USER MOD reduce.3.24.130724 H: found=0, std=0, add=150, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 150 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 1 ALA N :NH3+ -116:sc= 0.171 (180deg=-0.0838) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 42:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.799 5.324 -0.274 1.00 0.00 N ATOM 2 CA ALA A 1 -9.353 4.485 -1.357 1.00 0.00 C ATOM 3 C ALA A 1 -10.070 3.277 -0.748 1.00 0.00 C ATOM 4 O ALA A 1 -9.949 3.074 0.457 1.00 0.00 O ATOM 5 CB ALA A 1 -8.251 4.067 -2.335 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.263 6.255 -0.284 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.967 4.863 0.643 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.776 5.446 -0.418 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.081 5.060 -1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.680 3.450 -3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.798 4.956 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.489 3.497 -1.803 1.00 0.00 H new ATOM 13 N VAL A 2 -10.838 2.518 -1.549 1.00 0.00 N ATOM 14 CA VAL A 2 -11.848 1.585 -1.031 1.00 0.00 C ATOM 15 C VAL A 2 -11.625 0.139 -1.498 1.00 0.00 C ATOM 16 O VAL A 2 -11.714 -0.765 -0.674 1.00 0.00 O ATOM 17 CB VAL A 2 -13.270 2.093 -1.381 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.365 1.218 -0.749 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.495 3.544 -0.918 1.00 0.00 C ATOM 0 H VAL A 2 -10.775 2.535 -2.567 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.744 1.559 0.054 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.338 2.040 -2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.345 1.610 -1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.269 0.195 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.258 1.228 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.504 3.858 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.369 3.605 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.771 4.198 -1.405 1.00 0.00 H new ATOM 29 N GLY A 3 -11.409 -0.106 -2.799 1.00 0.00 N ATOM 30 CA GLY A 3 -11.156 -1.435 -3.331 1.00 0.00 C ATOM 31 C GLY A 3 -9.688 -1.801 -3.180 1.00 0.00 C ATOM 32 O GLY A 3 -9.127 -1.844 -2.088 1.00 0.00 O ATOM 0 H GLY A 3 -11.407 0.625 -3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -11.774 -2.165 -2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.439 -1.472 -4.383 1.00 0.00 H new ATOM 36 N ILE A 4 -9.036 -1.967 -4.330 1.00 0.00 N ATOM 37 CA ILE A 4 -7.631 -2.370 -4.424 1.00 0.00 C ATOM 38 C ILE A 4 -6.736 -1.336 -3.726 1.00 0.00 C ATOM 39 O ILE A 4 -5.735 -1.688 -3.107 1.00 0.00 O ATOM 40 CB ILE A 4 -7.234 -2.596 -5.904 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.157 -3.606 -6.632 1.00 0.00 C ATOM 42 CG2 ILE A 4 -5.765 -3.041 -6.041 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.260 -4.995 -5.984 1.00 0.00 C ATOM 0 H ILE A 4 -9.476 -1.823 -5.239 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.489 -3.319 -3.907 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.358 -1.627 -6.388 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.158 -3.178 -6.693 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.799 -3.727 -7.654 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.526 -3.189 -7.094 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.112 -2.274 -5.625 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.616 -3.976 -5.501 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.930 -5.622 -6.572 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.272 -5.454 -5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.652 -4.896 -4.972 1.00 0.00 H new ATOM 55 N GLY A 5 -7.138 -0.062 -3.748 1.00 0.00 N ATOM 56 CA GLY A 5 -6.401 1.017 -3.116 1.00 0.00 C ATOM 57 C GLY A 5 -6.441 0.924 -1.590 1.00 0.00 C ATOM 58 O GLY A 5 -5.492 1.357 -0.939 1.00 0.00 O ATOM 0 H GLY A 5 -7.993 0.244 -4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.365 0.994 -3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.818 1.974 -3.432 1.00 0.00 H new ATOM 62 N ALA A 6 -7.503 0.346 -1.011 1.00 0.00 N ATOM 63 CA ALA A 6 -7.540 0.058 0.416 1.00 0.00 C ATOM 64 C ALA A 6 -6.541 -1.045 0.765 1.00 0.00 C ATOM 65 O ALA A 6 -5.957 -1.010 1.841 1.00 0.00 O ATOM 66 CB ALA A 6 -8.952 -0.335 0.846 1.00 0.00 C ATOM 0 H ALA A 6 -8.345 0.071 -1.516 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.257 0.960 0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.961 -0.547 1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.639 0.484 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.265 -1.223 0.298 1.00 0.00 H new ATOM 72 N LEU A 7 -6.301 -2.008 -0.133 1.00 0.00 N ATOM 73 CA LEU A 7 -5.230 -2.986 0.032 1.00 0.00 C ATOM 74 C LEU A 7 -3.886 -2.284 -0.092 1.00 0.00 C ATOM 75 O LEU A 7 -2.953 -2.573 0.641 1.00 0.00 O ATOM 76 CB LEU A 7 -5.314 -4.142 -0.987 1.00 0.00 C ATOM 77 CG LEU A 7 -6.736 -4.601 -1.337 1.00 0.00 C ATOM 78 CD1 LEU A 7 -6.691 -5.688 -2.417 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.508 -5.122 -0.116 1.00 0.00 C ATOM 0 H LEU A 7 -6.843 -2.127 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.340 -3.429 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.813 -3.834 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.761 -4.994 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.266 -3.725 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.706 -6.005 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.214 -5.291 -3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.121 -6.542 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.507 -5.433 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.979 -5.973 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.587 -4.331 0.629 1.00 0.00 H new ATOM 91 N PHE A 8 -3.787 -1.346 -1.022 1.00 0.00 N ATOM 92 CA PHE A 8 -2.519 -0.724 -1.375 1.00 0.00 C ATOM 93 C PHE A 8 -1.979 0.129 -0.238 1.00 0.00 C ATOM 94 O PHE A 8 -0.837 -0.038 0.181 1.00 0.00 O ATOM 95 CB PHE A 8 -2.775 0.192 -2.556 1.00 0.00 C ATOM 96 CG PHE A 8 -1.517 0.624 -3.282 1.00 0.00 C ATOM 97 CD1 PHE A 8 -0.930 -0.229 -4.236 1.00 0.00 C ATOM 98 CD2 PHE A 8 -0.910 1.861 -2.985 1.00 0.00 C ATOM 99 CE1 PHE A 8 0.255 0.153 -4.891 1.00 0.00 C ATOM 100 CE2 PHE A 8 0.274 2.242 -3.641 1.00 0.00 C ATOM 101 CZ PHE A 8 0.857 1.388 -4.593 1.00 0.00 C ATOM 0 H PHE A 8 -4.583 -0.994 -1.553 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.793 -1.506 -1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.433 -0.316 -3.261 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.304 1.079 -2.207 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.390 -1.179 -4.465 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.355 2.518 -2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.702 -0.503 -5.623 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.736 3.191 -3.413 1.00 0.00 H new ATOM 0 HZ PHE A 8 1.767 1.680 -5.095 1.00 0.00 H new ATOM 111 N LEU A 9 -2.835 0.999 0.303 1.00 0.00 N ATOM 112 CA LEU A 9 -2.454 1.827 1.441 1.00 0.00 C ATOM 113 C LEU A 9 -2.554 1.023 2.732 1.00 0.00 C ATOM 114 O LEU A 9 -1.970 1.401 3.743 1.00 0.00 O ATOM 115 CB LEU A 9 -3.295 3.121 1.479 1.00 0.00 C ATOM 116 CG LEU A 9 -4.778 2.950 1.894 1.00 0.00 C ATOM 117 CD1 LEU A 9 -5.002 3.151 3.401 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.673 3.956 1.154 1.00 0.00 C ATOM 0 H LEU A 9 -3.789 1.145 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.414 2.134 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.822 3.819 2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.265 3.581 0.491 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.040 1.925 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.059 3.019 3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.415 2.420 3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.691 4.157 3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.709 3.816 1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.356 4.971 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.589 3.796 0.079 1.00 0.00 H new ATOM 130 N GLY A 10 -3.336 -0.060 2.694 1.00 0.00 N ATOM 131 CA GLY A 10 -3.701 -0.802 3.903 1.00 0.00 C ATOM 132 C GLY A 10 -2.898 -2.080 4.071 1.00 0.00 C ATOM 133 O GLY A 10 -1.946 -2.140 4.842 1.00 0.00 O ATOM 0 H GLY A 10 -3.730 -0.443 1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.550 -0.165 4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.763 -1.047 3.868 1.00 0.00 H new ATOM 137 N PHE A 11 -3.322 -3.114 3.348 1.00 0.00 N ATOM 138 CA PHE A 11 -2.770 -4.463 3.364 1.00 0.00 C ATOM 139 C PHE A 11 -1.262 -4.461 3.053 1.00 0.00 C ATOM 140 O PHE A 11 -0.471 -5.044 3.792 1.00 0.00 O ATOM 141 CB PHE A 11 -3.579 -5.292 2.348 1.00 0.00 C ATOM 142 CG PHE A 11 -3.309 -6.781 2.392 1.00 0.00 C ATOM 143 CD1 PHE A 11 -2.294 -7.341 1.591 1.00 0.00 C ATOM 144 CD2 PHE A 11 -4.080 -7.613 3.226 1.00 0.00 C ATOM 145 CE1 PHE A 11 -2.053 -8.725 1.625 1.00 0.00 C ATOM 146 CE2 PHE A 11 -3.838 -8.998 3.258 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.826 -9.554 2.457 1.00 0.00 C ATOM 0 H PHE A 11 -4.104 -3.026 2.699 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.856 -4.905 4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.641 -5.123 2.525 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.361 -4.926 1.345 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.701 -6.706 0.950 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.858 -7.187 3.842 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.273 -9.152 1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.430 -9.635 3.899 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.642 -10.618 2.480 1.00 0.00 H new ATOM 157 N LEU A 12 -0.864 -3.764 1.984 1.00 0.00 N ATOM 158 CA LEU A 12 0.516 -3.507 1.591 1.00 0.00 C ATOM 159 C LEU A 12 1.149 -2.474 2.525 1.00 0.00 C ATOM 160 O LEU A 12 2.263 -2.700 2.985 1.00 0.00 O ATOM 161 CB LEU A 12 0.536 -3.063 0.115 1.00 0.00 C ATOM 162 CG LEU A 12 1.791 -2.286 -0.339 1.00 0.00 C ATOM 163 CD1 LEU A 12 3.050 -3.157 -0.294 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.589 -1.752 -1.763 1.00 0.00 C ATOM 0 H LEU A 12 -1.534 -3.344 1.339 1.00 0.00 H new ATOM 0 HA LEU A 12 1.115 -4.413 1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.434 -3.949 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.339 -2.440 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 12 1.931 -1.457 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.909 -2.572 -0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.215 -3.505 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.923 -4.015 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.478 -1.205 -2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.418 -2.586 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.727 -1.085 -1.783 1.00 0.00 H new ATOM 176 N GLY A 13 0.462 -1.370 2.837 1.00 0.00 N ATOM 177 CA GLY A 13 1.067 -0.277 3.599 1.00 0.00 C ATOM 178 C GLY A 13 1.366 -0.651 5.053 1.00 0.00 C ATOM 179 O GLY A 13 2.310 -0.119 5.633 1.00 0.00 O ATOM 0 H GLY A 13 -0.511 -1.212 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.993 0.029 3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.398 0.583 3.582 1.00 0.00 H new ATOM 183 N ALA A 14 0.678 -1.649 5.620 1.00 0.00 N ATOM 184 CA ALA A 14 1.067 -2.253 6.890 1.00 0.00 C ATOM 185 C ALA A 14 2.466 -2.876 6.784 1.00 0.00 C ATOM 186 O ALA A 14 3.283 -2.723 7.689 1.00 0.00 O ATOM 187 CB ALA A 14 0.028 -3.306 7.291 1.00 0.00 C ATOM 0 H ALA A 14 -0.162 -2.057 5.209 1.00 0.00 H new ATOM 0 HA ALA A 14 1.105 -1.482 7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.316 -3.759 8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.948 -2.832 7.397 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.024 -4.077 6.522 1.00 0.00 H new ATOM 193 N ALA A 15 2.757 -3.557 5.670 1.00 0.00 N ATOM 194 CA ALA A 15 4.089 -4.006 5.278 1.00 0.00 C ATOM 195 C ALA A 15 4.957 -2.929 4.637 1.00 0.00 C ATOM 196 O ALA A 15 5.969 -3.261 4.015 1.00 0.00 O ATOM 197 CB ALA A 15 3.999 -5.200 4.335 1.00 0.00 C ATOM 0 H ALA A 15 2.040 -3.818 4.993 1.00 0.00 H new ATOM 0 HA ALA A 15 4.577 -4.286 6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.003 -5.519 4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.484 -6.020 4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.446 -4.916 3.440 1.00 0.00 H new ATOM 203 N GLY A 16 4.607 -1.650 4.758 1.00 0.00 N ATOM 204 CA GLY A 16 5.070 -0.583 3.867 1.00 0.00 C ATOM 205 C GLY A 16 6.524 -0.175 4.122 1.00 0.00 C ATOM 206 O GLY A 16 6.952 0.897 3.705 1.00 0.00 O ATOM 0 H GLY A 16 3.981 -1.318 5.492 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.967 -0.912 2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.428 0.289 3.990 1.00 0.00 H new ATOM 210 N SER A 17 7.277 -1.041 4.811 1.00 0.00 N ATOM 211 CA SER A 17 8.735 -1.042 4.843 1.00 0.00 C ATOM 212 C SER A 17 9.361 -1.838 3.685 1.00 0.00 C ATOM 213 O SER A 17 10.572 -1.746 3.500 1.00 0.00 O ATOM 214 CB SER A 17 9.199 -1.611 6.186 1.00 0.00 C ATOM 215 OG SER A 17 8.601 -0.880 7.237 1.00 0.00 O ATOM 0 H SER A 17 6.869 -1.783 5.379 1.00 0.00 H new ATOM 0 HA SER A 17 9.071 -0.012 4.724 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.928 -2.664 6.260 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.285 -1.555 6.261 1.00 0.00 H new ATOM 0 HG SER A 17 8.896 -1.244 8.098 1.00 0.00 H new ATOM 221 N THR A 18 8.585 -2.649 2.944 1.00 0.00 N ATOM 222 CA THR A 18 9.101 -3.406 1.804 1.00 0.00 C ATOM 223 C THR A 18 9.335 -2.455 0.620 1.00 0.00 C ATOM 224 O THR A 18 10.481 -2.172 0.273 1.00 0.00 O ATOM 225 CB THR A 18 8.221 -4.649 1.529 1.00 0.00 C ATOM 226 OG1 THR A 18 8.866 -5.511 0.617 1.00 0.00 O ATOM 227 CG2 THR A 18 6.800 -4.401 0.998 1.00 0.00 C ATOM 0 H THR A 18 7.591 -2.793 3.122 1.00 0.00 H new ATOM 0 HA THR A 18 10.081 -3.831 2.019 1.00 0.00 H new ATOM 0 HB THR A 18 8.097 -5.080 2.522 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.301 -6.295 0.452 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.295 -5.356 0.850 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.242 -3.803 1.718 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.854 -3.868 0.049 1.00 0.00 H new ATOM 235 N VAL A 19 8.270 -1.933 0.000 1.00 0.00 N ATOM 236 CA VAL A 19 8.262 -0.607 -0.608 1.00 0.00 C ATOM 237 C VAL A 19 8.927 0.422 0.315 1.00 0.00 C ATOM 238 O VAL A 19 8.840 0.307 1.536 1.00 0.00 O ATOM 239 CB VAL A 19 6.831 -0.197 -1.018 1.00 0.00 C ATOM 240 CG1 VAL A 19 6.313 -1.091 -2.154 1.00 0.00 C ATOM 241 CG2 VAL A 19 5.822 -0.220 0.141 1.00 0.00 C ATOM 0 H VAL A 19 7.383 -2.428 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 19 8.854 -0.640 -1.522 1.00 0.00 H new ATOM 0 HB VAL A 19 6.911 0.837 -1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.303 -0.784 -2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.968 -0.995 -3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.300 -2.129 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.840 0.080 -0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.764 -1.228 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.146 0.472 0.919 1.00 0.00 H new ATOM 251 N GLY A 20 9.477 1.503 -0.246 1.00 0.00 N ATOM 252 CA GLY A 20 9.916 2.650 0.541 1.00 0.00 C ATOM 253 C GLY A 20 8.720 3.533 0.886 1.00 0.00 C ATOM 254 O GLY A 20 8.646 4.652 0.385 1.00 0.00 O ATOM 0 H GLY A 20 9.628 1.604 -1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.403 2.310 1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.654 3.225 -0.019 1.00 0.00 H new ATOM 258 N ALA A 21 7.770 3.020 1.686 1.00 0.00 N ATOM 259 CA ALA A 21 6.510 3.674 2.059 1.00 0.00 C ATOM 260 C ALA A 21 5.726 4.257 0.866 1.00 0.00 C ATOM 261 O ALA A 21 4.971 5.215 1.023 1.00 0.00 O ATOM 262 CB ALA A 21 6.771 4.696 3.175 1.00 0.00 C ATOM 0 H ALA A 21 7.867 2.096 2.108 1.00 0.00 H new ATOM 0 HA ALA A 21 5.841 2.905 2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.834 5.181 3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.186 4.187 4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.478 5.447 2.823 1.00 0.00 H new ATOM 268 N ALA A 22 5.870 3.679 -0.336 1.00 0.00 N ATOM 269 CA ALA A 22 5.185 4.139 -1.549 1.00 0.00 C ATOM 270 C ALA A 22 3.656 4.045 -1.422 1.00 0.00 C ATOM 271 O ALA A 22 2.923 4.802 -2.053 1.00 0.00 O ATOM 272 CB ALA A 22 5.673 3.325 -2.752 1.00 0.00 C ATOM 0 H ALA A 22 6.472 2.871 -0.493 1.00 0.00 H new ATOM 0 HA ALA A 22 5.428 5.192 -1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.164 3.667 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.748 3.459 -2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.454 2.270 -2.590 1.00 0.00 H new ATOM 278 N SER A 23 3.186 3.099 -0.611 1.00 0.00 N ATOM 279 CA SER A 23 1.814 2.890 -0.176 1.00 0.00 C ATOM 280 C SER A 23 1.315 3.922 0.844 1.00 0.00 C ATOM 281 O SER A 23 0.111 3.987 1.096 1.00 0.00 O ATOM 282 CB SER A 23 1.804 1.511 0.500 1.00 0.00 C ATOM 283 OG SER A 23 2.997 1.286 1.248 1.00 0.00 O ATOM 0 H SER A 23 3.812 2.401 -0.209 1.00 0.00 H new ATOM 0 HA SER A 23 1.157 2.978 -1.041 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.940 1.435 1.160 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.696 0.734 -0.257 1.00 0.00 H new ATOM 0 HG SER A 23 3.236 2.101 1.736 1.00 0.00 H new ATOM 289 N GLY A 24 2.221 4.688 1.456 1.00 0.00 N ATOM 290 CA GLY A 24 2.117 4.985 2.876 1.00 0.00 C ATOM 291 C GLY A 24 2.894 3.908 3.635 1.00 0.00 C ATOM 292 O GLY A 24 3.068 2.799 3.066 1.00 0.00 O ATOM 0 H GLY A 24 3.026 5.108 0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.524 5.973 3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.073 4.995 3.189 1.00 0.00 H new TER 296 GLY A 24