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+ -109:sc= 0.181 (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 -30:sc= 0.756 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.489 5.782 -0.258 1.00 0.00 N ATOM 2 CA ALA A 1 -10.267 4.520 -0.992 1.00 0.00 C ATOM 3 C ALA A 1 -11.287 3.484 -0.523 1.00 0.00 C ATOM 4 O ALA A 1 -11.827 3.656 0.567 1.00 0.00 O ATOM 5 CB ALA A 1 -8.840 4.010 -0.780 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.887 6.494 -0.904 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.152 5.616 0.526 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.584 6.127 0.122 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.397 4.698 -2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.701 3.080 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.130 4.755 -1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.671 3.832 0.282 1.00 0.00 H new ATOM 13 N VAL A 2 -11.568 2.450 -1.331 1.00 0.00 N ATOM 14 CA VAL A 2 -12.655 1.505 -1.053 1.00 0.00 C ATOM 15 C VAL A 2 -12.203 0.050 -1.247 1.00 0.00 C ATOM 16 O VAL A 2 -12.089 -0.675 -0.265 1.00 0.00 O ATOM 17 CB VAL A 2 -13.920 1.862 -1.880 1.00 0.00 C ATOM 18 CG1 VAL A 2 -15.108 0.955 -1.520 1.00 0.00 C ATOM 19 CG2 VAL A 2 -14.361 3.323 -1.681 1.00 0.00 C ATOM 0 H VAL A 2 -11.052 2.248 -2.187 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.928 1.596 -0.002 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.636 1.712 -2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.974 1.235 -2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.847 -0.084 -1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -15.346 1.070 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -15.249 3.520 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -14.589 3.494 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.558 3.991 -1.992 1.00 0.00 H new ATOM 29 N GLY A 3 -12.055 -0.405 -2.498 1.00 0.00 N ATOM 30 CA GLY A 3 -11.714 -1.773 -2.846 1.00 0.00 C ATOM 31 C GLY A 3 -10.213 -1.994 -2.779 1.00 0.00 C ATOM 32 O GLY A 3 -9.565 -1.830 -1.748 1.00 0.00 O ATOM 0 H GLY A 3 -12.175 0.195 -3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.217 -2.461 -2.167 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.074 -1.997 -3.850 1.00 0.00 H new ATOM 36 N ILE A 4 -9.652 -2.279 -3.955 1.00 0.00 N ATOM 37 CA ILE A 4 -8.240 -2.607 -4.138 1.00 0.00 C ATOM 38 C ILE A 4 -7.354 -1.468 -3.623 1.00 0.00 C ATOM 39 O ILE A 4 -6.301 -1.725 -3.048 1.00 0.00 O ATOM 40 CB ILE A 4 -7.955 -2.949 -5.621 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.882 -4.054 -6.187 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.483 -3.345 -5.836 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.878 -5.381 -5.413 1.00 0.00 C ATOM 0 H ILE A 4 -10.181 -2.288 -4.827 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.998 -3.492 -3.550 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.167 -2.034 -6.174 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.902 -3.671 -6.211 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.592 -4.254 -7.218 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.319 -3.578 -6.888 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.837 -2.517 -5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.249 -4.220 -5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.559 -6.084 -5.892 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.871 -5.797 -5.410 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.201 -5.205 -4.387 1.00 0.00 H new ATOM 55 N GLY A 5 -7.807 -0.215 -3.745 1.00 0.00 N ATOM 56 CA GLY A 5 -7.045 0.948 -3.306 1.00 0.00 C ATOM 57 C GLY A 5 -6.899 0.989 -1.786 1.00 0.00 C ATOM 58 O GLY A 5 -5.880 1.455 -1.276 1.00 0.00 O ATOM 0 H GLY A 5 -8.713 0.016 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.057 0.930 -3.766 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.539 1.857 -3.648 1.00 0.00 H new ATOM 62 N ALA A 6 -7.905 0.486 -1.058 1.00 0.00 N ATOM 63 CA ALA A 6 -7.838 0.358 0.387 1.00 0.00 C ATOM 64 C ALA A 6 -6.811 -0.708 0.778 1.00 0.00 C ATOM 65 O ALA A 6 -6.114 -0.539 1.772 1.00 0.00 O ATOM 66 CB ALA A 6 -9.233 0.046 0.931 1.00 0.00 C ATOM 0 H ALA A 6 -8.783 0.160 -1.462 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.506 1.297 0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.187 -0.051 2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.915 0.854 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.592 -0.888 0.498 1.00 0.00 H new ATOM 72 N LEU A 7 -6.661 -1.776 -0.016 1.00 0.00 N ATOM 73 CA LEU A 7 -5.586 -2.747 0.168 1.00 0.00 C ATOM 74 C LEU A 7 -4.247 -2.101 -0.152 1.00 0.00 C ATOM 75 O LEU A 7 -3.260 -2.335 0.528 1.00 0.00 O ATOM 76 CB LEU A 7 -5.754 -4.000 -0.718 1.00 0.00 C ATOM 77 CG LEU A 7 -7.195 -4.494 -0.885 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.235 -5.693 -1.840 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.841 -4.884 0.452 1.00 0.00 C ATOM 0 H LEU A 7 -7.280 -1.987 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.627 -3.065 1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.344 -3.785 -1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.157 -4.808 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.768 -3.665 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.264 -6.036 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.844 -5.396 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.625 -6.501 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.861 -5.227 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.264 -5.684 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.858 -4.018 1.114 1.00 0.00 H new ATOM 91 N PHE A 8 -4.212 -1.291 -1.198 1.00 0.00 N ATOM 92 CA PHE A 8 -2.977 -0.790 -1.788 1.00 0.00 C ATOM 93 C PHE A 8 -2.241 0.146 -0.842 1.00 0.00 C ATOM 94 O PHE A 8 -1.053 -0.019 -0.579 1.00 0.00 O ATOM 95 CB PHE A 8 -3.356 -0.003 -3.030 1.00 0.00 C ATOM 96 CG PHE A 8 -2.194 0.294 -3.956 1.00 0.00 C ATOM 97 CD1 PHE A 8 -1.805 -0.656 -4.920 1.00 0.00 C ATOM 98 CD2 PHE A 8 -1.488 1.507 -3.846 1.00 0.00 C ATOM 99 CE1 PHE A 8 -0.720 -0.392 -5.773 1.00 0.00 C ATOM 100 CE2 PHE A 8 -0.402 1.770 -4.699 1.00 0.00 C ATOM 101 CZ PHE A 8 -0.018 0.821 -5.662 1.00 0.00 C ATOM 0 H PHE A 8 -5.053 -0.957 -1.669 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.323 -1.633 -2.011 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.113 -0.560 -3.582 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.812 0.939 -2.725 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.342 -1.589 -5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.781 2.236 -3.105 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.425 -1.121 -6.514 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.138 2.702 -4.614 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.817 1.024 -6.317 1.00 0.00 H new ATOM 111 N LEU A 9 -2.980 1.115 -0.299 1.00 0.00 N ATOM 112 CA LEU A 9 -2.416 2.017 0.697 1.00 0.00 C ATOM 113 C LEU A 9 -2.413 1.337 2.063 1.00 0.00 C ATOM 114 O LEU A 9 -1.660 1.740 2.945 1.00 0.00 O ATOM 115 CB LEU A 9 -3.176 3.359 0.702 1.00 0.00 C ATOM 116 CG LEU A 9 -4.588 3.337 1.337 1.00 0.00 C ATOM 117 CD1 LEU A 9 -4.569 3.718 2.827 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.512 4.327 0.617 1.00 0.00 C ATOM 0 H LEU A 9 -3.958 1.291 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.381 2.246 0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.572 4.094 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.268 3.706 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.951 2.314 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.584 3.687 3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.944 3.013 3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.166 4.724 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.501 4.300 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.101 5.333 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.591 4.052 -0.435 1.00 0.00 H new ATOM 130 N GLY A 10 -3.283 0.336 2.233 1.00 0.00 N ATOM 131 CA GLY A 10 -3.602 -0.200 3.555 1.00 0.00 C ATOM 132 C GLY A 10 -2.892 -1.512 3.838 1.00 0.00 C ATOM 133 O GLY A 10 -1.885 -1.548 4.534 1.00 0.00 O ATOM 0 H GLY A 10 -3.779 -0.119 1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.326 0.530 4.316 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.679 -0.349 3.633 1.00 0.00 H new ATOM 137 N PHE A 11 -3.446 -2.596 3.302 1.00 0.00 N ATOM 138 CA PHE A 11 -2.976 -3.967 3.471 1.00 0.00 C ATOM 139 C PHE A 11 -1.516 -4.128 3.012 1.00 0.00 C ATOM 140 O PHE A 11 -0.682 -4.652 3.748 1.00 0.00 O ATOM 141 CB PHE A 11 -3.925 -4.877 2.671 1.00 0.00 C ATOM 142 CG PHE A 11 -3.649 -6.357 2.838 1.00 0.00 C ATOM 143 CD1 PHE A 11 -4.173 -7.052 3.945 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.860 -7.040 1.892 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.912 -8.424 4.103 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.600 -8.412 2.052 1.00 0.00 C ATOM 147 CZ PHE A 11 -3.128 -9.105 3.155 1.00 0.00 C ATOM 0 H PHE A 11 -4.274 -2.539 2.710 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.987 -4.242 4.526 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.951 -4.673 2.977 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.851 -4.621 1.614 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.776 -6.530 4.673 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.455 -6.509 1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.314 -8.955 4.953 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.994 -8.934 1.327 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.932 -10.160 3.274 1.00 0.00 H new ATOM 157 N LEU A 12 -1.204 -3.632 1.812 1.00 0.00 N ATOM 158 CA LEU A 12 0.131 -3.566 1.233 1.00 0.00 C ATOM 159 C LEU A 12 0.989 -2.572 2.020 1.00 0.00 C ATOM 160 O LEU A 12 2.111 -2.907 2.390 1.00 0.00 O ATOM 161 CB LEU A 12 0.001 -3.201 -0.260 1.00 0.00 C ATOM 162 CG LEU A 12 1.267 -2.627 -0.926 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.413 -3.646 -0.944 1.00 0.00 C ATOM 164 CD2 LEU A 12 0.958 -2.203 -2.369 1.00 0.00 C ATOM 0 H LEU A 12 -1.915 -3.247 1.190 1.00 0.00 H new ATOM 0 HA LEU A 12 0.636 -4.530 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.301 -4.094 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.804 -2.474 -0.368 1.00 0.00 H new ATOM 0 HG LEU A 12 1.579 -1.765 -0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.287 -3.203 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.663 -3.930 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.105 -4.531 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.859 -1.799 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.616 -3.068 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.179 -1.441 -2.365 1.00 0.00 H new ATOM 176 N GLY A 13 0.465 -1.380 2.325 1.00 0.00 N ATOM 177 CA GLY A 13 1.257 -0.340 2.977 1.00 0.00 C ATOM 178 C GLY A 13 1.624 -0.702 4.421 1.00 0.00 C ATOM 179 O GLY A 13 2.694 -0.313 4.885 1.00 0.00 O ATOM 0 H GLY A 13 -0.501 -1.115 2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.169 -0.170 2.405 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.698 0.596 2.971 1.00 0.00 H new ATOM 183 N ALA A 14 0.816 -1.518 5.109 1.00 0.00 N ATOM 184 CA ALA A 14 1.166 -2.101 6.400 1.00 0.00 C ATOM 185 C ALA A 14 2.391 -3.019 6.289 1.00 0.00 C ATOM 186 O ALA A 14 3.207 -3.054 7.207 1.00 0.00 O ATOM 187 CB ALA A 14 -0.034 -2.869 6.963 1.00 0.00 C ATOM 0 H ALA A 14 -0.109 -1.792 4.777 1.00 0.00 H new ATOM 0 HA ALA A 14 1.426 -1.291 7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.231 -3.303 7.927 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.875 -2.187 7.091 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.314 -3.664 6.272 1.00 0.00 H new ATOM 193 N ALA A 15 2.557 -3.726 5.163 1.00 0.00 N ATOM 194 CA ALA A 15 3.773 -4.466 4.829 1.00 0.00 C ATOM 195 C ALA A 15 4.896 -3.594 4.275 1.00 0.00 C ATOM 196 O ALA A 15 5.838 -4.126 3.683 1.00 0.00 O ATOM 197 CB ALA A 15 3.490 -5.607 3.858 1.00 0.00 C ATOM 0 H ALA A 15 1.834 -3.798 4.448 1.00 0.00 H new ATOM 0 HA ALA A 15 4.120 -4.872 5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.418 -6.133 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.780 -6.300 4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.070 -5.205 2.936 1.00 0.00 H new ATOM 203 N GLY A 16 4.811 -2.274 4.438 1.00 0.00 N ATOM 204 CA GLY A 16 5.741 -1.299 3.887 1.00 0.00 C ATOM 205 C GLY A 16 7.056 -1.292 4.664 1.00 0.00 C ATOM 206 O GLY A 16 7.523 -0.244 5.105 1.00 0.00 O ATOM 0 H GLY A 16 4.062 -1.842 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.935 -1.529 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.292 -0.306 3.917 1.00 0.00 H new ATOM 210 N SER A 17 7.661 -2.475 4.809 1.00 0.00 N ATOM 211 CA SER A 17 9.020 -2.628 5.308 1.00 0.00 C ATOM 212 C SER A 17 9.998 -1.963 4.331 1.00 0.00 C ATOM 213 O SER A 17 9.711 -1.820 3.141 1.00 0.00 O ATOM 214 CB SER A 17 9.324 -4.124 5.460 1.00 0.00 C ATOM 215 OG SER A 17 10.634 -4.333 5.954 1.00 0.00 O ATOM 0 H SER A 17 7.210 -3.361 4.579 1.00 0.00 H new ATOM 0 HA SER A 17 9.128 -2.146 6.280 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.601 -4.578 6.137 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.213 -4.620 4.496 1.00 0.00 H new ATOM 0 HG SER A 17 10.801 -5.295 6.043 1.00 0.00 H new ATOM 221 N THR A 18 11.202 -1.632 4.810 1.00 0.00 N ATOM 222 CA THR A 18 12.242 -1.019 3.981 1.00 0.00 C ATOM 223 C THR A 18 12.758 -2.016 2.929 1.00 0.00 C ATOM 224 O THR A 18 13.231 -1.600 1.876 1.00 0.00 O ATOM 225 CB THR A 18 13.364 -0.502 4.897 1.00 0.00 C ATOM 226 OG1 THR A 18 12.794 0.334 5.885 1.00 0.00 O ATOM 227 CG2 THR A 18 14.430 0.319 4.164 1.00 0.00 C ATOM 0 H THR A 18 11.481 -1.781 5.780 1.00 0.00 H new ATOM 0 HA THR A 18 11.832 -0.174 3.428 1.00 0.00 H new ATOM 0 HB THR A 18 13.851 -1.383 5.315 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.500 0.669 6.477 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.188 0.649 4.875 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.897 -0.296 3.395 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.964 1.189 3.700 1.00 0.00 H new ATOM 235 N VAL A 19 12.588 -3.327 3.154 1.00 0.00 N ATOM 236 CA VAL A 19 12.658 -4.367 2.122 1.00 0.00 C ATOM 237 C VAL A 19 11.907 -3.965 0.832 1.00 0.00 C ATOM 238 O VAL A 19 12.338 -4.326 -0.260 1.00 0.00 O ATOM 239 CB VAL A 19 12.186 -5.718 2.710 1.00 0.00 C ATOM 240 CG1 VAL A 19 12.271 -6.868 1.693 1.00 0.00 C ATOM 241 CG2 VAL A 19 13.028 -6.121 3.937 1.00 0.00 C ATOM 0 H VAL A 19 12.393 -3.701 4.083 1.00 0.00 H new ATOM 0 HA VAL A 19 13.697 -4.486 1.813 1.00 0.00 H new ATOM 0 HB VAL A 19 11.145 -5.562 2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.928 -7.792 2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 19 11.642 -6.640 0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.304 -6.989 1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.671 -7.074 4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.074 -6.217 3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.936 -5.357 4.709 1.00 0.00 H new ATOM 251 N GLY A 20 10.802 -3.216 0.948 1.00 0.00 N ATOM 252 CA GLY A 20 9.964 -2.769 -0.155 1.00 0.00 C ATOM 253 C GLY A 20 10.295 -1.366 -0.671 1.00 0.00 C ATOM 254 O GLY A 20 9.501 -0.835 -1.447 1.00 0.00 O ATOM 0 H GLY A 20 10.460 -2.896 1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.059 -3.478 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.922 -2.789 0.165 1.00 0.00 H new ATOM 258 N ALA A 21 11.418 -0.752 -0.265 1.00 0.00 N ATOM 259 CA ALA A 21 11.828 0.609 -0.635 1.00 0.00 C ATOM 260 C ALA A 21 12.258 0.739 -2.113 1.00 0.00 C ATOM 261 O ALA A 21 13.297 1.321 -2.425 1.00 0.00 O ATOM 262 CB ALA A 21 12.942 1.069 0.318 1.00 0.00 C ATOM 0 H ALA A 21 12.089 -1.208 0.353 1.00 0.00 H new ATOM 0 HA ALA A 21 10.960 1.260 -0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.254 2.079 0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.570 1.062 1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.793 0.393 0.236 1.00 0.00 H new ATOM 268 N ALA A 22 11.473 0.194 -3.049 1.00 0.00 N ATOM 269 CA ALA A 22 11.749 0.233 -4.483 1.00 0.00 C ATOM 270 C ALA A 22 11.715 1.664 -5.039 1.00 0.00 C ATOM 271 O ALA A 22 12.420 1.967 -5.998 1.00 0.00 O ATOM 272 CB ALA A 22 10.732 -0.655 -5.210 1.00 0.00 C ATOM 0 H ALA A 22 10.609 -0.297 -2.821 1.00 0.00 H new ATOM 0 HA ALA A 22 12.758 -0.143 -4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.930 -0.632 -6.282 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.818 -1.679 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.724 -0.286 -5.019 1.00 0.00 H new ATOM 278 N SER A 23 10.903 2.541 -4.436 1.00 0.00 N ATOM 279 CA SER A 23 10.872 3.974 -4.707 1.00 0.00 C ATOM 280 C SER A 23 12.012 4.741 -4.016 1.00 0.00 C ATOM 281 O SER A 23 12.107 5.955 -4.219 1.00 0.00 O ATOM 282 CB SER A 23 9.520 4.549 -4.260 1.00 0.00 C ATOM 283 OG SER A 23 9.422 5.897 -4.672 1.00 0.00 O ATOM 0 H SER A 23 10.230 2.258 -3.724 1.00 0.00 H new ATOM 0 HA SER A 23 11.009 4.101 -5.781 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.705 3.966 -4.689 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.424 4.481 -3.176 1.00 0.00 H new ATOM 0 HG SER A 23 10.316 6.297 -4.699 1.00 0.00 H new ATOM 289 N GLY A 24 12.760 4.093 -3.117 1.00 0.00 N ATOM 290 CA GLY A 24 13.187 4.707 -1.871 1.00 0.00 C ATOM 291 C GLY A 24 12.057 4.542 -0.855 1.00 0.00 C ATOM 292 O GLY A 24 12.104 5.266 0.159 1.00 0.00 O ATOM 0 H GLY A 24 13.081 3.133 -3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.100 4.236 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.412 5.763 -2.023 1.00 0.00 H new TER 296 GLY A 24