EXPDTA nFOLD_TS4-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called nFOLD_TS4-scwrl ATOM 1 N MET A 1 -9.933 -4.346 6.963 1.00 0.00 ATOM 2 CA MET A 1 -10.667 -5.516 6.531 1.00 0.00 ATOM 3 CB MET A 1 -12.060 -5.538 7.163 1.00 0.00 ATOM 4 CG MET A 1 -12.057 -5.772 8.665 1.00 0.00 ATOM 5 SD MET A 1 -13.711 -5.725 9.380 1.00 0.00 ATOM 6 CE MET A 1 -14.352 -7.313 8.856 1.00 0.00 ATOM 7 O MET A 1 -10.877 -4.381 4.442 1.00 0.00 ATOM 8 C MET A 1 -10.799 -5.471 5.013 1.00 0.00 ATOM 9 N ASP A 2 -10.799 -6.636 4.333 1.00 0.00 ATOM 10 CA ASP A 2 -10.951 -6.705 2.871 1.00 0.00 ATOM 11 CB ASP A 2 -11.130 -8.156 2.419 1.00 0.00 ATOM 12 CG ASP A 2 -9.858 -8.969 2.554 1.00 0.00 ATOM 13 OD1 ASP A 2 -8.792 -8.368 2.804 1.00 0.00 ATOM 14 OD2 ASP A 2 -9.927 -10.208 2.409 1.00 0.00 ATOM 15 O ASP A 2 -12.193 -5.502 1.210 1.00 0.00 ATOM 16 C ASP A 2 -12.161 -5.920 2.360 1.00 0.00 ATOM 17 N ALA A 3 -13.139 -5.702 3.234 1.00 0.00 ATOM 18 CA ALA A 3 -14.328 -4.931 2.888 1.00 0.00 ATOM 19 CB ALA A 3 -15.344 -4.987 4.019 1.00 0.00 ATOM 20 O ALA A 3 -14.665 -2.777 1.870 1.00 0.00 ATOM 21 C ALA A 3 -13.985 -3.462 2.632 1.00 0.00 ATOM 22 N LYS A 4 -12.925 -2.978 3.272 1.00 0.00 ATOM 23 CA LYS A 4 -12.478 -1.600 3.079 1.00 0.00 ATOM 24 CB LYS A 4 -12.084 -0.972 4.417 1.00 0.00 ATOM 25 CG LYS A 4 -13.238 -0.817 5.394 1.00 0.00 ATOM 26 CD LYS A 4 -12.772 -0.207 6.706 1.00 0.00 ATOM 27 CE LYS A 4 -13.928 -0.046 7.681 1.00 0.00 ATOM 28 NZ LYS A 4 -13.502 0.623 8.941 1.00 0.00 ATOM 29 O LYS A 4 -10.852 -0.499 1.694 1.00 0.00 ATOM 30 C LYS A 4 -11.272 -1.560 2.153 1.00 0.00 ATOM 31 N PHE A 5 -10.697 -2.725 1.911 1.00 0.00 ATOM 32 CA PHE A 5 -9.612 -2.861 0.951 1.00 0.00 ATOM 33 CB PHE A 5 -8.594 -3.896 1.435 1.00 0.00 ATOM 34 CG PHE A 5 -7.889 -3.505 2.702 1.00 0.00 ATOM 35 CD1 PHE A 5 -8.261 -4.053 3.917 1.00 0.00 ATOM 36 CD2 PHE A 5 -6.852 -2.588 2.679 1.00 0.00 ATOM 37 CE1 PHE A 5 -7.612 -3.694 5.083 1.00 0.00 ATOM 38 CE2 PHE A 5 -6.202 -2.229 3.845 1.00 0.00 ATOM 39 CZ PHE A 5 -6.578 -2.777 5.043 1.00 0.00 ATOM 40 O PHE A 5 -9.406 -3.581 -1.325 1.00 0.00 ATOM 41 C PHE A 5 -10.161 -3.310 -0.393 1.00 0.00 ATOM 42 N LEU A 6 -11.486 -3.383 -0.476 1.00 0.00 ATOM 43 CA LEU A 6 -12.175 -3.833 -1.685 1.00 0.00 ATOM 44 CB LEU A 6 -13.691 -3.799 -1.482 1.00 0.00 ATOM 45 CG LEU A 6 -14.544 -4.261 -2.665 1.00 0.00 ATOM 46 CD1 LEU A 6 -14.245 -5.713 -3.008 1.00 0.00 ATOM 47 CD2 LEU A 6 -16.025 -4.146 -2.338 1.00 0.00 ATOM 48 O LEU A 6 -11.626 -3.410 -3.976 1.00 0.00 ATOM 49 C LEU A 6 -11.828 -2.935 -2.863 1.00 0.00 ATOM 50 N GLU A 7 -11.742 -1.634 -2.601 1.00 0.00 ATOM 51 CA GLU A 7 -11.333 -0.671 -3.619 1.00 0.00 ATOM 52 CB GLU A 7 -11.294 0.742 -3.034 1.00 0.00 ATOM 53 CG GLU A 7 -12.663 1.325 -2.726 1.00 0.00 ATOM 54 CD GLU A 7 -12.581 2.672 -2.036 1.00 0.00 ATOM 55 OE1 GLU A 7 -11.454 3.117 -1.733 1.00 0.00 ATOM 56 OE2 GLU A 7 -13.644 3.284 -1.799 1.00 0.00 ATOM 57 O GLU A 7 -9.681 -0.904 -5.352 1.00 0.00 ATOM 58 C GLU A 7 -9.943 -1.009 -4.153 1.00 0.00 ATOM 59 N ILE A 8 -9.065 -1.438 -3.254 1.00 0.00 ATOM 60 CA ILE A 8 -7.708 -1.818 -3.627 1.00 0.00 ATOM 61 CB ILE A 8 -6.832 -2.074 -2.386 1.00 0.00 ATOM 62 CG1 ILE A 8 -6.598 -0.770 -1.621 1.00 0.00 ATOM 63 CG2 ILE A 8 -5.482 -2.642 -2.795 1.00 0.00 ATOM 64 CD1 ILE A 8 -5.974 -0.967 -0.257 1.00 0.00 ATOM 65 O ILE A 8 -7.046 -3.209 -5.474 1.00 0.00 ATOM 66 C ILE A 8 -7.736 -3.093 -4.461 1.00 0.00 ATOM 67 N LEU A 9 -8.562 -4.042 -4.033 1.00 0.00 ATOM 68 CA LEU A 9 -8.719 -5.304 -4.743 1.00 0.00 ATOM 69 CB LEU A 9 -9.612 -6.259 -3.948 1.00 0.00 ATOM 70 CG LEU A 9 -9.037 -6.787 -2.632 1.00 0.00 ATOM 71 CD1 LEU A 9 -10.081 -7.594 -1.875 1.00 0.00 ATOM 72 CD2 LEU A 9 -7.838 -7.685 -2.891 1.00 0.00 ATOM 73 O LEU A 9 -9.081 -5.803 -7.065 1.00 0.00 ATOM 74 C LEU A 9 -9.357 -5.077 -6.111 1.00 0.00 ATOM 75 N VAL 10 -10.213 -4.063 -6.196 1.00 0.00 ATOM 76 CA VAL 10 -10.881 -3.714 -7.443 1.00 0.00 ATOM 77 C LYS 15 -7.158 -4.072 -7.198 1.00 0.00 ATOM 78 N GLY A 16 -6.931 -4.158 -8.610 1.00 0.00 ATOM 79 CA GLY A 16 -6.221 -5.386 -8.974 1.00 0.00 ATOM 80 O GLY A 16 -4.271 -4.959 -10.332 1.00 0.00 ATOM 81 C GLY A 16 -4.730 -5.133 -9.200 1.00 0.00 ATOM 82 N PRO A 17 -3.957 -5.070 -8.109 1.00 0.00 ATOM 83 CA PRO A 17 -2.515 -4.945 -8.172 1.00 0.00 ATOM 84 CB PRO A 17 -2.165 -4.083 -6.957 1.00 0.00 ATOM 85 CG PRO A 17 -3.151 -4.489 -5.914 1.00 0.00 ATOM 86 CD PRO A 17 -4.446 -4.731 -6.637 1.00 0.00 ATOM 87 O PRO A 17 -2.469 -7.347 -7.981 1.00 0.00 ATOM 88 C PRO A 17 -1.820 -6.304 -8.100 1.00 0.00 ATOM 89 N LEU A 18 -0.501 -6.290 -8.181 1.00 0.00 ATOM 90 CA LEU A 18 0.281 -7.504 -8.033 1.00 0.00 ATOM 91 CB LEU A 18 1.424 -7.533 -9.050 1.00 0.00 ATOM 92 CG LEU A 18 1.018 -7.551 -10.525 1.00 0.00 ATOM 93 CD1 LEU A 18 2.243 -7.450 -11.421 1.00 0.00 ATOM 94 CD2 LEU A 18 0.285 -8.840 -10.865 1.00 0.00 ATOM 95 O LEU A 18 0.834 -8.608 -5.968 1.00 0.00 ATOM 96 C LEU A 18 0.870 -7.569 -6.632 1.00 0.00 ATOM 97 N VAL A 19 1.397 -6.441 -6.186 1.00 0.00 ATOM 98 CA VAL A 19 1.982 -6.339 -4.860 1.00 0.00 ATOM 99 CB VAL A 19 3.518 -6.256 -4.926 1.00 0.00 ATOM 100 CG1 VAL A 19 4.104 -6.100 -3.531 1.00 0.00 ATOM 101 CG2 VAL A 19 4.094 -7.517 -5.551 1.00 0.00 ATOM 102 O VAL A 19 1.297 -4.036 -4.784 1.00 0.00 ATOM 103 C VAL A 19 1.466 -5.085 -4.158 1.00 0.00 ATOM 104 N PHE 20 1.179 -5.204 -2.871 1.00 0.00 ATOM 105 CA PHE 20 0.666 -4.087 -2.097 1.00 0.00 ATOM 106 C LEU 27 1.939 -1.517 1.004 1.00 0.00 ATOM 107 N ILE A 28 2.080 -1.748 2.258 1.00 0.00 ATOM 108 CA ILE A 28 1.369 -1.039 3.303 1.00 0.00 ATOM 109 CB ILE A 28 0.506 -1.995 4.147 1.00 0.00 ATOM 110 CG1 ILE A 28 -0.540 -2.685 3.269 1.00 0.00 ATOM 111 CG2 ILE A 28 -0.216 -1.231 5.246 1.00 0.00 ATOM 112 CD1 ILE A 28 -1.285 -3.800 3.968 1.00 0.00 ATOM 113 O ILE A 28 3.149 -1.003 4.910 1.00 0.00 ATOM 114 C ILE A 28 2.355 -0.349 4.232 1.00 0.00 ATOM 115 N CYS A 29 2.311 0.971 4.239 1.00 0.00 ATOM 116 CA CYS A 29 3.157 1.735 5.125 1.00 0.00 ATOM 117 CB CYS A 29 3.555 3.061 4.474 1.00 0.00 ATOM 118 SG CYS A 29 2.171 4.176 4.144 1.00 0.00 ATOM 119 O CYS A 29 1.385 2.657 6.420 1.00 0.00 ATOM 120 C CYS A 29 2.448 2.043 6.423 1.00 0.00 ATOM 121 N LYS A 30 3.029 1.608 7.528 1.00 0.00 ATOM 122 CA LYS A 30 2.433 1.807 8.842 1.00 0.00 ATOM 123 CB LYS A 30 2.649 0.573 9.721 1.00 0.00 ATOM 124 CG LYS A 30 2.030 -0.700 9.166 1.00 0.00 ATOM 125 CD LYS A 30 0.516 -0.587 9.084 1.00 0.00 ATOM 126 CE LYS A 30 -0.107 -1.880 8.583 1.00 0.00 ATOM 127 NZ LYS A 30 -1.583 -1.761 8.430 1.00 0.00 ATOM 128 O LYS A 30 3.185 3.024 10.779 1.00 0.00 ATOM 129 C LYS A 30 3.052 3.009 9.553 1.00 0.00 ATOM 130 N GLY A 31 3.377 4.038 8.777 1.00 0.00 ATOM 131 CA GLY A 31 4.072 5.192 9.304 1.00 0.00 ATOM 132 O GLY A 31 6.291 4.310 9.469 1.00 0.00 ATOM 133 C GLY A 31 5.333 4.822 10.054 1.00 0.00 ATOM 134 N ASP A 32 5.323 5.093 11.348 1.00 0.00 ATOM 135 CA ASP A 32 6.426 4.750 12.234 1.00 0.00 ATOM 136 CB ASP A 32 6.926 5.993 12.973 1.00 0.00 ATOM 137 CG ASP A 32 5.865 6.608 13.863 1.00 0.00 ATOM 138 OD1 ASP A 32 4.743 6.060 13.916 1.00 0.00 ATOM 139 OD2 ASP A 32 6.154 7.638 14.508 1.00 0.00 ATOM 140 O ASP A 32 6.735 3.273 14.108 1.00 0.00 ATOM 141 C ASP A 32 5.964 3.723 13.259 1.00 0.00 ATOM 142 N ARG A 33 4.697 3.355 13.163 1.00 0.00 ATOM 143 CA ARG A 33 4.065 2.509 14.156 1.00 0.00 ATOM 144 CB ARG A 33 2.780 3.159 14.674 1.00 0.00 ATOM 145 CG ARG A 33 3.006 4.440 15.461 1.00 0.00 ATOM 146 CD ARG A 33 1.688 5.075 15.870 1.00 0.00 ATOM 147 NE ARG A 33 1.882 6.193 16.792 1.00 0.00 ATOM 148 CZ ARG A 33 2.250 7.414 16.418 1.00 0.00 ATOM 149 NH1 ARG A 33 2.402 8.367 17.327 1.00 0.00 ATOM 150 NH2 ARG A 33 2.466 7.678 15.137 1.00 0.00 ATOM 151 O ARG A 33 2.577 0.902 13.164 1.00 0.00 ATOM 152 C ARG A 33 3.723 1.164 13.529 1.00 0.00 ATOM 153 N LEU A 34 4.744 0.330 13.391 1.00 0.00 ATOM 154 CA LEU A 34 4.633 -0.917 12.650 1.00 0.00 ATOM 155 CB LEU A 34 6.000 -1.593 12.531 1.00 0.00 ATOM 156 CG LEU A 34 6.048 -2.887 11.716 1.00 0.00 ATOM 157 CD1 LEU A 34 5.723 -2.614 10.255 1.00 0.00 ATOM 158 CD2 LEU A 34 7.431 -3.516 11.786 1.00 0.00 ATOM 159 O LEU A 34 3.890 -2.284 14.486 1.00 0.00 ATOM 160 C LEU A 34 3.687 -1.900 13.332 1.00 0.00 ATOM 161 N ALA A 35 2.657 -2.293 12.603 1.00 0.00 ATOM 162 CA ALA A 35 1.697 -3.269 13.077 1.00 0.00 ATOM 163 CB ALA A 35 0.546 -2.577 13.792 1.00 0.00 ATOM 164 O ALA A 35 0.888 -3.480 10.831 1.00 0.00 ATOM 165 C ALA A 35 1.150 -4.051 11.888 1.00 0.00 ATOM 166 N PHE A 36 1.010 -5.355 12.055 1.00 0.00 ATOM 167 CA PHE A 36 0.609 -6.227 10.961 1.00 0.00 ATOM 168 CB PHE A 36 1.125 -7.649 11.192 1.00 0.00 ATOM 169 CG PHE A 36 2.617 -7.778 11.077 1.00 0.00 ATOM 170 CD1 PHE A 36 3.416 -7.778 12.207 1.00 0.00 ATOM 171 CD2 PHE A 36 3.222 -7.899 9.838 1.00 0.00 ATOM 172 CE1 PHE A 36 4.789 -7.897 12.101 1.00 0.00 ATOM 173 CE2 PHE A 36 4.595 -8.018 9.731 1.00 0.00 ATOM 174 CZ PHE A 36 5.378 -8.017 10.856 1.00 0.00 ATOM 175 O PHE A 36 -1.628 -6.296 11.831 1.00 0.00 ATOM 176 C PHE A 36 -0.907 -6.294 10.830 1.00 0.00 ATOM 177 N PRO A 37 -1.404 -6.339 9.583 1.00 0.00 ATOM 178 CA PRO A 37 -2.840 -6.422 9.289 1.00 0.00 ATOM 179 CB PRO A 37 -2.909 -6.371 7.761 1.00 0.00 ATOM 180 CG PRO A 37 -1.663 -7.056 7.309 1.00 0.00 ATOM 181 CD PRO A 37 -0.575 -6.603 8.241 1.00 0.00 ATOM 182 O PRO A 37 -2.768 -8.676 10.113 1.00 0.00 ATOM 183 C PRO A 37 -3.467 -7.704 9.818 1.00 0.00 ATOM 184 N ILE A 38 -3.877 -14.050 -0.102 1.00 0.00 ATOM 185 CA ILE A 38 -3.232 -15.318 -0.434 1.00 0.00 ATOM 186 CB ILE A 38 -3.207 -16.272 0.775 1.00 0.00 ATOM 187 CG1 ILE A 38 -2.280 -15.728 1.864 1.00 0.00 ATOM 188 CG2 ILE A 38 -2.706 -17.646 0.358 1.00 0.00 ATOM 189 CD1 ILE A 38 -2.398 -16.456 3.185 1.00 0.00 ATOM 190 O ILE A 38 -3.347 -16.524 -2.506 1.00 0.00 ATOM 191 C ILE A 38 -3.970 -16.026 -1.567 1.00 0.00 ATOM 192 N LYS A 39 -5.294 -16.050 -1.486 1.00 0.00 ATOM 193 CA LYS A 39 -6.111 -16.739 -2.477 1.00 0.00 ATOM 194 CB LYS A 39 -7.591 -16.664 -2.097 1.00 0.00 ATOM 195 CG LYS A 39 -7.964 -17.500 -0.884 1.00 0.00 ATOM 196 CD LYS A 39 -9.445 -17.381 -0.565 1.00 0.00 ATOM 197 CE LYS A 39 -9.813 -18.198 0.663 1.00 0.00 ATOM 198 NZ LYS A 39 -11.255 -18.065 1.007 1.00 0.00 ATOM 199 O LYS A 39 -5.877 -16.835 -4.871 1.00 0.00 ATOM 200 C LYS A 39 -5.952 -16.120 -3.868 1.00 0.00 ATOM 201 N ASP A 40 -5.874 -14.793 -3.925 1.00 0.00 ATOM 202 CA ASP A 40 -5.685 -14.099 -5.197 1.00 0.00 ATOM 203 CB ASP A 40 -6.107 -12.633 -5.075 1.00 0.00 ATOM 204 CG ASP A 40 -7.610 -12.466 -4.969 1.00 0.00 ATOM 205 OD1 ASP A 40 -8.337 -13.442 -5.249 1.00 0.00 ATOM 206 OD2 ASP A 40 -8.060 -11.359 -4.606 1.00 0.00 ATOM 207 O ASP A 40 -3.915 -13.941 -6.812 1.00 0.00 ATOM 208 C ASP A 40 -4.224 -14.135 -5.636 1.00 0.00 ATOM 209 N GLY A 41 -3.332 -14.387 -4.689 1.00 0.00 ATOM 210 CA GLY A 41 -1.913 -14.373 -4.984 1.00 0.00 ATOM 211 O GLY A 41 -0.370 -12.635 -5.549 1.00 0.00 ATOM 212 C GLY A 41 -1.338 -12.977 -4.872 1.00 0.00 ATOM 213 N ILE A 42 -1.946 -12.171 -4.015 1.00 0.00 ATOM 214 CA ILE A 42 -1.531 -10.792 -3.830 1.00 0.00 ATOM 215 CB ILE A 42 -2.702 -9.908 -3.362 1.00 0.00 ATOM 216 CG1 ILE A 42 -3.819 -9.905 -4.408 1.00 0.00 ATOM 217 CG2 ILE A 42 -2.237 -8.476 -3.150 1.00 0.00 ATOM 218 CD1 ILE A 42 -5.115 -9.301 -3.915 1.00 0.00 ATOM 219 O ILE A 42 -0.578 -11.217 -1.669 1.00 0.00 ATOM 220 C ILE A 42 -0.430 -10.707 -2.782 1.00 0.00 ATOM 221 N PRO A 43 3.794 -5.495 4.779 1.00 0.00 ATOM 222 CA PRO A 43 3.631 -4.484 5.813 1.00 0.00 ATOM 223 CB PRO A 43 2.918 -5.225 6.946 1.00 0.00 ATOM 224 CG PRO A 43 2.197 -6.341 6.267 1.00 0.00 ATOM 225 CD PRO A 43 3.107 -6.818 5.170 1.00 0.00 ATOM 226 O PRO A 43 5.780 -4.660 6.873 1.00 0.00 ATOM 227 C PRO A 43 4.986 -3.944 6.261 1.00 0.00 ATOM 228 N MET A 44 5.245 -2.684 5.948 1.00 0.00 ATOM 229 CA MET A 44 6.504 -2.040 6.307 1.00 0.00 ATOM 230 CB MET A 44 7.386 -1.862 5.070 1.00 0.00 ATOM 231 CG MET A 44 7.771 -3.165 4.389 1.00 0.00 ATOM 232 SD MET A 44 8.875 -4.176 5.394 1.00 0.00 ATOM 233 CE MET A 44 10.389 -3.224 5.298 1.00 0.00 ATOM 234 O MET A 44 5.091 -0.267 7.090 1.00 0.00 ATOM 235 C MET A 44 6.242 -0.671 6.915 1.00 0.00 ATOM 236 N MET A 45 7.309 0.033 7.246 1.00 0.00 ATOM 237 CA MET A 45 7.208 1.426 7.633 1.00 0.00 ATOM 238 CB MET A 45 8.344 1.801 8.587 1.00 0.00 ATOM 239 CG MET A 45 8.261 1.126 9.946 1.00 0.00 ATOM 240 SD MET A 45 9.647 1.549 11.019 1.00 0.00 ATOM 241 CE MET A 45 9.230 3.233 11.464 1.00 0.00 ATOM 242 O MET A 45 7.766 1.829 5.345 1.00 0.00 ATOM 243 C MET A 45 7.295 2.293 6.385 1.00 0.00 ATOM 244 N LEU A 46 6.854 3.539 6.476 1.00 0.00 ATOM 245 CA LEU A 46 6.824 4.419 5.307 1.00 0.00 ATOM 246 CB LEU A 46 6.253 5.788 5.682 1.00 0.00 ATOM 247 CG LEU A 46 6.056 6.778 4.532 1.00 0.00 ATOM 248 CD1 LEU A 46 5.085 6.219 3.503 1.00 0.00 ATOM 249 CD2 LEU A 46 5.497 8.096 5.046 1.00 0.00 ATOM 250 O LEU A 46 8.376 4.771 3.521 1.00 0.00 ATOM 251 C LEU A 46 8.216 4.635 4.733 1.00 0.00 ATOM 252 N GLU A 47 9.220 4.646 5.600 1.00 0.00 ATOM 253 CA GLU A 47 10.598 4.827 5.169 1.00 0.00 ATOM 254 CB GLU A 47 11.527 4.945 6.379 1.00 0.00 ATOM 255 CG GLU A 47 11.361 6.235 7.165 1.00 0.00 ATOM 256 CD GLU A 47 12.207 6.264 8.423 1.00 0.00 ATOM 257 OE1 GLU A 47 12.867 5.245 8.718 1.00 0.00 ATOM 258 OE2 GLU A 47 12.209 7.304 9.114 1.00 0.00 ATOM 259 O GLU A 47 11.681 3.825 3.274 1.00 0.00 ATOM 260 C GLU A 47 11.064 3.644 4.323 1.00 0.00 ATOM 261 N SER A 48 10.745 2.437 4.775 1.00 0.00 ATOM 262 CA SER A 48 11.153 1.226 4.074 1.00 0.00 ATOM 263 CB SER A 48 10.990 0.003 4.978 1.00 0.00 ATOM 264 OG SER A 48 11.854 0.079 6.099 1.00 0.00 ATOM 265 O SER A 48 10.829 0.619 1.772 1.00 0.00 ATOM 266 C SER A 48 10.311 1.005 2.823 1.00 0.00 ATOM 267 N GLU A 49 9.013 1.268 2.936 1.00 0.00 ATOM 268 CA GLU A 49 8.093 1.091 1.821 1.00 0.00 ATOM 269 CB GLU A 49 6.661 1.415 2.251 1.00 0.00 ATOM 270 CG GLU A 49 5.611 1.106 1.196 1.00 0.00 ATOM 271 CD GLU A 49 4.206 1.442 1.657 1.00 0.00 ATOM 272 OE1 GLU A 49 3.776 0.899 2.696 1.00 0.00 ATOM 273 OE2 GLU A 49 3.535 2.248 0.979 1.00 0.00 ATOM 274 O GLU A 49 8.297 1.641 -0.507 1.00 0.00 ATOM 275 C GLU A 49 8.458 2.008 0.658 1.00 0.00 ATOM 276 N ALA A 50 8.967 3.194 0.981 1.00 0.00 ATOM 277 CA ALA A 50 9.367 4.162 -0.033 1.00 0.00 ATOM 278 CB ALA A 50 9.817 5.459 0.621 1.00 0.00 ATOM 279 O ALA A 50 10.649 3.971 -2.057 1.00 0.00 ATOM 280 C ALA A 50 10.521 3.631 -0.877 1.00 0.00 ATOM 281 N ARG A 51 11.354 2.791 -0.276 1.00 0.00 ATOM 282 CA ARG A 51 12.497 2.221 -0.978 1.00 0.00 ATOM 283 CB ARG A 51 13.511 1.656 0.019 1.00 0.00 ATOM 284 CG ARG A 51 14.218 2.712 0.851 1.00 0.00 ATOM 285 CD ARG A 51 15.126 2.078 1.892 1.00 0.00 ATOM 286 NE ARG A 51 15.868 3.080 2.655 1.00 0.00 ATOM 287 CZ ARG A 51 16.738 2.793 3.617 1.00 0.00 ATOM 288 NH1 ARG A 51 17.366 3.770 4.256 1.00 0.00 ATOM 289 NH2 ARG A 51 16.979 1.529 3.938 1.00 0.00 ATOM 290 O ARG A 51 12.399 1.051 -3.072 1.00 0.00 ATOM 291 C ARG A 51 12.037 1.097 -1.896 1.00 0.00 ATOM 292 N GLU A 52 11.219 0.205 -1.355 1.00 0.00 ATOM 293 CA GLU A 52 10.693 -0.919 -2.116 1.00 0.00 ATOM 294 CB GLU A 52 9.836 -1.817 -1.222 1.00 0.00 ATOM 295 CG GLU A 52 10.601 -2.471 -0.083 1.00 0.00 ATOM 296 CD GLU A 52 9.703 -3.279 0.834 1.00 0.00 ATOM 297 OE1 GLU A 52 8.478 -3.309 0.590 1.00 0.00 ATOM 298 OE2 GLU A 52 10.224 -3.881 1.796 1.00 0.00 ATOM 299 O GLU A 52 9.876 -0.987 -4.382 1.00 0.00 ATOM 300 C GLU A 52 9.824 -0.433 -3.280 1.00 0.00 ATOM 301 N LEU A 53 10.069 -1.190 -7.419 1.00 0.00 ATOM 302 CA LEU A 53 8.921 -1.708 -8.155 1.00 0.00 ATOM 303 CB LEU A 53 7.755 -1.984 -7.204 1.00 0.00 ATOM 304 CG LEU A 53 7.942 -3.140 -6.219 1.00 0.00 ATOM 305 CD1 LEU A 53 6.788 -3.197 -5.231 1.00 0.00 ATOM 306 CD2 LEU A 53 8.002 -4.469 -6.956 1.00 0.00 ATOM 307 O LEU A 53 7.937 -1.111 -10.263 1.00 0.00 ATOM 308 C LEU A 53 8.442 -0.715 -9.211 1.00 0.00 ATOM 309 N ALA A 54 8.614 0.574 -8.938 1.00 0.00 ATOM 310 CA ALA A 54 8.267 1.614 -9.898 1.00 0.00 ATOM 311 CB ALA A 54 8.457 2.991 -9.280 1.00 0.00 ATOM 312 O ALA A 54 8.707 1.776 -12.254 1.00 0.00 ATOM 313 C ALA A 54 9.151 1.515 -11.137 1.00 0.00 ATOM 314 N PRO A 55 10.404 1.127 -10.930 1.00 0.00 ATOM 315 CA PRO A 55 11.335 0.938 -12.028 1.00 0.00 ATOM 316 CB PRO A 55 12.710 0.976 -11.358 1.00 0.00 ATOM 317 CG PRO A 55 12.454 0.536 -9.956 1.00 0.00 ATOM 318 CD PRO A 55 11.089 1.051 -9.599 1.00 0.00 ATOM 319 O PRO A 55 11.375 -0.555 -13.909 1.00 0.00 ATOM 320 C PRO A 55 11.085 -0.398 -12.724 1.00 0.00 ATOM 321 N GLU A 56 10.543 -1.358 -11.980 1.00 0.00 ATOM 322 CA GLU A 56 10.181 -2.650 -12.549 1.00 0.00 ATOM 323 CB GLU A 56 9.813 -3.639 -11.441 1.00 0.00 ATOM 324 CG GLU A 56 10.991 -4.085 -10.591 1.00 0.00 ATOM 325 CD GLU A 56 10.572 -4.966 -9.430 1.00 0.00 ATOM 326 OE1 GLU A 56 9.353 -5.168 -9.248 1.00 0.00 ATOM 327 OE2 GLU A 56 11.462 -5.453 -8.702 1.00 0.00 ATOM 328 O GLU A 56 8.910 -3.127 -14.535 1.00 0.00 ATOM 329 C GLU A 56 8.984 -2.493 -13.481 1.00 0.00 ATOM 330 N GLU A 57 8.053 -1.632 -13.092 1.00 0.00 ATOM 331 CA GLU A 57 6.900 -1.355 -13.926 1.00 0.00 ATOM 332 CB GLU A 57 7.253 -1.534 -15.404 1.00 0.00 ATOM 333 CG GLU A 57 8.273 -0.534 -15.924 1.00 0.00 ATOM 334 CD GLU A 57 8.626 -0.766 -17.380 1.00 0.00 ATOM 335 OE1 GLU A 57 8.079 -1.715 -17.980 1.00 0.00 ATOM 336 OE2 GLU A 57 9.450 0.001 -17.921 1.00 0.00 ATOM 337 O GLU A 57 4.720 -2.257 -14.313 1.00 0.00 ATOM 338 C GLU A 57 5.739 -2.275 -13.620 1.00 0.00 ATOM 339 N GLU A 58 5.892 -3.080 -12.583 1.00 0.00 ATOM 340 CA GLU A 58 4.859 -4.014 -12.173 1.00 0.00 ATOM 341 CB GLU A 58 5.470 -5.181 -11.395 1.00 0.00 ATOM 342 CG GLU A 58 6.410 -6.049 -12.215 1.00 0.00 ATOM 343 CD GLU A 58 6.962 -7.219 -11.425 1.00 0.00 ATOM 344 OE1 GLU A 58 6.649 -7.322 -10.220 1.00 0.00 ATOM 345 OE2 GLU A 58 7.707 -8.033 -12.010 1.00 0.00 ATOM 346 O GLU A 58 4.201 -2.401 -10.522 1.00 0.00 ATOM 347 C GLU A 58 3.844 -3.305 -11.278 1.00 0.00 ATOM 348 N VAL A 59 2.579 -3.701 -11.385 1.00 0.00 ATOM 349 CA VAL A 59 1.502 -3.029 -10.664 1.00 0.00 ATOM 350 CB VAL A 59 0.124 -3.596 -11.051 1.00 0.00 ATOM 351 CG1 VAL A 59 -0.974 -2.938 -10.229 1.00 0.00 ATOM 352 CG2 VAL A 59 -0.162 -3.344 -12.524 1.00 0.00 ATOM 353 O VAL A 59 1.289 -4.213 -8.571 1.00 0.00 ATOM 354 C VAL A 59 1.635 -3.179 -9.152 1.00 0.00 ATOM 355 N LYS A 60 0.333 10.604 12.005 1.00 0.00 ATOM 356 CA LYS A 60 0.658 11.929 12.486 1.00 0.00 ATOM 357 CB LYS A 60 1.876 12.484 11.745 1.00 0.00 ATOM 358 CG LYS A 60 3.171 11.745 12.038 1.00 0.00 ATOM 359 CD LYS A 60 4.342 12.366 11.293 1.00 0.00 ATOM 360 CE LYS A 60 5.634 11.615 11.571 1.00 0.00 ATOM 361 NZ LYS A 60 6.787 12.204 10.836 1.00 0.00 ATOM 362 O LYS A 60 -0.354 13.904 11.603 1.00 0.00 ATOM 363 C LYS A 60 -0.491 12.882 12.277 1.00 0.00 ATOM 364 N LEU A 61 -1.631 12.536 12.851 1.00 0.00 ATOM 365 CA LEU A 61 -2.846 13.312 12.680 1.00 0.00 ATOM 366 CB LEU A 61 -4.079 12.420 12.839 1.00 0.00 ATOM 367 CG LEU A 61 -4.238 11.294 11.815 1.00 0.00 ATOM 368 CD1 LEU A 61 -5.450 10.436 12.143 1.00 0.00 ATOM 369 CD2 LEU A 61 -4.421 11.862 10.416 1.00 0.00 ATOM 370 O LEU A 61 -3.635 15.417 13.526 1.00 0.00 ATOM 371 C LEU A 61 -2.925 14.427 13.717 1.00 0.00 ATOM 372 N GLU A 62 -2.181 14.268 14.807 1.00 0.00 ATOM 373 CA GLU A 62 -2.218 15.230 15.900 1.00 0.00 ATOM 374 CB GLU A 62 -1.639 14.614 17.176 1.00 0.00 ATOM 375 CG GLU A 62 -2.448 13.450 17.725 1.00 0.00 ATOM 376 CD GLU A 62 -1.945 12.978 19.075 1.00 0.00 ATOM 377 OE1 GLU A 62 -0.716 12.818 19.229 1.00 0.00 ATOM 378 OE2 GLU A 62 -2.781 12.766 19.979 1.00 0.00 ATOM 379 O GLU A 62 -0.864 16.631 14.478 1.00 0.00 ATOM 380 C GLU A 62 -1.406 16.483 15.575 1.00 0.00 ATOM 381 N HIS A 63 -1.328 17.376 16.548 1.00 0.00 ATOM 382 CA HIS A 63 -0.660 18.658 16.380 1.00 0.00 ATOM 383 CB HIS A 63 -1.686 19.789 16.291 1.00 0.00 ATOM 384 CG HIS A 63 -2.618 19.670 15.126 1.00 0.00 ATOM 385 CD2 HIS A 63 -4.025 19.339 14.951 1.00 0.00 ATOM 386 ND1 HIS A 63 -2.218 19.892 13.827 1.00 0.00 ATOM 387 CE1 HIS A 63 -3.268 19.710 13.007 1.00 0.00 ATOM 388 NE2 HIS A 63 -4.356 19.378 13.675 1.00 0.00 ATOM 389 O HIS A 63 0.787 17.954 18.145 1.00 0.00 ATOM 390 C HIS A 63 0.257 18.908 17.576 1.00 0.00 ATOM 391 N HIS A 64 0.464 20.183 17.922 1.00 0.00 ATOM 392 CA HIS A 64 1.130 20.561 19.172 1.00 0.00 ATOM 393 CB HIS A 64 0.826 22.019 19.521 1.00 0.00 ATOM 394 CG HIS A 64 1.378 23.004 18.537 1.00 0.00 ATOM 395 CD2 HIS A 64 0.824 23.828 17.473 1.00 0.00 ATOM 396 ND1 HIS A 64 2.715 23.332 18.482 1.00 0.00 ATOM 397 CE1 HIS A 64 2.904 24.235 17.504 1.00 0.00 ATOM 398 NE2 HIS A 64 1.774 24.538 16.894 1.00 0.00 ATOM 399 O HIS A 64 -0.556 19.710 20.654 1.00 0.00 ATOM 400 C HIS A 64 0.622 19.656 20.297 1.00 0.00 ATOM 401 N HIS A 65 1.500 18.819 20.831 1.00 0.00 ATOM 402 CA HIS A 65 1.076 17.693 21.657 1.00 0.00 ATOM 403 CB HIS A 65 2.257 16.764 21.943 1.00 0.00 ATOM 404 CG HIS A 65 1.885 15.531 22.708 1.00 0.00 ATOM 405 CD2 HIS A 65 0.643 14.841 23.024 1.00 0.00 ATOM 406 ND1 HIS A 65 2.818 14.732 23.331 1.00 0.00 ATOM 407 CE1 HIS A 65 2.186 13.708 23.931 1.00 0.00 ATOM 408 NE2 HIS A 65 0.881 13.767 23.751 1.00 0.00 ATOM 409 O HIS A 65 -0.691 18.025 23.245 1.00 0.00 ATOM 410 C HIS A 65 0.509 18.147 23.003 1.00 0.00 ATOM 411 N HIS A 66 1.359 18.661 23.878 1.00 0.00 ATOM 412 CA HIS A 66 0.913 19.052 25.212 1.00 0.00 ATOM 413 CB HIS A 66 1.169 17.925 26.214 1.00 0.00 ATOM 414 CG HIS A 66 2.618 17.705 26.519 1.00 0.00 ATOM 415 CD2 HIS A 66 3.534 18.126 27.570 1.00 0.00 ATOM 416 ND1 HIS A 66 3.440 16.944 25.717 1.00 0.00 ATOM 417 CE1 HIS A 66 4.677 16.931 26.245 1.00 0.00 ATOM 418 NE2 HIS A 66 4.740 17.638 27.357 1.00 0.00 ATOM 419 O HIS A 66 1.100 21.123 26.414 1.00 0.00 ATOM 420 C HIS A 66 1.656 20.295 25.693 1.00 0.00 ATOM 421 N HIS A 67 2.915 20.416 25.295 1.00 0.00 ATOM 422 CA HIS A 67 3.723 21.575 25.649 1.00 0.00 ATOM 423 CB HIS A 67 5.199 21.313 25.344 1.00 0.00 ATOM 424 CG HIS A 67 6.125 22.350 25.899 1.00 0.00 ATOM 425 CD2 HIS A 67 7.003 22.445 27.056 1.00 0.00 ATOM 426 ND1 HIS A 67 6.316 23.575 25.298 1.00 0.00 ATOM 427 CE1 HIS A 67 7.198 24.286 26.024 1.00 0.00 ATOM 428 NE2 HIS A 67 7.614 23.614 27.079 1.00 0.00 ATOM 429 O HIS A 67 2.918 22.677 23.683 1.00 0.00 ATOM 430 C HIS A 67 3.271 22.796 24.852 1.00 0.00 ATOM 431 N HIS A 68 3.278 23.957 25.492 1.00 0.00 ATOM 432 CA HIS A 68 2.909 25.200 24.828 1.00 0.00 ATOM 433 CB HIS A 68 1.756 25.881 25.568 1.00 0.00 ATOM 434 CG HIS A 68 0.536 25.025 25.705 1.00 0.00 ATOM 435 CD2 HIS A 68 -0.073 24.248 26.775 1.00 0.00 ATOM 436 ND1 HIS A 68 -0.341 24.808 24.664 1.00 0.00 ATOM 437 CE1 HIS A 68 -1.332 24.003 25.088 1.00 0.00 ATOM 438 NE2 HIS A 68 -1.178 23.664 26.353 1.00 0.00 ATOM 439 O HIS A 68 4.411 26.743 25.858 1.00 0.00 ATOM 440 C HIS A 68 4.103 26.145 24.803 1.00 0.00 ENDMDL