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+ 150:sc= 0.0113 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -141:sc= 0.383 USER MOD Single : A 23 SER OG : rot -34:sc= 0.89 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.338 5.689 -1.581 1.00 0.00 N ATOM 2 CA ALA A 1 -8.987 4.272 -1.380 1.00 0.00 C ATOM 3 C ALA A 1 -10.188 3.569 -0.750 1.00 0.00 C ATOM 4 O ALA A 1 -10.672 4.061 0.264 1.00 0.00 O ATOM 5 CB ALA A 1 -7.743 4.169 -0.490 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.480 6.272 -1.512 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.765 5.811 -2.521 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.017 5.985 -0.851 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.751 3.791 -2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.486 3.120 -0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.910 4.683 -0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.947 4.631 0.476 1.00 0.00 H new ATOM 13 N VAL A 2 -10.716 2.504 -1.377 1.00 0.00 N ATOM 14 CA VAL A 2 -11.972 1.865 -0.957 1.00 0.00 C ATOM 15 C VAL A 2 -11.870 0.333 -1.056 1.00 0.00 C ATOM 16 O VAL A 2 -11.866 -0.337 -0.031 1.00 0.00 O ATOM 17 CB VAL A 2 -13.183 2.431 -1.749 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.511 1.825 -1.265 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.304 3.962 -1.644 1.00 0.00 C ATOM 0 H VAL A 2 -10.283 2.063 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.144 2.105 0.092 1.00 0.00 H new ATOM 0 HB VAL A 2 -12.994 2.156 -2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.335 2.245 -1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.488 0.744 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.653 2.056 -0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.168 4.299 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.429 4.246 -0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.401 4.426 -2.041 1.00 0.00 H new ATOM 29 N GLY A 3 -11.866 -0.224 -2.274 1.00 0.00 N ATOM 30 CA GLY A 3 -11.685 -1.644 -2.542 1.00 0.00 C ATOM 31 C GLY A 3 -10.206 -2.000 -2.564 1.00 0.00 C ATOM 32 O GLY A 3 -9.491 -1.872 -1.574 1.00 0.00 O ATOM 0 H GLY A 3 -11.993 0.326 -3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.195 -2.232 -1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.141 -1.900 -3.499 1.00 0.00 H new ATOM 36 N ILE A 4 -9.728 -2.356 -3.758 1.00 0.00 N ATOM 37 CA ILE A 4 -8.343 -2.772 -3.999 1.00 0.00 C ATOM 38 C ILE A 4 -7.369 -1.664 -3.570 1.00 0.00 C ATOM 39 O ILE A 4 -6.307 -1.946 -3.022 1.00 0.00 O ATOM 40 CB ILE A 4 -8.149 -3.181 -5.480 1.00 0.00 C ATOM 41 CG1 ILE A 4 -9.176 -4.234 -5.966 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.717 -3.684 -5.745 1.00 0.00 C ATOM 43 CD1 ILE A 4 -9.211 -5.544 -5.165 1.00 0.00 C ATOM 0 H ILE A 4 -10.303 -2.364 -4.601 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.123 -3.650 -3.391 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.322 -2.272 -6.056 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.169 -3.786 -5.940 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.961 -4.471 -7.008 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.617 -3.962 -6.794 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.004 -2.893 -5.510 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.515 -4.553 -5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.963 -6.210 -5.589 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.234 -6.025 -5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.461 -5.329 -4.126 1.00 0.00 H new ATOM 55 N GLY A 5 -7.767 -0.399 -3.735 1.00 0.00 N ATOM 56 CA GLY A 5 -6.973 0.761 -3.354 1.00 0.00 C ATOM 57 C GLY A 5 -6.773 0.840 -1.842 1.00 0.00 C ATOM 58 O GLY A 5 -5.729 1.304 -1.388 1.00 0.00 O ATOM 0 H GLY A 5 -8.668 -0.154 -4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.002 0.715 -3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.465 1.669 -3.703 1.00 0.00 H new ATOM 62 N ALA A 6 -7.759 0.388 -1.055 1.00 0.00 N ATOM 63 CA ALA A 6 -7.621 0.282 0.389 1.00 0.00 C ATOM 64 C ALA A 6 -6.624 -0.812 0.763 1.00 0.00 C ATOM 65 O ALA A 6 -5.909 -0.653 1.744 1.00 0.00 O ATOM 66 CB ALA A 6 -8.987 0.043 1.026 1.00 0.00 C ATOM 0 H ALA A 6 -8.668 0.089 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.226 1.221 0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.875 -0.035 2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.650 0.875 0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.413 -0.882 0.637 1.00 0.00 H new ATOM 72 N LEU A 7 -6.515 -1.894 -0.016 1.00 0.00 N ATOM 73 CA LEU A 7 -5.450 -2.877 0.162 1.00 0.00 C ATOM 74 C LEU A 7 -4.116 -2.250 -0.213 1.00 0.00 C ATOM 75 O LEU A 7 -3.108 -2.473 0.436 1.00 0.00 O ATOM 76 CB LEU A 7 -5.678 -4.153 -0.676 1.00 0.00 C ATOM 77 CG LEU A 7 -7.139 -4.612 -0.775 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.251 -5.840 -1.686 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.757 -4.933 0.593 1.00 0.00 C ATOM 0 H LEU A 7 -7.157 -2.108 -0.779 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.450 -3.175 1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.298 -3.981 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.087 -4.962 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.698 -3.778 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.293 -6.154 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.889 -5.588 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.650 -6.652 -1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.791 -5.252 0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.189 -5.732 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.730 -4.043 1.222 1.00 0.00 H new ATOM 91 N PHE A 8 -4.109 -1.447 -1.264 1.00 0.00 N ATOM 92 CA PHE A 8 -2.888 -0.887 -1.837 1.00 0.00 C ATOM 93 C PHE A 8 -2.197 0.088 -0.886 1.00 0.00 C ATOM 94 O PHE A 8 -1.003 0.004 -0.617 1.00 0.00 O ATOM 95 CB PHE A 8 -3.294 -0.114 -3.082 1.00 0.00 C ATOM 96 CG PHE A 8 -2.260 -0.157 -4.188 1.00 0.00 C ATOM 97 CD1 PHE A 8 -1.162 0.724 -4.170 1.00 0.00 C ATOM 98 CD2 PHE A 8 -2.371 -1.116 -5.215 1.00 0.00 C ATOM 99 CE1 PHE A 8 -0.183 0.648 -5.176 1.00 0.00 C ATOM 100 CE2 PHE A 8 -1.392 -1.188 -6.221 1.00 0.00 C ATOM 101 CZ PHE A 8 -0.297 -0.307 -6.202 1.00 0.00 C ATOM 0 H PHE A 8 -4.958 -1.160 -1.751 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.194 -1.701 -2.046 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.234 -0.517 -3.459 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.479 0.925 -2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.072 1.458 -3.383 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.210 -1.796 -5.229 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.659 1.325 -5.161 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.481 -1.921 -7.009 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.456 -0.363 -6.974 1.00 0.00 H new ATOM 111 N LEU A 9 -2.987 1.018 -0.360 1.00 0.00 N ATOM 112 CA LEU A 9 -2.549 1.973 0.639 1.00 0.00 C ATOM 113 C LEU A 9 -2.371 1.234 1.961 1.00 0.00 C ATOM 114 O LEU A 9 -1.487 1.557 2.748 1.00 0.00 O ATOM 115 CB LEU A 9 -3.628 3.072 0.727 1.00 0.00 C ATOM 116 CG LEU A 9 -3.680 3.849 2.053 1.00 0.00 C ATOM 117 CD1 LEU A 9 -2.430 4.709 2.290 1.00 0.00 C ATOM 118 CD2 LEU A 9 -4.915 4.759 2.057 1.00 0.00 C ATOM 0 H LEU A 9 -3.966 1.127 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.596 2.437 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.464 3.782 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.602 2.614 0.557 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.729 3.112 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.524 5.234 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.548 4.070 2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.330 5.435 1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.956 5.312 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.853 5.460 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.814 4.152 1.954 1.00 0.00 H new ATOM 130 N GLY A 10 -3.257 0.271 2.203 1.00 0.00 N ATOM 131 CA GLY A 10 -3.493 -0.242 3.553 1.00 0.00 C ATOM 132 C GLY A 10 -2.766 -1.550 3.819 1.00 0.00 C ATOM 133 O GLY A 10 -1.814 -1.584 4.590 1.00 0.00 O ATOM 0 H GLY A 10 -3.825 -0.172 1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.171 0.502 4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.563 -0.390 3.699 1.00 0.00 H new ATOM 137 N PHE A 11 -3.226 -2.634 3.199 1.00 0.00 N ATOM 138 CA PHE A 11 -2.685 -3.982 3.354 1.00 0.00 C ATOM 139 C PHE A 11 -1.212 -4.045 2.907 1.00 0.00 C ATOM 140 O PHE A 11 -0.347 -4.506 3.651 1.00 0.00 O ATOM 141 CB PHE A 11 -3.584 -4.933 2.540 1.00 0.00 C ATOM 142 CG PHE A 11 -3.272 -6.405 2.716 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.892 -7.141 3.744 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.372 -7.046 1.842 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.618 -8.512 3.892 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.098 -8.416 1.993 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.722 -9.150 3.017 1.00 0.00 C ATOM 0 H PHE A 11 -4.014 -2.597 2.552 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.688 -4.282 4.402 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.622 -4.759 2.822 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.494 -4.680 1.483 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.579 -6.652 4.419 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.892 -6.484 1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.097 -9.076 4.679 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.408 -8.905 1.322 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.513 -10.203 3.131 1.00 0.00 H new ATOM 157 N LEU A 12 -0.917 -3.514 1.716 1.00 0.00 N ATOM 158 CA LEU A 12 0.421 -3.354 1.159 1.00 0.00 C ATOM 159 C LEU A 12 1.205 -2.320 1.969 1.00 0.00 C ATOM 160 O LEU A 12 2.355 -2.583 2.306 1.00 0.00 O ATOM 161 CB LEU A 12 0.299 -3.004 -0.339 1.00 0.00 C ATOM 162 CG LEU A 12 1.483 -2.237 -0.967 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.772 -3.068 -0.978 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.147 -1.850 -2.414 1.00 0.00 C ATOM 0 H LEU A 12 -1.643 -3.169 1.088 1.00 0.00 H new ATOM 0 HA LEU A 12 0.988 -4.282 1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.160 -3.931 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.604 -2.410 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 12 1.647 -1.350 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.576 -2.486 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.044 -3.331 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.613 -3.978 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.987 -1.309 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.954 -2.751 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.262 -1.214 -2.424 1.00 0.00 H new ATOM 176 N GLY A 13 0.601 -1.184 2.342 1.00 0.00 N ATOM 177 CA GLY A 13 1.339 -0.158 3.078 1.00 0.00 C ATOM 178 C GLY A 13 1.705 -0.606 4.497 1.00 0.00 C ATOM 179 O GLY A 13 2.779 -0.247 4.977 1.00 0.00 O ATOM 0 H GLY A 13 -0.375 -0.958 2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.249 0.092 2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.739 0.750 3.130 1.00 0.00 H new ATOM 183 N ALA A 14 0.888 -1.448 5.142 1.00 0.00 N ATOM 184 CA ALA A 14 1.231 -2.107 6.401 1.00 0.00 C ATOM 185 C ALA A 14 2.432 -3.043 6.224 1.00 0.00 C ATOM 186 O ALA A 14 3.302 -3.087 7.092 1.00 0.00 O ATOM 187 CB ALA A 14 0.020 -2.877 6.939 1.00 0.00 C ATOM 0 H ALA A 14 -0.041 -1.691 4.797 1.00 0.00 H new ATOM 0 HA ALA A 14 1.510 -1.341 7.125 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.286 -3.364 7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.804 -2.185 7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.284 -3.630 6.212 1.00 0.00 H new ATOM 193 N ALA A 15 2.525 -3.741 5.084 1.00 0.00 N ATOM 194 CA ALA A 15 3.717 -4.489 4.687 1.00 0.00 C ATOM 195 C ALA A 15 4.821 -3.610 4.098 1.00 0.00 C ATOM 196 O ALA A 15 5.774 -4.120 3.505 1.00 0.00 O ATOM 197 CB ALA A 15 3.356 -5.601 3.708 1.00 0.00 C ATOM 0 H ALA A 15 1.764 -3.800 4.407 1.00 0.00 H new ATOM 0 HA ALA A 15 4.117 -4.922 5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.258 -6.144 3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.652 -6.286 4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.900 -5.168 2.818 1.00 0.00 H new ATOM 203 N GLY A 16 4.737 -2.295 4.286 1.00 0.00 N ATOM 204 CA GLY A 16 5.711 -1.320 3.828 1.00 0.00 C ATOM 205 C GLY A 16 6.962 -1.341 4.701 1.00 0.00 C ATOM 206 O GLY A 16 7.488 -0.290 5.047 1.00 0.00 O ATOM 0 H GLY A 16 3.955 -1.867 4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.982 -1.531 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.269 -0.324 3.845 1.00 0.00 H new ATOM 210 N SER A 17 7.433 -2.536 5.069 1.00 0.00 N ATOM 211 CA SER A 17 8.600 -2.738 5.921 1.00 0.00 C ATOM 212 C SER A 17 9.916 -2.350 5.227 1.00 0.00 C ATOM 213 O SER A 17 10.945 -2.239 5.891 1.00 0.00 O ATOM 214 CB SER A 17 8.640 -4.204 6.367 1.00 0.00 C ATOM 215 OG SER A 17 7.370 -4.623 6.836 1.00 0.00 O ATOM 0 H SER A 17 6.999 -3.410 4.773 1.00 0.00 H new ATOM 0 HA SER A 17 8.505 -2.081 6.786 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.951 -4.834 5.533 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.383 -4.329 7.155 1.00 0.00 H new ATOM 0 HG SER A 17 7.417 -5.562 7.114 1.00 0.00 H new ATOM 221 N THR A 18 9.897 -2.149 3.904 1.00 0.00 N ATOM 222 CA THR A 18 10.994 -1.565 3.144 1.00 0.00 C ATOM 223 C THR A 18 10.817 -0.044 3.084 1.00 0.00 C ATOM 224 O THR A 18 9.702 0.451 2.926 1.00 0.00 O ATOM 225 CB THR A 18 11.065 -2.204 1.739 1.00 0.00 C ATOM 226 OG1 THR A 18 12.082 -1.580 0.977 1.00 0.00 O ATOM 227 CG2 THR A 18 9.756 -2.151 0.937 1.00 0.00 C ATOM 0 H THR A 18 9.096 -2.396 3.324 1.00 0.00 H new ATOM 0 HA THR A 18 11.944 -1.771 3.637 1.00 0.00 H new ATOM 0 HB THR A 18 11.278 -3.258 1.918 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.781 -1.479 0.050 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.905 -2.623 -0.034 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.974 -2.680 1.482 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.459 -1.112 0.793 1.00 0.00 H new ATOM 235 N VAL A 19 11.936 0.691 3.131 1.00 0.00 N ATOM 236 CA VAL A 19 12.054 2.081 2.683 1.00 0.00 C ATOM 237 C VAL A 19 11.351 2.316 1.331 1.00 0.00 C ATOM 238 O VAL A 19 10.802 3.390 1.102 1.00 0.00 O ATOM 239 CB VAL A 19 13.539 2.517 2.672 1.00 0.00 C ATOM 240 CG1 VAL A 19 13.698 4.013 2.358 1.00 0.00 C ATOM 241 CG2 VAL A 19 14.229 2.247 4.023 1.00 0.00 C ATOM 0 H VAL A 19 12.813 0.319 3.495 1.00 0.00 H new ATOM 0 HA VAL A 19 11.531 2.717 3.398 1.00 0.00 H new ATOM 0 HB VAL A 19 14.009 1.922 1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.756 4.275 2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.274 4.226 1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.177 4.601 3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.269 2.568 3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.717 2.801 4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.189 1.181 4.245 1.00 0.00 H new ATOM 251 N GLY A 20 11.323 1.316 0.437 1.00 0.00 N ATOM 252 CA GLY A 20 10.679 1.398 -0.871 1.00 0.00 C ATOM 253 C GLY A 20 9.153 1.280 -0.803 1.00 0.00 C ATOM 254 O GLY A 20 8.569 0.604 -1.647 1.00 0.00 O ATOM 0 H GLY A 20 11.759 0.411 0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.943 2.346 -1.339 1.00 0.00 H new ATOM 0 HA3 GLY A 20 11.070 0.607 -1.511 1.00 0.00 H new ATOM 258 N ALA A 21 8.508 1.888 0.198 1.00 0.00 N ATOM 259 CA ALA A 21 7.066 1.869 0.407 1.00 0.00 C ATOM 260 C ALA A 21 6.627 3.142 1.141 1.00 0.00 C ATOM 261 O ALA A 21 7.456 3.951 1.552 1.00 0.00 O ATOM 262 CB ALA A 21 6.687 0.621 1.213 1.00 0.00 C ATOM 0 H ALA A 21 9.001 2.427 0.910 1.00 0.00 H new ATOM 0 HA ALA A 21 6.556 1.836 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.609 0.604 1.371 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.988 -0.272 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.195 0.642 2.177 1.00 0.00 H new ATOM 268 N ALA A 22 5.314 3.296 1.349 1.00 0.00 N ATOM 269 CA ALA A 22 4.705 4.497 1.920 1.00 0.00 C ATOM 270 C ALA A 22 5.187 4.803 3.346 1.00 0.00 C ATOM 271 O ALA A 22 5.156 5.959 3.757 1.00 0.00 O ATOM 272 CB ALA A 22 3.180 4.344 1.897 1.00 0.00 C ATOM 0 H ALA A 22 4.633 2.572 1.119 1.00 0.00 H new ATOM 0 HA ALA A 22 5.015 5.343 1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.718 5.236 2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.843 4.215 0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.893 3.472 2.485 1.00 0.00 H new ATOM 278 N SER A 23 5.582 3.777 4.108 1.00 0.00 N ATOM 279 CA SER A 23 6.135 3.923 5.451 1.00 0.00 C ATOM 280 C SER A 23 7.606 4.381 5.470 1.00 0.00 C ATOM 281 O SER A 23 8.120 4.579 6.575 1.00 0.00 O ATOM 282 CB SER A 23 5.973 2.613 6.232 1.00 0.00 C ATOM 283 OG SER A 23 6.323 2.827 7.584 1.00 0.00 O ATOM 0 H SER A 23 5.524 2.807 3.799 1.00 0.00 H new ATOM 0 HA SER A 23 5.566 4.718 5.933 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.944 2.260 6.163 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.606 1.838 5.799 1.00 0.00 H new ATOM 0 HG SER A 23 7.043 3.490 7.635 1.00 0.00 H new ATOM 289 N GLY A 24 8.302 4.417 4.324 1.00 0.00 N ATOM 290 CA GLY A 24 9.720 4.749 4.239 1.00 0.00 C ATOM 291 C GLY A 24 10.008 6.205 4.585 1.00 0.00 C ATOM 292 O GLY A 24 9.174 7.066 4.228 1.00 0.00 O ATOM 0 H GLY A 24 7.882 4.211 3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.281 4.102 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.077 4.543 3.230 1.00 0.00 H new TER 296 GLY A 24