.00 ATOM 369 OG SER A 48 55.115 11.265 9.110 1.00 0.00 ATOM 370 O SER A 48 52.780 13.624 8.186 1.00 0.00 ATOM 371 C SER A 48 52.725 12.844 9.141 1.00 0.00 ATOM 372 N GLU A 49 51.759 11.926 9.240 1.00 0.00 ATOM 373 CA GLU A 49 50.677 11.666 8.269 1.00 0.00 ATOM 374 CB GLU A 49 51.057 10.512 7.340 1.00 0.00 ATOM 375 CG GLU A 49 52.224 10.818 6.415 1.00 0.00 ATOM 376 CD GLU A 49 52.587 9.644 5.527 1.00 0.00 ATOM 377 OE1 GLU A 49 51.980 8.565 5.691 1.00 0.00 ATOM 378 OE2 GLU A 49 53.479 9.804 4.667 1.00 0.00 ATOM 379 O GLU A 49 49.266 11.536 10.230 1.00 0.00 ATOM 380 C GLU A 49 49.373 11.292 9.024 1.00 0.00 ATOM 381 N ALA A 50 48.398 10.659 8.360 1.00 0.00 ATOM 382 CA ALA A 50 47.442 9.776 9.039 1.00 0.00 ATOM 383 CB ALA A 50 46.100 9.799 8.324 1.00 0.00 ATOM 384 O ALA A 50 48.968 7.988 8.417 1.00 0.00 ATOM 385 C ALA A 50 47.963 8.319 9.055 1.00 0.00 ATOM 386 N ARG A 51 47.264 7.423 9.767 1.00 0.00 ATOM 387 CA ARG A 51 47.610 5.985 9.873 1.00 0.00 ATOM 388 CB ARG A 51 46.686 5.284 10.870 1.00 0.00 ATOM 389 CG ARG A 51 46.915 5.686 12.318 1.00 0.00 ATOM 390 CD ARG A 51 45.957 4.963 13.251 1.00 0.00 ATOM 391 NE ARG A 51 46.144 5.361 14.644 1.00 0.00 ATOM 392 CZ ARG A 51 47.071 4.852 15.449 1.00 0.00 ATOM 393 NH1 ARG A 51 47.166 5.276 16.701 1.00 0.00 ATOM 394 NH2 ARG A 51 47.900 3.921 14.999 1.00 0.00 ATOM 395 O ARG A 51 48.078 4.129 8.433 1.00 0.00 ATOM 396 C ARG A 51 47.494 5.207 8.551 1.00 0.00 ATOM 397 N GLU A 52 46.779 5.748 7.560 1.00 0.00 ATOM 398 CA GLU A 52 46.652 5.172 6.206 1.00 0.00 ATOM 399 CB GLU A 52 45.228 4.664 5.971 1.00 0.00 ATOM 400 CG GLU A 52 44.834 3.490 6.852 1.00 0.00 ATOM 401 CD GLU A 52 43.431 2.993 6.567 1.00 0.00 ATOM 402 OE1 GLU A 52 42.729 3.628 5.752 1.00 0.00 ATOM 403 OE2 GLU A 52 43.032 1.969 7.160 1.00 0.00 ATOM 404 O GLU A 52 47.805 5.909 4.232 1.00 0.00 ATOM 405 C GLU A 52 46.962 6.187 5.088 1.00 0.00 ATOM 406 N LEU A 53 46.297 7.354 5.088 1.00 0.00 ATOM 407 CA LEU A 53 46.419 8.405 4.059 1.00 0.00 ATOM 408 CB LEU A 53 45.128 8.511 3.245 1.00 0.00 ATOM 409 CG LEU A 53 44.734 7.274 2.435 1.00 0.00 ATOM 410 CD1 LEU A 53 43.354 7.452 1.819 1.00 0.00 ATOM 411 CD2 LEU A 53 45.728 7.030 1.310 1.00 0.00 ATOM 412 O LEU A 53 47.675 9.925 5.450 1.00 0.00 ATOM 413 C LEU A 53 46.697 9.784 4.711 1.00 0.00 ATOM 414 N ALA A 54 45.851 10.793 4.458 1.00 0.00 ATOM 415 CA ALA A 54 45.859 12.106 5.121 1.00 0.00 ATOM 416 CB ALA A 54 46.829 13.047 4.423 1.00 0.00 ATOM 417 O ALA A 54 44.097 13.313 6.203 1.00 0.00 ATOM 418 C ALA A 54 44.480 12.825 5.134 1.00 0.00 ATOM 419 N PRO A 55 43.708 12.911 4.020 1.00 0.00 ATOM 420 CA PRO A 55 42.479 13.722 3.957 1.00 0.00 ATOM 421 CB PRO A 55 41.978 13.524 2.525 1.00 0.00 ATOM 422 CG PRO A 55 43.206 13.203 1.741 1.00 0.00 ATOM 423 CD PRO A 55 44.070 12.367 2.643 1.00 0.00 ATOM 424 O PRO A 55 40.588 14.188 5.361 1.00 0.00 ATOM 425 C PRO A 55 41.368 13.331 4.944 1.00 0.00 ATOM 426 N GLU A 56 41.275 12.051 5.323 1.00 0.00 ATOM 427 CA GLU A 56 40.210 11.548 6.207 1.00 0.00 ATOM 428 CB GLU A 56 40.351 10.038 6.411 1.00 0.00 ATOM 429 CG GLU A 56 40.012 9.211 5.182 1.00 0.00 ATOM 430 CD GLU A 56 40.254 7.730 5.391 1.00 0.00 ATOM 431 OE1 GLU A 56 40.753 7.356 6.474 1.00 0.00 ATOM 432 OE2 GLU A 56 39.944 6.941 4.473 1.00 0.00 ATOM 433 O GLU A 56 39.153 12.293 8.219 1.00 0.00 ATOM 434 C GLU A 56 40.214 12.186 7.607 1.00 0.00 ATOM 435 N GLU A 57 41.365 12.658 8.102 1.00 0.00 ATOM 436 CA GLU A 57 41.441 13.408 9.366 1.00 0.00 ATOM 437 CB GLU A 57 42.887 13.810 9.665 1.00 0.00 ATOM 438 CG GLU A 57 43.066 14.552 10.979 1.00 0.00 ATOM 439 CD GLU A 57 44.514 14.903 11.257 1.00 0.00 ATOM 440 OE1 GLU A 57 45.380 14.554 10.427 1.00 0.00 ATOM 441 OE2 GLU A 57 44.784 15.527 12.305 1.00 0.00 ATOM 442 O GLU A 57 39.809 14.955 10.220 1.00 0.00 ATOM 443 C GLU A 57 40.596 14.691 9.312 1.00 0.00 ATOM 444 N GLU A 58 40.729 15.479 8.239 1.00 0.00 ATOM 445 CA GLU A 58 39.974 16.724 8.036 1.00 0.00 ATOM 446 CB GLU A 58 40.482 17.463 6.796 1.00 0.00 ATOM 447 CG GLU A 58 41.871 18.060 6.955 1.00 0.00 ATOM 448 CD GLU A 58 42.390 18.675 5.671 1.00 0.00 ATOM 449 OE1 GLU A 58 41.695 18.571 4.638 1.00 0.00 ATOM 450 OE2 GLU A 58 43.493 19.262 5.697 1.00 0.00 ATOM 451 O GLU A 58 37.638 17.133 8.438 1.00 0.00 ATOM 452 C GLU A 58 38.474 16.452 7.840 1.00 0.00 ATOM 453 N VAL A 59 38.126 15.427 7.051 1.00 0.00 ATOM 454 CA VAL A 59 36.732 14.994 6.835 1.00 0.00 ATOM 455 CB VAL A 59 36.659 13.769 5.904 1.00 0.00 ATOM 456 CG1 VAL A 59 35.241 13.221 5.855 1.00 0.00 ATOM 457 CG2 VAL A 59 37.077 14.149 4.491 1.00 0.00 ATOM 458 O VAL A 59 34.955 15.065 8.447 1.00 0.00 ATOM 459 C VAL A 59 36.065 14.610 8.162 1.00 0.00 ATOM 460 N LYS A 60 36.735 13.799 8.992 1.00 0.00 ATOM 461 CA LYS A 60 36.216 13.340 10.291 1.00 0.00 ATOM 462 CB LYS A 60 37.093 12.219 10.852 1.00 0.00 ATOM 463 CG LYS A 60 36.984 10.907 10.093 1.00 0.00 ATOM 464 CD LYS A 60 37.875 9.839 10.706 1.00 0.00 ATOM 465 CE LYS A 60 37.793 8.537 9.926 1.00 0.00 ATOM 466 NZ LYS A 60 38.680 7.488 10.501 1.00 0.00 ATOM 467 O LYS A 60 35.190 14.567 12.058 1.00 0.00 ATOM 468 C LYS A 60 36.180 14.462 11.337 1.00 0.00 ATOM 469 N LEU A 61 37.155 15.378 11.356 1.00 0.00 ATOM 470 CA LEU A 61 37.081 16.620 12.146 1.00 0.00 ATOM 471 CB LEU A 61 38.306 17.497 11.881 1.00 0.00 ATOM 472 CG LEU A 61 39.641 16.979 12.421 1.00 0.00 ATOM 473 CD1 LEU A 61 40.791 17.846 11.935 1.00 0.00 ATOM 474 CD2 LEU A 61 39.646 16.990 13.942 1.00 0.00 ATOM 475 O LEU A 61 35.166 17.944 12.720 1.00 0.00 ATOM 476 C LEU A 61 35.831 17.457 11.807 1.00 0.00 ATOM 477 N GLU A 62 35.458 17.567 10.528 1.00 0.00 ATOM 478 CA GLU A 62 34.207 18.205 10.073 1.00 0.00 ATOM 479 CB GLU A 62 34.249 18.450 8.563 1.00 0.00 ATOM 480 CG GLU A 62 35.268 19.492 8.132 1.00 0.00 ATOM 481 CD GLU A 62 35.385 19.602 6.624 1.00 0.00 ATOM 482 OE1 GLU A 62 34.708 18.826 5.917 1.00 0.00 ATOM 483 OE2 GLU A 62 36.154 20.465 6.150 1.00 0.00 ATOM 484 O GLU A 62 31.831 17.758 9.909 1.00 0.00 ATOM 485 C GLU A 62 32.921 17.374 10.344 1.00 0.00 ATOM 486 N HIS A 63 33.022 16.272 11.099 1.00 0.00 ATOM 487 CA HIS A 63 31.899 15.547 11.715 1.00 0.00 ATOM 488 CB HIS A 63 31.900 14.082 11.273 1.00 0.00 ATOM 489 CG HIS A 63 31.695 13.895 9.802 1.00 0.00 ATOM 490 CD2 HIS A 63 32.524 13.468 8.684 1.00 0.00 ATOM 491 ND1 HIS A 63 30.489 14.140 9.181 1.00 0.00 ATOM 492 CE1 HIS A 63 30.613 13.883 7.867 1.00 0.00 ATOM 493 NE2 HIS A 63 31.831 13.480 7.561 1.00 0.00 ATOM 494 O HIS A 63 30.926 15.632 13.916 1.00 0.00 ATOM 495 C HIS A 63 31.968 15.568 13.257 1.00 0.00 ATOM 496 N HIS A 64 33.171 15.579 13.846 1.00 0.00 ATOM 497 CA HIS A 64 33.386 15.818 15.280 1.00 0.00 ATOM 498 CB HIS A 64 34.867 15.669 15.632 1.00 0.00 ATOM 499 CG HIS A 64 35.347 14.250 15.640 1.00 0.00 ATOM 500 CD2 HIS A 64 35.539 13.225 16.655 1.00 0.00 ATOM 501 ND1 HIS A 64 35.744 13.592 14.496 1.00 0.00 ATOM 502 CE1 HIS A 64 36.118 12.341 14.818 1.00 0.00 ATOM 503 NE2 HIS A 64 35.998 12.114 16.112 1.00 0.00 ATOM 504 O HIS A 64 32.411 17.423 16.800 1.00 0.00 ATOM 505 C HIS A 64 32.945 17.237 15.702 1.00 0.00 ATOM 506 N HIS A 65 33.156 18.228 14.826 1.00 0.00 ATOM 507 CA HIS A 65 32.851 19.649 15.021 1.00 0.00 ATOM 508 CB HIS A 65 34.134 20.442 15.280 1.00 0.00 ATOM 509 CG HIS A 65 34.849 20.041 16.532 1.00 0.00 ATOM 510 CD2 HIS A 65 36.004 19.212 16.848 1.00 0.00 ATOM 511 ND1 HIS A 65 34.457 20.467 17.782 1.00 0.00 ATOM 512 CE1 HIS A 65 35.288 19.945 18.703 1.00 0.00 ATOM 513 NE2 HIS A 65 36.218 19.191 18.150 1.00 0.00 ATOM 514 O HIS A 65 32.389 19.837 12.654 1.00 0.00 ATOM 515 C HIS A 65 32.161 20.268 13.789 1.00 0.00 ATOM 516 N HIS A 66 31.345 21.306 14.015 1.00 0.00 ATOM 517 CA HIS A 66 30.607 22.031 12.967 1.00 0.00 ATOM 518 CB HIS A 66 29.128 21.638 12.984 1.00 0.00 ATOM 519 CG HIS A 66 28.320 22.282 11.901 1.00 0.00 ATOM 520 CD2 HIS A 66 27.343 23.360 11.835 1.00 0.00 ATOM 521 ND1 HIS A 66 28.391 21.886 10.583 1.00 0.00 ATOM 522 CE1 HIS A 66 27.556 22.645 9.852 1.00 0.00 ATOM 523 NE2 HIS A 66 26.924 23.531 10.596 1.00 0.00 ATOM 524 O HIS A 66 31.295 24.243 12.320 1.00 0.00 ATOM 525 C HIS A 66 30.677 23.560 13.142 1.00 0.00 ATOM 526 N HIS A 67 30.062 24.100 14.204 1.00 0.00 ATOM 527 CA HIS A 67 29.920 25.543 14.453 1.00 0.00 ATOM 528 CB HIS A 67 28.514 26.016 14.077 1.00 0.00 ATOM 529 CG HIS A 67 28.306 27.488 14.248 1.00 0.00 ATOM 530 CD2 HIS A 67 27.652 28.337 15.234 1.00 0.00 ATOM 531 ND1 HIS A 67 28.782 28.417 13.348 1.00 0.00 ATOM 532 CE1 HIS A 67 28.442 29.648 13.768 1.00 0.00 ATOM 533 NE2 HIS A 67 27.763 29.608 14.899 1.00 0.00 ATOM 534 O HIS A 67 29.313 25.567 16.791 1.00 0.00 ATOM 535 C HIS A 67 30.157 25.866 15.939 1.00 0.00 ATOM 536 N HIS A 68 31.316 26.458 16.251 1.00 0.00 ATOM 537 CA HIS A 68 31.794 26.694 17.623 1.00 0.00 ATOM 538 CB HIS A 68 32.895 25.695 17.986 1.00 0.00 ATOM 539 CG HIS A 68 32.465 24.264 17.896 1.00 0.00 ATOM 540 CD2 HIS A 68 32.660 23.179 16.945 1.00 0.00 ATOM 541 ND1 HIS A 68 31.691 23.657 18.861 1.00 0.00 ATOM 542 CE1 HIS A 68 31.471 22.378 18.505 1.00 0.00 ATOM 543 NE2 HIS A 68 32.049 22.085 17.356 1.00 0.00 ATOM 544 O HIS A 68 33.592 28.312 17.848 1.00 0.00 ATOM 545 C HIS A 68 32.374 28.120 17.786 1.00 0.00 ENDMDL