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+ 138:sc= 0.0185 (180deg=0) 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 -32:sc= 0.708 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.530 5.674 -1.311 1.00 0.00 N ATOM 2 CA ALA A 1 -9.153 4.253 -1.200 1.00 0.00 C ATOM 3 C ALA A 1 -10.363 3.482 -0.680 1.00 0.00 C ATOM 4 O ALA A 1 -10.930 3.912 0.321 1.00 0.00 O ATOM 5 CB ALA A 1 -7.950 4.106 -0.262 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.750 6.268 -0.964 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.725 5.905 -2.306 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.381 5.853 -0.741 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.861 3.852 -2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.676 3.054 -0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.107 4.672 -0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.210 4.488 0.725 1.00 0.00 H new ATOM 13 N VAL A 2 -10.805 2.424 -1.380 1.00 0.00 N ATOM 14 CA VAL A 2 -12.045 1.707 -1.048 1.00 0.00 C ATOM 15 C VAL A 2 -11.867 0.190 -1.227 1.00 0.00 C ATOM 16 O VAL A 2 -11.872 -0.538 -0.241 1.00 0.00 O ATOM 17 CB VAL A 2 -13.251 2.255 -1.859 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.566 1.601 -1.401 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.422 3.780 -1.747 1.00 0.00 C ATOM 0 H VAL A 2 -10.314 2.044 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.267 1.885 0.004 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.031 2.007 -2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.395 2.002 -1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.507 0.523 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.730 1.814 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.283 4.094 -2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.579 4.053 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.526 4.275 -2.120 1.00 0.00 H new ATOM 29 N GLY A 3 -11.797 -0.294 -2.473 1.00 0.00 N ATOM 30 CA GLY A 3 -11.560 -1.686 -2.823 1.00 0.00 C ATOM 31 C GLY A 3 -10.072 -1.999 -2.807 1.00 0.00 C ATOM 32 O GLY A 3 -9.399 -1.916 -1.785 1.00 0.00 O ATOM 0 H GLY A 3 -11.909 0.303 -3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.081 -2.336 -2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.969 -1.892 -3.812 1.00 0.00 H new ATOM 36 N ILE A 4 -9.537 -2.267 -4.002 1.00 0.00 N ATOM 37 CA ILE A 4 -8.133 -2.630 -4.214 1.00 0.00 C ATOM 38 C ILE A 4 -7.207 -1.527 -3.675 1.00 0.00 C ATOM 39 O ILE A 4 -6.159 -1.813 -3.101 1.00 0.00 O ATOM 40 CB ILE A 4 -7.880 -2.937 -5.711 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.850 -3.996 -6.292 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.424 -3.367 -5.963 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.859 -5.351 -5.571 1.00 0.00 C ATOM 0 H ILE A 4 -10.079 -2.237 -4.866 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.905 -3.538 -3.656 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.072 -2.000 -6.235 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.860 -3.587 -6.273 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.594 -4.163 -7.338 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.284 -3.574 -7.024 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.750 -2.567 -5.658 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.205 -4.265 -5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.571 -6.017 -6.058 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.863 -5.792 -5.612 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.149 -5.207 -4.530 1.00 0.00 H new ATOM 55 N GLY A 5 -7.635 -0.266 -3.773 1.00 0.00 N ATOM 56 CA GLY A 5 -6.872 0.881 -3.306 1.00 0.00 C ATOM 57 C GLY A 5 -6.758 0.910 -1.782 1.00 0.00 C ATOM 58 O GLY A 5 -5.779 1.430 -1.251 1.00 0.00 O ATOM 0 H GLY A 5 -8.534 -0.016 -4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.874 0.855 -3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.348 1.798 -3.652 1.00 0.00 H new ATOM 62 N ALA A 6 -7.749 0.361 -1.066 1.00 0.00 N ATOM 63 CA ALA A 6 -7.656 0.165 0.372 1.00 0.00 C ATOM 64 C ALA A 6 -6.624 -0.907 0.717 1.00 0.00 C ATOM 65 O ALA A 6 -5.940 -0.775 1.726 1.00 0.00 O ATOM 66 CB ALA A 6 -9.033 -0.168 0.934 1.00 0.00 C ATOM 0 H ALA A 6 -8.629 0.045 -1.472 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.313 1.090 0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.960 -0.314 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.720 0.652 0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.405 -1.080 0.468 1.00 0.00 H new ATOM 72 N LEU A 7 -6.459 -1.941 -0.118 1.00 0.00 N ATOM 73 CA LEU A 7 -5.392 -2.916 0.049 1.00 0.00 C ATOM 74 C LEU A 7 -4.061 -2.246 -0.217 1.00 0.00 C ATOM 75 O LEU A 7 -3.098 -2.500 0.485 1.00 0.00 O ATOM 76 CB LEU A 7 -5.536 -4.139 -0.880 1.00 0.00 C ATOM 77 CG LEU A 7 -6.974 -4.621 -1.098 1.00 0.00 C ATOM 78 CD1 LEU A 7 -6.998 -5.775 -2.107 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.656 -5.064 0.204 1.00 0.00 C ATOM 0 H LEU A 7 -7.062 -2.118 -0.922 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.452 -3.283 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.100 -3.894 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.952 -4.961 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.534 -3.771 -1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.025 -6.109 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.588 -5.435 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.398 -6.602 -1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.672 -5.395 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.093 -5.885 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.688 -4.227 0.901 1.00 0.00 H new ATOM 91 N PHE A 8 -4.002 -1.372 -1.212 1.00 0.00 N ATOM 92 CA PHE A 8 -2.731 -0.726 -1.541 1.00 0.00 C ATOM 93 C PHE A 8 -2.261 0.176 -0.402 1.00 0.00 C ATOM 94 O PHE A 8 -1.162 0.020 0.123 1.00 0.00 O ATOM 95 CB PHE A 8 -2.943 0.196 -2.733 1.00 0.00 C ATOM 96 CG PHE A 8 -2.525 -0.377 -4.073 1.00 0.00 C ATOM 97 CD1 PHE A 8 -3.118 -1.555 -4.566 1.00 0.00 C ATOM 98 CD2 PHE A 8 -1.513 0.259 -4.820 1.00 0.00 C ATOM 99 CE1 PHE A 8 -2.717 -2.085 -5.805 1.00 0.00 C ATOM 100 CE2 PHE A 8 -1.115 -0.270 -6.061 1.00 0.00 C ATOM 101 CZ PHE A 8 -1.719 -1.440 -6.555 1.00 0.00 C ATOM 0 H PHE A 8 -4.793 -1.097 -1.794 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.002 -1.512 -1.736 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.999 0.462 -2.783 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.389 1.119 -2.561 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.884 -2.053 -3.990 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.043 1.153 -4.439 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.176 -2.988 -6.180 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.345 0.223 -6.635 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.416 -1.843 -7.510 1.00 0.00 H new ATOM 111 N LEU A 9 -3.164 1.037 0.064 1.00 0.00 N ATOM 112 CA LEU A 9 -2.866 1.977 1.133 1.00 0.00 C ATOM 113 C LEU A 9 -2.636 1.200 2.427 1.00 0.00 C ATOM 114 O LEU A 9 -1.823 1.567 3.270 1.00 0.00 O ATOM 115 CB LEU A 9 -4.069 2.936 1.243 1.00 0.00 C ATOM 116 CG LEU A 9 -4.204 3.662 2.591 1.00 0.00 C ATOM 117 CD1 LEU A 9 -3.049 4.643 2.842 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.533 4.428 2.635 1.00 0.00 C ATOM 0 H LEU A 9 -4.119 1.099 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.963 2.554 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.992 3.682 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.983 2.370 1.060 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.174 2.903 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.189 5.131 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.104 4.100 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.033 5.395 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.625 4.942 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.558 5.159 1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.360 3.728 2.517 1.00 0.00 H new ATOM 130 N GLY A 10 -3.426 0.146 2.575 1.00 0.00 N ATOM 131 CA GLY A 10 -3.653 -0.516 3.853 1.00 0.00 C ATOM 132 C GLY A 10 -2.844 -1.795 3.985 1.00 0.00 C ATOM 133 O GLY A 10 -1.911 -1.865 4.779 1.00 0.00 O ATOM 0 H GLY A 10 -3.935 -0.280 1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.391 0.163 4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.713 -0.746 3.959 1.00 0.00 H new ATOM 137 N PHE A 11 -3.220 -2.818 3.221 1.00 0.00 N ATOM 138 CA PHE A 11 -2.631 -4.150 3.258 1.00 0.00 C ATOM 139 C PHE A 11 -1.148 -4.115 2.838 1.00 0.00 C ATOM 140 O PHE A 11 -0.282 -4.619 3.553 1.00 0.00 O ATOM 141 CB PHE A 11 -3.485 -5.058 2.348 1.00 0.00 C ATOM 142 CG PHE A 11 -3.176 -6.534 2.496 1.00 0.00 C ATOM 143 CD1 PHE A 11 -2.176 -7.130 1.703 1.00 0.00 C ATOM 144 CD2 PHE A 11 -3.883 -7.313 3.432 1.00 0.00 C ATOM 145 CE1 PHE A 11 -1.889 -8.500 1.843 1.00 0.00 C ATOM 146 CE2 PHE A 11 -3.596 -8.683 3.569 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.601 -9.278 2.773 1.00 0.00 C ATOM 0 H PHE A 11 -3.971 -2.737 2.535 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.636 -4.549 4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.539 -4.893 2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.329 -4.766 1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.629 -6.535 0.987 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.647 -6.858 4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.121 -8.955 1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.141 -9.279 4.287 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.384 -10.331 2.876 1.00 0.00 H new ATOM 157 N LEU A 12 -0.850 -3.462 1.711 1.00 0.00 N ATOM 158 CA LEU A 12 0.491 -3.190 1.206 1.00 0.00 C ATOM 159 C LEU A 12 1.183 -2.168 2.107 1.00 0.00 C ATOM 160 O LEU A 12 2.336 -2.397 2.455 1.00 0.00 O ATOM 161 CB LEU A 12 0.410 -2.750 -0.273 1.00 0.00 C ATOM 162 CG LEU A 12 1.503 -1.779 -0.780 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.869 -2.463 -0.889 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.117 -1.208 -2.151 1.00 0.00 C ATOM 0 H LEU A 12 -1.577 -3.092 1.098 1.00 0.00 H new ATOM 0 HA LEU A 12 1.102 -4.093 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.438 -3.645 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.561 -2.281 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 12 1.579 -0.974 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.607 -1.746 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.170 -2.833 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.803 -3.297 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.896 -0.527 -2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.007 -2.023 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.174 -0.668 -2.068 1.00 0.00 H new ATOM 176 N GLY A 13 0.509 -1.090 2.531 1.00 0.00 N ATOM 177 CA GLY A 13 1.171 -0.045 3.309 1.00 0.00 C ATOM 178 C GLY A 13 1.567 -0.534 4.706 1.00 0.00 C ATOM 179 O GLY A 13 2.624 -0.154 5.206 1.00 0.00 O ATOM 0 H GLY A 13 -0.481 -0.924 2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.060 0.294 2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.507 0.815 3.400 1.00 0.00 H new ATOM 183 N ALA A 14 0.804 -1.457 5.309 1.00 0.00 N ATOM 184 CA ALA A 14 1.209 -2.146 6.532 1.00 0.00 C ATOM 185 C ALA A 14 2.502 -2.940 6.304 1.00 0.00 C ATOM 186 O ALA A 14 3.413 -2.881 7.127 1.00 0.00 O ATOM 187 CB ALA A 14 0.080 -3.065 7.010 1.00 0.00 C ATOM 0 H ALA A 14 -0.110 -1.743 4.959 1.00 0.00 H new ATOM 0 HA ALA A 14 1.406 -1.404 7.306 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.388 -3.576 7.922 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.812 -2.472 7.210 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.140 -3.802 6.238 1.00 0.00 H new ATOM 193 N ALA A 15 2.608 -3.642 5.167 1.00 0.00 N ATOM 194 CA ALA A 15 3.842 -4.276 4.707 1.00 0.00 C ATOM 195 C ALA A 15 4.823 -3.313 4.036 1.00 0.00 C ATOM 196 O ALA A 15 5.783 -3.751 3.397 1.00 0.00 O ATOM 197 CB ALA A 15 3.524 -5.436 3.769 1.00 0.00 C ATOM 0 H ALA A 15 1.822 -3.785 4.533 1.00 0.00 H new ATOM 0 HA ALA A 15 4.341 -4.643 5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.453 -5.898 3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.920 -6.175 4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.972 -5.065 2.906 1.00 0.00 H new ATOM 203 N GLY A 16 4.629 -2.006 4.204 1.00 0.00 N ATOM 204 CA GLY A 16 5.393 -0.942 3.566 1.00 0.00 C ATOM 205 C GLY A 16 6.775 -0.779 4.201 1.00 0.00 C ATOM 206 O GLY A 16 7.299 0.329 4.266 1.00 0.00 O ATOM 0 H GLY A 16 3.899 -1.646 4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.504 -1.160 2.504 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.844 -0.003 3.643 1.00 0.00 H new ATOM 210 N SER A 17 7.316 -1.873 4.746 1.00 0.00 N ATOM 211 CA SER A 17 8.416 -1.881 5.693 1.00 0.00 C ATOM 212 C SER A 17 9.762 -1.775 4.972 1.00 0.00 C ATOM 213 O SER A 17 10.538 -0.866 5.256 1.00 0.00 O ATOM 214 CB SER A 17 8.330 -3.156 6.551 1.00 0.00 C ATOM 215 OG SER A 17 6.988 -3.489 6.870 1.00 0.00 O ATOM 0 H SER A 17 6.980 -2.811 4.525 1.00 0.00 H new ATOM 0 HA SER A 17 8.340 -1.012 6.346 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.793 -3.985 6.016 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.897 -3.014 7.471 1.00 0.00 H new ATOM 0 HG SER A 17 6.974 -4.304 7.414 1.00 0.00 H new ATOM 221 N THR A 18 10.064 -2.732 4.083 1.00 0.00 N ATOM 222 CA THR A 18 11.319 -2.766 3.335 1.00 0.00 C ATOM 223 C THR A 18 11.218 -2.019 2.001 1.00 0.00 C ATOM 224 O THR A 18 12.173 -1.338 1.627 1.00 0.00 O ATOM 225 CB THR A 18 11.836 -4.214 3.204 1.00 0.00 C ATOM 226 OG1 THR A 18 13.069 -4.249 2.515 1.00 0.00 O ATOM 227 CG2 THR A 18 10.874 -5.185 2.504 1.00 0.00 C ATOM 0 H THR A 18 9.437 -3.507 3.865 1.00 0.00 H new ATOM 0 HA THR A 18 12.073 -2.220 3.902 1.00 0.00 H new ATOM 0 HB THR A 18 11.943 -4.552 4.235 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.378 -5.176 2.445 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.326 -6.176 2.460 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.939 -5.237 3.062 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.674 -4.832 1.492 1.00 0.00 H new ATOM 235 N VAL A 19 10.125 -2.207 1.248 1.00 0.00 N ATOM 236 CA VAL A 19 9.773 -1.397 0.082 1.00 0.00 C ATOM 237 C VAL A 19 9.972 0.101 0.348 1.00 0.00 C ATOM 238 O VAL A 19 9.625 0.593 1.421 1.00 0.00 O ATOM 239 CB VAL A 19 8.361 -1.737 -0.443 1.00 0.00 C ATOM 240 CG1 VAL A 19 8.308 -3.181 -0.969 1.00 0.00 C ATOM 241 CG2 VAL A 19 7.256 -1.544 0.603 1.00 0.00 C ATOM 0 H VAL A 19 9.448 -2.945 1.441 1.00 0.00 H new ATOM 0 HA VAL A 19 10.465 -1.654 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 19 8.171 -1.031 -1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.304 -3.399 -1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.023 -3.298 -1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.559 -3.871 -0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.292 -1.801 0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.449 -2.190 1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.241 -0.504 0.929 1.00 0.00 H new ATOM 251 N GLY A 20 10.414 0.857 -0.661 1.00 0.00 N ATOM 252 CA GLY A 20 10.608 2.304 -0.572 1.00 0.00 C ATOM 253 C GLY A 20 9.304 3.112 -0.600 1.00 0.00 C ATOM 254 O GLY A 20 9.323 4.261 -1.035 1.00 0.00 O ATOM 0 H GLY A 20 10.650 0.473 -1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 20 11.145 2.532 0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 20 11.241 2.627 -1.399 1.00 0.00 H new ATOM 258 N ALA A 21 8.175 2.520 -0.192 1.00 0.00 N ATOM 259 CA ALA A 21 6.845 3.103 -0.282 1.00 0.00 C ATOM 260 C ALA A 21 6.007 2.652 0.919 1.00 0.00 C ATOM 261 O ALA A 21 5.220 1.712 0.834 1.00 0.00 O ATOM 262 CB ALA A 21 6.202 2.725 -1.623 1.00 0.00 C ATOM 0 H ALA A 21 8.170 1.589 0.224 1.00 0.00 H new ATOM 0 HA ALA A 21 6.905 4.191 -0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.206 3.164 -1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.817 3.102 -2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.126 1.640 -1.697 1.00 0.00 H new ATOM 268 N ALA A 22 6.180 3.340 2.053 1.00 0.00 N ATOM 269 CA ALA A 22 5.402 3.083 3.262 1.00 0.00 C ATOM 270 C ALA A 22 3.920 3.448 3.092 1.00 0.00 C ATOM 271 O ALA A 22 3.066 2.877 3.763 1.00 0.00 O ATOM 272 CB ALA A 22 6.009 3.861 4.433 1.00 0.00 C ATOM 0 H ALA A 22 6.864 4.090 2.155 1.00 0.00 H new ATOM 0 HA ALA A 22 5.444 2.013 3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.429 3.670 5.336 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.039 3.540 4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.991 4.928 4.209 1.00 0.00 H new ATOM 278 N SER A 23 3.613 4.424 2.227 1.00 0.00 N ATOM 279 CA SER A 23 2.271 4.985 2.098 1.00 0.00 C ATOM 280 C SER A 23 1.297 4.106 1.299 1.00 0.00 C ATOM 281 O SER A 23 0.113 4.454 1.263 1.00 0.00 O ATOM 282 CB SER A 23 2.358 6.379 1.464 1.00 0.00 C ATOM 283 OG SER A 23 1.094 7.007 1.529 1.00 0.00 O ATOM 0 H SER A 23 4.295 4.845 1.596 1.00 0.00 H new ATOM 0 HA SER A 23 1.863 5.042 3.107 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.102 6.981 1.985 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.683 6.299 0.427 1.00 0.00 H new ATOM 0 HG SER A 23 0.389 6.331 1.457 1.00 0.00 H new ATOM 289 N GLY A 24 1.768 3.050 0.627 1.00 0.00 N ATOM 290 CA GLY A 24 0.973 2.227 -0.274 1.00 0.00 C ATOM 291 C GLY A 24 1.405 2.415 -1.719 1.00 0.00 C ATOM 292 O GLY A 24 2.597 2.735 -1.922 1.00 0.00 O ATOM 0 H GLY A 24 2.737 2.741 0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.073 1.178 0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.081 2.485 -0.171 1.00 0.00 H new TER 296 GLY A 24