USER MOD reduce.3.24.130724 H: found=0, std=0, add=150, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 151 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot -170:sc= -1.75 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 1.658 -7.741 16.682 1.00 0.00 N ATOM 21 CA ALA A 2 1.692 -7.216 15.322 1.00 0.00 C ATOM 22 C ALA A 2 1.154 -8.239 14.324 1.00 0.00 C ATOM 23 O ALA A 2 1.910 -9.046 13.782 1.00 0.00 O ATOM 24 CB ALA A 2 3.110 -6.810 14.950 1.00 0.00 C ATOM 0 HA ALA A 2 1.050 -6.336 15.282 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.122 -6.420 13.932 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.460 -6.040 15.638 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.766 -7.679 15.013 1.00 0.00 H new ATOM 30 N PRO A 3 -0.165 -8.220 14.069 1.00 0.00 N ATOM 31 CA PRO A 3 -0.801 -9.151 13.131 1.00 0.00 C ATOM 32 C PRO A 3 -0.388 -8.890 11.687 1.00 0.00 C ATOM 33 O PRO A 3 0.101 -7.807 11.353 1.00 0.00 O ATOM 34 CB PRO A 3 -2.297 -8.883 13.317 1.00 0.00 C ATOM 35 CG PRO A 3 -2.372 -7.488 13.833 1.00 0.00 C ATOM 36 CD PRO A 3 -1.140 -7.291 14.671 1.00 0.00 C ATOM 0 HA PRO A 3 -0.514 -10.184 13.327 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -2.837 -8.986 12.376 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -2.741 -9.589 14.019 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.406 -6.770 13.014 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -3.275 -7.339 14.425 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -0.789 -6.260 14.633 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -1.325 -7.526 15.719 1.00 0.00 H new ATOM 44 N ARG A 4 -0.590 -9.885 10.827 1.00 0.00 N ATOM 45 CA ARG A 4 -0.235 -9.755 9.421 1.00 0.00 C ATOM 46 C ARG A 4 -1.299 -9.003 8.644 1.00 0.00 C ATOM 47 O ARG A 4 -1.193 -8.804 7.434 1.00 0.00 O ATOM 48 CB ARG A 4 -0.001 -11.131 8.815 1.00 0.00 C ATOM 49 CG ARG A 4 1.065 -11.153 7.732 1.00 0.00 C ATOM 50 CD ARG A 4 0.767 -12.203 6.674 1.00 0.00 C ATOM 51 NE ARG A 4 1.642 -13.367 6.795 1.00 0.00 N ATOM 52 CZ ARG A 4 1.441 -14.363 7.656 1.00 0.00 C ATOM 53 NH1 ARG A 4 0.393 -14.344 8.472 1.00 0.00 N ATOM 54 NH2 ARG A 4 2.288 -15.382 7.700 1.00 0.00 N ATOM 0 H ARG A 4 -0.996 -10.786 11.080 1.00 0.00 H new ATOM 0 HA ARG A 4 0.686 -9.176 9.357 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.286 -11.822 9.607 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.938 -11.497 8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.128 -10.171 7.263 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.037 -11.355 8.182 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.272 -12.520 6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 4 0.884 -11.763 5.684 1.00 0.00 H new ATOM 0 HE ARG A 4 2.456 -13.420 6.183 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.263 -13.564 8.441 1.00 0.00 H new ATOM 0 HH12 ARG A 4 0.244 -15.110 9.129 1.00 0.00 H new ATOM 0 HH21 ARG A 4 3.093 -15.403 7.075 1.00 0.00 H new ATOM 0 HH22 ARG A 4 2.134 -16.145 8.359 1.00 0.00 H new ATOM 68 N GLY A 5 -2.315 -8.561 9.378 1.00 0.00 N ATOM 69 CA GLY A 5 -3.396 -7.803 8.791 1.00 0.00 C ATOM 70 C GLY A 5 -2.990 -6.367 8.560 1.00 0.00 C ATOM 71 O GLY A 5 -3.234 -5.802 7.494 1.00 0.00 O ATOM 0 H GLY A 5 -2.406 -8.719 10.382 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.691 -8.257 7.845 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.266 -7.837 9.446 1.00 0.00 H new ATOM 75 N PHE A 6 -2.345 -5.789 9.565 1.00 0.00 N ATOM 76 CA PHE A 6 -1.867 -4.419 9.481 1.00 0.00 C ATOM 77 C PHE A 6 -0.484 -4.398 8.843 1.00 0.00 C ATOM 78 O PHE A 6 -0.131 -3.459 8.129 1.00 0.00 O ATOM 79 CB PHE A 6 -1.816 -3.783 10.872 1.00 0.00 C ATOM 80 CG PHE A 6 -1.335 -2.360 10.865 1.00 0.00 C ATOM 81 CD1 PHE A 6 -1.789 -1.465 9.910 1.00 0.00 C ATOM 82 CD2 PHE A 6 -0.427 -1.918 11.815 1.00 0.00 C ATOM 83 CE1 PHE A 6 -1.347 -0.155 9.902 1.00 0.00 C ATOM 84 CE2 PHE A 6 0.017 -0.609 11.811 1.00 0.00 C ATOM 85 CZ PHE A 6 -0.443 0.272 10.854 1.00 0.00 C ATOM 0 H PHE A 6 -2.141 -6.252 10.451 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.556 -3.842 8.865 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.811 -3.819 11.316 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.161 -4.376 11.510 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.496 -1.794 9.163 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -0.063 -2.604 12.566 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -1.708 0.533 9.152 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.724 -0.276 12.557 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.096 1.295 10.850 1.00 0.00 H new ATOM 95 N SER A 7 0.291 -5.450 9.099 1.00 0.00 N ATOM 96 CA SER A 7 1.632 -5.562 8.542 1.00 0.00 C ATOM 97 C SER A 7 1.577 -5.620 7.019 1.00 0.00 C ATOM 98 O SER A 7 2.408 -5.023 6.336 1.00 0.00 O ATOM 99 CB SER A 7 2.333 -6.807 9.088 1.00 0.00 C ATOM 100 OG SER A 7 3.740 -6.643 9.086 1.00 0.00 O ATOM 0 H SER A 7 0.011 -6.234 9.688 1.00 0.00 H new ATOM 0 HA SER A 7 2.200 -4.679 8.837 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.989 -7.006 10.103 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.064 -7.674 8.484 1.00 0.00 H new ATOM 0 HG SER A 7 4.164 -7.452 9.441 1.00 0.00 H new ATOM 106 N CYS A 8 0.591 -6.342 6.491 1.00 0.00 N ATOM 107 CA CYS A 8 0.431 -6.473 5.047 1.00 0.00 C ATOM 108 C CYS A 8 -0.376 -5.309 4.480 1.00 0.00 C ATOM 109 O CYS A 8 -0.149 -4.877 3.350 1.00 0.00 O ATOM 110 CB CYS A 8 -0.256 -7.796 4.705 1.00 0.00 C ATOM 111 SG CYS A 8 0.833 -9.236 4.793 1.00 0.00 S ATOM 0 H CYS A 8 -0.107 -6.843 7.041 1.00 0.00 H new ATOM 0 HA CYS A 8 1.423 -6.459 4.596 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.094 -7.945 5.386 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.671 -7.728 3.699 1.00 0.00 H new ATOM 0 HG CYS A 8 0.227 -10.270 4.290 1.00 0.00 H new ATOM 117 N LEU A 9 -1.321 -4.809 5.269 1.00 0.00 N ATOM 118 CA LEU A 9 -2.164 -3.697 4.843 1.00 0.00 C ATOM 119 C LEU A 9 -1.328 -2.458 4.534 1.00 0.00 C ATOM 120 O LEU A 9 -1.615 -1.726 3.587 1.00 0.00 O ATOM 121 CB LEU A 9 -3.198 -3.372 5.924 1.00 0.00 C ATOM 122 CG LEU A 9 -4.535 -4.099 5.781 1.00 0.00 C ATOM 123 CD1 LEU A 9 -5.334 -4.006 7.072 1.00 0.00 C ATOM 124 CD2 LEU A 9 -5.330 -3.527 4.618 1.00 0.00 C ATOM 0 H LEU A 9 -1.523 -5.156 6.207 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.680 -3.997 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.772 -3.615 6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.383 -2.298 5.917 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.335 -5.151 5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.283 -4.529 6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.768 -4.463 7.884 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.525 -2.959 7.307 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.279 -4.056 4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.520 -2.468 4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.762 -3.646 3.695 1.00 0.00 H new ATOM 136 N LEU A 10 -0.295 -2.229 5.338 1.00 0.00 N ATOM 137 CA LEU A 10 0.579 -1.076 5.149 1.00 0.00 C ATOM 138 C LEU A 10 1.212 -1.086 3.760 1.00 0.00 C ATOM 139 O LEU A 10 1.557 -0.036 3.218 1.00 0.00 O ATOM 140 CB LEU A 10 1.670 -1.055 6.222 1.00 0.00 C ATOM 141 CG LEU A 10 2.754 -2.124 6.070 1.00 0.00 C ATOM 142 CD1 LEU A 10 3.941 -1.573 5.297 1.00 0.00 C ATOM 143 CD2 LEU A 10 3.194 -2.637 7.433 1.00 0.00 C ATOM 0 H LEU A 10 -0.042 -2.826 6.126 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.029 -0.176 5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.146 -0.074 6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.200 -1.174 7.198 1.00 0.00 H new ATOM 0 HG LEU A 10 2.337 -2.960 5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.702 -2.347 5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.615 -1.257 4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.359 -0.719 5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.965 -3.396 7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.593 -1.811 8.021 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.339 -3.072 7.951 1.00 0.00 H new ATOM 155 N LEU A 11 1.365 -2.277 3.189 1.00 0.00 N ATOM 156 CA LEU A 11 1.959 -2.419 1.865 1.00 0.00 C ATOM 157 C LEU A 11 0.977 -2.002 0.772 1.00 0.00 C ATOM 158 O LEU A 11 1.383 -1.609 -0.321 1.00 0.00 O ATOM 159 CB LEU A 11 2.406 -3.863 1.638 1.00 0.00 C ATOM 160 CG LEU A 11 3.803 -4.198 2.163 1.00 0.00 C ATOM 161 CD1 LEU A 11 4.015 -5.704 2.192 1.00 0.00 C ATOM 162 CD2 LEU A 11 4.868 -3.524 1.311 1.00 0.00 C ATOM 0 H LEU A 11 1.086 -3.157 3.623 1.00 0.00 H new ATOM 0 HA LEU A 11 2.827 -1.761 1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.686 -4.529 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.376 -4.073 0.569 1.00 0.00 H new ATOM 0 HG LEU A 11 3.888 -3.820 3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.014 -5.924 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.273 -6.163 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.910 -6.106 1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.856 -3.773 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.784 -3.872 0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.728 -2.443 1.341 1.00 0.00 H new ATOM 174 N LEU A 12 -0.316 -2.092 1.073 1.00 0.00 N ATOM 175 CA LEU A 12 -1.352 -1.725 0.114 1.00 0.00 C ATOM 176 C LEU A 12 -1.180 -0.282 -0.357 1.00 0.00 C ATOM 177 O LEU A 12 -1.325 0.015 -1.542 1.00 0.00 O ATOM 178 CB LEU A 12 -2.739 -1.915 0.734 1.00 0.00 C ATOM 179 CG LEU A 12 -3.708 -2.761 -0.093 1.00 0.00 C ATOM 180 CD1 LEU A 12 -4.807 -3.330 0.789 1.00 0.00 C ATOM 181 CD2 LEU A 12 -4.302 -1.937 -1.226 1.00 0.00 C ATOM 0 H LEU A 12 -0.670 -2.416 1.973 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.257 -2.379 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.622 -2.378 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.185 -0.934 0.896 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.154 -3.593 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.487 -3.929 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.364 -3.956 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.360 -2.514 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.989 -2.555 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.841 -1.085 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.502 -1.580 -1.875 1.00 0.00 H new ATOM 193 N THR A 13 -0.870 0.609 0.580 1.00 0.00 N ATOM 194 CA THR A 13 -0.680 2.021 0.259 1.00 0.00 C ATOM 195 C THR A 13 0.383 2.200 -0.823 1.00 0.00 C ATOM 196 O THR A 13 0.347 3.163 -1.588 1.00 0.00 O ATOM 197 CB THR A 13 -0.286 2.803 1.513 1.00 0.00 C ATOM 198 OG1 THR A 13 -0.237 4.208 1.240 1.00 0.00 O ATOM 199 CG2 THR A 13 1.066 2.347 2.019 1.00 0.00 C ATOM 0 H THR A 13 -0.745 0.380 1.566 1.00 0.00 H new ATOM 0 HA THR A 13 -1.625 2.409 -0.121 1.00 0.00 H new ATOM 0 HB THR A 13 -1.041 2.613 2.276 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.015 4.691 2.055 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.331 2.914 2.912 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.024 1.285 2.263 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.818 2.513 1.248 1.00 0.00 H new ATOM 207 N SER A 14 1.328 1.267 -0.879 1.00 0.00 N ATOM 208 CA SER A 14 2.400 1.324 -1.866 1.00 0.00 C ATOM 209 C SER A 14 1.940 0.755 -3.205 1.00 0.00 C ATOM 210 O SER A 14 2.184 1.346 -4.258 1.00 0.00 O ATOM 211 CB SER A 14 3.624 0.555 -1.366 1.00 0.00 C ATOM 212 OG SER A 14 4.744 0.772 -2.207 1.00 0.00 O ATOM 0 H SER A 14 1.373 0.463 -0.253 1.00 0.00 H new ATOM 0 HA SER A 14 2.670 2.370 -2.010 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.863 0.868 -0.350 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.396 -0.510 -1.327 1.00 0.00 H new ATOM 0 HG SER A 14 5.513 0.270 -1.864 1.00 0.00 H new ATOM 218 N GLU A 15 1.275 -0.394 -3.157 1.00 0.00 N ATOM 219 CA GLU A 15 0.782 -1.043 -4.367 1.00 0.00 C ATOM 220 C GLU A 15 -0.241 -0.165 -5.081 1.00 0.00 C ATOM 221 O GLU A 15 -0.130 0.084 -6.281 1.00 0.00 O ATOM 222 CB GLU A 15 0.158 -2.398 -4.025 1.00 0.00 C ATOM 223 CG GLU A 15 1.100 -3.332 -3.284 1.00 0.00 C ATOM 224 CD GLU A 15 2.401 -3.560 -4.029 1.00 0.00 C ATOM 225 OE1 GLU A 15 2.378 -3.562 -5.278 1.00 0.00 O ATOM 226 OE2 GLU A 15 3.443 -3.735 -3.364 1.00 0.00 O ATOM 0 H GLU A 15 1.065 -0.895 -2.294 1.00 0.00 H new ATOM 0 HA GLU A 15 1.629 -1.197 -5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.732 -2.236 -3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.169 -2.881 -4.946 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.317 -2.917 -2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.605 -4.290 -3.124 1.00 0.00 H new ATOM 233 N ILE A 16 -1.236 0.303 -4.335 1.00 0.00 N ATOM 234 CA ILE A 16 -2.279 1.153 -4.897 1.00 0.00 C ATOM 235 C ILE A 16 -1.688 2.419 -5.515 1.00 0.00 C ATOM 236 O ILE A 16 -2.314 3.054 -6.364 1.00 0.00 O ATOM 237 CB ILE A 16 -3.318 1.547 -3.826 1.00 0.00 C ATOM 238 CG1 ILE A 16 -3.922 0.297 -3.185 1.00 0.00 C ATOM 239 CG2 ILE A 16 -4.411 2.415 -4.434 1.00 0.00 C ATOM 240 CD1 ILE A 16 -4.739 -0.541 -4.146 1.00 0.00 C ATOM 0 H ILE A 16 -1.342 0.108 -3.339 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.774 0.574 -5.677 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.813 2.124 -3.052 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.119 -0.315 -2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.554 0.597 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.134 2.683 -3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.968 3.322 -4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.914 1.863 -5.228 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.136 -1.411 -3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.563 0.055 -4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.106 -0.871 -4.970 1.00 0.00 H new ATOM 252 N ASP A 17 -0.483 2.783 -5.084 1.00 0.00 N ATOM 253 CA ASP A 17 0.183 3.973 -5.599 1.00 0.00 C ATOM 254 C ASP A 17 1.187 3.613 -6.686 1.00 0.00 C ATOM 255 O ASP A 17 2.165 4.327 -6.909 1.00 0.00 O ATOM 256 CB ASP A 17 0.886 4.707 -4.462 1.00 0.00 C ATOM 257 CG ASP A 17 0.809 6.213 -4.608 1.00 0.00 C ATOM 258 OD1 ASP A 17 -0.254 6.788 -4.292 1.00 0.00 O ATOM 259 OD2 ASP A 17 1.813 6.820 -5.038 1.00 0.00 O ATOM 0 H ASP A 17 0.050 2.271 -4.381 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.573 4.624 -6.038 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.438 4.414 -3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.932 4.402 -4.428 1.00 0.00 H new ATOM 264 N LEU A 18 0.935 2.499 -7.356 1.00 0.00 N ATOM 265 CA LEU A 18 1.809 2.029 -8.424 1.00 0.00 C ATOM 266 C LEU A 18 1.697 2.919 -9.665 1.00 0.00 C ATOM 267 O LEU A 18 2.694 3.474 -10.126 1.00 0.00 O ATOM 268 CB LEU A 18 1.481 0.574 -8.778 1.00 0.00 C ATOM 269 CG LEU A 18 2.158 0.041 -10.044 1.00 0.00 C ATOM 270 CD1 LEU A 18 3.670 0.041 -9.881 1.00 0.00 C ATOM 271 CD2 LEU A 18 1.654 -1.357 -10.368 1.00 0.00 C ATOM 0 H LEU A 18 0.129 1.900 -7.179 1.00 0.00 H new ATOM 0 HA LEU A 18 2.837 2.082 -8.066 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.766 -0.060 -7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.401 0.480 -8.896 1.00 0.00 H new ATOM 0 HG LEU A 18 1.904 0.699 -10.875 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.134 -0.341 -10.790 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.016 1.058 -9.697 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.945 -0.594 -9.039 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.145 -1.721 -11.270 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.879 -2.026 -9.538 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.576 -1.327 -10.528 1.00 0.00 H new ATOM 283 N PRO A 19 0.481 3.071 -10.228 1.00 0.00 N ATOM 284 CA PRO A 19 0.266 3.901 -11.419 1.00 0.00 C ATOM 285 C PRO A 19 0.609 5.365 -11.174 1.00 0.00 C ATOM 286 O PRO A 19 1.394 5.964 -11.910 1.00 0.00 O ATOM 287 CB PRO A 19 -1.231 3.749 -11.710 1.00 0.00 C ATOM 288 CG PRO A 19 -1.830 3.277 -10.430 1.00 0.00 C ATOM 289 CD PRO A 19 -0.771 2.453 -9.757 1.00 0.00 C ATOM 0 HA PRO A 19 0.905 3.588 -12.245 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.669 4.696 -12.025 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.406 3.034 -12.514 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.126 4.119 -9.804 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.727 2.685 -10.614 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.857 2.494 -8.671 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.835 1.403 -10.042 1.00 0.00 H new ATOM 297 N VAL A 20 0.010 5.936 -10.136 1.00 0.00 N ATOM 298 CA VAL A 20 0.244 7.334 -9.788 1.00 0.00 C ATOM 299 C VAL A 20 1.374 7.473 -8.770 1.00 0.00 C ATOM 300 O VAL A 20 1.354 8.369 -7.925 1.00 0.00 O ATOM 301 CB VAL A 20 -1.026 7.989 -9.215 1.00 0.00 C ATOM 302 CG1 VAL A 20 -0.848 9.497 -9.105 1.00 0.00 C ATOM 303 CG2 VAL A 20 -2.240 7.646 -10.068 1.00 0.00 C ATOM 0 H VAL A 20 -0.643 5.452 -9.519 1.00 0.00 H new ATOM 0 HA VAL A 20 0.527 7.842 -10.710 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.194 7.593 -8.213 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.756 9.942 -8.698 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.009 9.717 -8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.651 9.913 -10.093 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.127 8.119 -9.646 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.085 8.008 -11.084 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.379 6.565 -10.086 1.00 0.00 H new