USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 136 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 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 30:sc= -0.283 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 17.407 7.727 4.744 1.00 0.00 N ATOM 2 CA ARG A 1 18.364 7.315 3.678 1.00 0.00 C ATOM 3 C ARG A 1 18.746 5.853 3.881 1.00 0.00 C ATOM 4 O ARG A 1 19.185 5.460 4.961 1.00 0.00 O ATOM 5 CB ARG A 1 19.613 8.199 3.747 1.00 0.00 C ATOM 6 CG ARG A 1 20.670 7.673 2.774 1.00 0.00 C ATOM 7 CD ARG A 1 21.726 8.753 2.529 1.00 0.00 C ATOM 8 NE ARG A 1 21.926 9.547 3.736 1.00 0.00 N ATOM 9 CZ ARG A 1 22.588 9.059 4.780 1.00 0.00 C ATOM 10 NH1 ARG A 1 23.076 7.849 4.735 1.00 0.00 N ATOM 11 NH2 ARG A 1 22.752 9.789 5.849 1.00 0.00 N ATOM 0 H1 ARG A 1 17.144 8.724 4.608 1.00 0.00 H new ATOM 0 H2 ARG A 1 16.554 7.134 4.693 1.00 0.00 H new ATOM 0 H3 ARG A 1 17.854 7.610 5.676 1.00 0.00 H new ATOM 0 HA ARG A 1 17.899 7.431 2.699 1.00 0.00 H new ATOM 0 HB2 ARG A 1 19.356 9.229 3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 1 20.010 8.206 4.762 1.00 0.00 H new ATOM 0 HG2 ARG A 1 21.139 6.777 3.181 1.00 0.00 H new ATOM 0 HG3 ARG A 1 20.202 7.388 1.832 1.00 0.00 H new ATOM 0 HD2 ARG A 1 22.667 8.291 2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 1 21.413 9.398 1.708 1.00 0.00 H new ATOM 0 HE ARG A 1 21.551 10.494 3.780 1.00 0.00 H new ATOM 0 HH11 ARG A 1 22.949 7.279 3.899 1.00 0.00 H new ATOM 0 HH12 ARG A 1 23.584 7.474 5.536 1.00 0.00 H new ATOM 0 HH21 ARG A 1 22.372 10.735 5.884 1.00 0.00 H new ATOM 0 HH22 ARG A 1 23.260 9.414 6.650 1.00 0.00 H new ATOM 27 N GLY A 2 18.577 5.051 2.833 1.00 0.00 N ATOM 28 CA GLY A 2 18.908 3.634 2.907 1.00 0.00 C ATOM 29 C GLY A 2 17.789 2.849 3.583 1.00 0.00 C ATOM 30 O GLY A 2 16.612 3.187 3.452 1.00 0.00 O ATOM 0 H GLY A 2 18.215 5.357 1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 2 19.077 3.243 1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 2 19.837 3.502 3.462 1.00 0.00 H new ATOM 34 N GLY A 3 18.163 1.798 4.307 1.00 0.00 N ATOM 35 CA GLY A 3 17.184 0.970 5.003 1.00 0.00 C ATOM 36 C GLY A 3 16.696 -0.164 4.107 1.00 0.00 C ATOM 37 O GLY A 3 16.995 -0.199 2.913 1.00 0.00 O ATOM 0 H GLY A 3 19.131 1.501 4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 3 17.629 0.558 5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 3 16.338 1.583 5.314 1.00 0.00 H new ATOM 41 N ARG A 4 15.945 -1.092 4.692 1.00 0.00 N ATOM 42 CA ARG A 4 15.420 -2.226 3.939 1.00 0.00 C ATOM 43 C ARG A 4 14.166 -1.828 3.170 1.00 0.00 C ATOM 44 O ARG A 4 13.740 -0.672 3.208 1.00 0.00 O ATOM 45 CB ARG A 4 15.091 -3.378 4.890 1.00 0.00 C ATOM 46 CG ARG A 4 14.263 -2.852 6.065 1.00 0.00 C ATOM 47 CD ARG A 4 13.651 -4.027 6.830 1.00 0.00 C ATOM 48 NE ARG A 4 14.701 -4.819 7.467 1.00 0.00 N ATOM 49 CZ ARG A 4 15.247 -5.867 6.855 1.00 0.00 C ATOM 50 NH1 ARG A 4 14.850 -6.210 5.660 1.00 0.00 N ATOM 51 NH2 ARG A 4 16.183 -6.555 7.453 1.00 0.00 N ATOM 0 H ARG A 4 15.687 -1.082 5.679 1.00 0.00 H new ATOM 0 HA ARG A 4 16.181 -2.546 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 4 14.538 -4.154 4.360 1.00 0.00 H new ATOM 0 HB3 ARG A 4 16.010 -3.835 5.256 1.00 0.00 H new ATOM 0 HG2 ARG A 4 14.892 -2.260 6.730 1.00 0.00 H new ATOM 0 HG3 ARG A 4 13.475 -2.192 5.701 1.00 0.00 H new ATOM 0 HD2 ARG A 4 12.957 -3.657 7.584 1.00 0.00 H new ATOM 0 HD3 ARG A 4 13.076 -4.654 6.148 1.00 0.00 H new ATOM 0 HE ARG A 4 15.022 -4.563 8.401 1.00 0.00 H new ATOM 0 HH11 ARG A 4 14.119 -5.674 5.192 1.00 0.00 H new ATOM 0 HH12 ARG A 4 15.271 -7.014 5.194 1.00 0.00 H new ATOM 0 HH21 ARG A 4 16.494 -6.289 8.387 1.00 0.00 H new ATOM 0 HH22 ARG A 4 16.603 -7.359 6.986 1.00 0.00 H new ATOM 65 N LEU A 5 13.576 -2.795 2.475 1.00 0.00 N ATOM 66 CA LEU A 5 12.365 -2.545 1.700 1.00 0.00 C ATOM 67 C LEU A 5 11.597 -3.846 1.514 1.00 0.00 C ATOM 68 O LEU A 5 11.929 -4.654 0.643 1.00 0.00 O ATOM 69 CB LEU A 5 12.733 -1.954 0.332 1.00 0.00 C ATOM 70 CG LEU A 5 11.506 -1.953 -0.588 1.00 0.00 C ATOM 71 CD1 LEU A 5 10.318 -1.308 0.133 1.00 0.00 C ATOM 72 CD2 LEU A 5 11.826 -1.158 -1.854 1.00 0.00 C ATOM 0 H LEU A 5 13.915 -3.756 2.432 1.00 0.00 H new ATOM 0 HA LEU A 5 11.737 -1.833 2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 5 13.106 -0.937 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 5 13.536 -2.536 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 5 11.251 -2.979 -0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 5 9.449 -1.310 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 5 10.090 -1.873 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 5 10.569 -0.281 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.956 -1.155 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 5 12.082 -0.133 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 5 12.669 -1.619 -2.370 1.00 0.00 H new ATOM 84 N CYS A 6 10.577 -4.052 2.341 1.00 0.00 N ATOM 85 CA CYS A 6 9.778 -5.271 2.260 1.00 0.00 C ATOM 86 C CYS A 6 8.375 -4.985 1.745 1.00 0.00 C ATOM 87 O CYS A 6 7.665 -4.130 2.278 1.00 0.00 O ATOM 88 CB CYS A 6 9.686 -5.934 3.637 1.00 0.00 C ATOM 89 SG CYS A 6 11.317 -5.936 4.426 1.00 0.00 S ATOM 0 H CYS A 6 10.286 -3.399 3.068 1.00 0.00 H new ATOM 0 HA CYS A 6 10.273 -5.943 1.558 1.00 0.00 H new ATOM 0 HB2 CYS A 6 8.970 -5.399 4.261 1.00 0.00 H new ATOM 0 HB3 CYS A 6 9.320 -6.956 3.535 1.00 0.00 H new ATOM 94 N TYR A 7 7.977 -5.719 0.710 1.00 0.00 N ATOM 95 CA TYR A 7 6.653 -5.557 0.128 1.00 0.00 C ATOM 96 C TYR A 7 5.643 -6.422 0.877 1.00 0.00 C ATOM 97 O TYR A 7 5.969 -7.526 1.320 1.00 0.00 O ATOM 98 CB TYR A 7 6.679 -5.957 -1.343 1.00 0.00 C ATOM 99 CG TYR A 7 7.427 -4.908 -2.116 1.00 0.00 C ATOM 100 CD1 TYR A 7 6.748 -3.790 -2.609 1.00 0.00 C ATOM 101 CD2 TYR A 7 8.802 -5.046 -2.328 1.00 0.00 C ATOM 102 CE1 TYR A 7 7.443 -2.809 -3.319 1.00 0.00 C ATOM 103 CE2 TYR A 7 9.499 -4.064 -3.036 1.00 0.00 C ATOM 104 CZ TYR A 7 8.821 -2.942 -3.533 1.00 0.00 C ATOM 105 OH TYR A 7 9.509 -1.972 -4.233 1.00 0.00 O ATOM 0 H TYR A 7 8.553 -6.430 0.259 1.00 0.00 H new ATOM 0 HA TYR A 7 6.358 -4.511 0.210 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.160 -6.928 -1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.663 -6.055 -1.726 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.686 -3.685 -2.441 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.324 -5.910 -1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 7 6.918 -1.947 -3.703 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.561 -4.169 -3.201 1.00 0.00 H new ATOM 0 HH TYR A 7 9.076 -1.103 -4.099 1.00 0.00 H new ATOM 115 N CYS A 8 4.422 -5.912 1.020 1.00 0.00 N ATOM 116 CA CYS A 8 3.372 -6.647 1.723 1.00 0.00 C ATOM 117 C CYS A 8 2.046 -6.536 0.975 1.00 0.00 C ATOM 118 O CYS A 8 1.660 -5.456 0.529 1.00 0.00 O ATOM 119 CB CYS A 8 3.220 -6.095 3.148 1.00 0.00 C ATOM 120 SG CYS A 8 3.386 -7.441 4.347 1.00 0.00 S ATOM 0 H CYS A 8 4.136 -5.001 0.662 1.00 0.00 H new ATOM 0 HA CYS A 8 3.653 -7.699 1.771 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.977 -5.333 3.335 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.248 -5.614 3.260 1.00 0.00 H new ATOM 125 N ARG A 9 1.355 -7.665 0.846 1.00 0.00 N ATOM 126 CA ARG A 9 0.071 -7.693 0.152 1.00 0.00 C ATOM 127 C ARG A 9 -0.803 -8.820 0.692 1.00 0.00 C ATOM 128 O ARG A 9 -0.334 -9.940 0.894 1.00 0.00 O ATOM 129 CB ARG A 9 0.296 -7.892 -1.349 1.00 0.00 C ATOM 130 CG ARG A 9 -1.008 -7.629 -2.112 1.00 0.00 C ATOM 131 CD ARG A 9 -1.217 -6.122 -2.298 1.00 0.00 C ATOM 132 NE ARG A 9 -0.023 -5.506 -2.867 1.00 0.00 N ATOM 133 CZ ARG A 9 -0.049 -4.264 -3.337 1.00 0.00 C ATOM 134 NH1 ARG A 9 -1.154 -3.572 -3.296 1.00 0.00 N ATOM 135 NH2 ARG A 9 1.035 -3.734 -3.838 1.00 0.00 N ATOM 0 H ARG A 9 1.660 -8.568 1.210 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.436 -6.743 0.321 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.076 -7.217 -1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.642 -8.907 -1.542 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.975 -8.122 -3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.850 -8.056 -1.566 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.071 -5.945 -2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.449 -5.660 -1.338 1.00 0.00 H new ATOM 0 HE ARG A 9 0.846 -6.038 -2.904 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.000 -3.985 -2.903 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.172 -2.618 -3.657 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.900 -4.274 -3.868 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.016 -2.780 -4.199 1.00 0.00 H new ATOM 149 N ARG A 10 -2.077 -8.516 0.921 1.00 0.00 N ATOM 150 CA ARG A 10 -3.010 -9.513 1.434 1.00 0.00 C ATOM 151 C ARG A 10 -2.476 -10.135 2.723 1.00 0.00 C ATOM 152 O ARG A 10 -2.559 -9.534 3.794 1.00 0.00 O ATOM 153 CB ARG A 10 -3.228 -10.611 0.388 1.00 0.00 C ATOM 154 CG ARG A 10 -4.202 -10.115 -0.684 1.00 0.00 C ATOM 155 CD ARG A 10 -4.416 -11.216 -1.726 1.00 0.00 C ATOM 156 NE ARG A 10 -5.618 -10.945 -2.507 1.00 0.00 N ATOM 157 CZ ARG A 10 -6.829 -11.162 -2.004 1.00 0.00 C ATOM 158 NH1 ARG A 10 -6.957 -11.625 -0.792 1.00 0.00 N ATOM 159 NH2 ARG A 10 -7.888 -10.914 -2.723 1.00 0.00 N ATOM 0 H ARG A 10 -2.484 -7.595 0.761 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.958 -9.020 1.647 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.277 -10.885 -0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.623 -11.508 0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.153 -9.841 -0.228 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.808 -9.218 -1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.551 -11.275 -2.386 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.506 -12.183 -1.231 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.527 -10.582 -3.456 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.128 -11.820 -0.231 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.886 -11.792 -0.405 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.787 -10.553 -3.672 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.817 -11.081 -2.337 1.00 0.00 H new ATOM 173 N ARG A 11 -1.934 -11.346 2.611 1.00 0.00 N ATOM 174 CA ARG A 11 -1.392 -12.047 3.773 1.00 0.00 C ATOM 175 C ARG A 11 0.003 -12.587 3.469 1.00 0.00 C ATOM 176 O ARG A 11 0.368 -13.675 3.910 1.00 0.00 O ATOM 177 CB ARG A 11 -2.316 -13.206 4.157 1.00 0.00 C ATOM 178 CG ARG A 11 -2.475 -14.161 2.968 1.00 0.00 C ATOM 179 CD ARG A 11 -3.819 -14.886 3.067 1.00 0.00 C ATOM 180 NE ARG A 11 -4.911 -13.967 2.762 1.00 0.00 N ATOM 181 CZ ARG A 11 -6.097 -14.417 2.366 1.00 0.00 C ATOM 182 NH1 ARG A 11 -6.302 -15.700 2.252 1.00 0.00 N ATOM 183 NH2 ARG A 11 -7.057 -13.574 2.092 1.00 0.00 N ATOM 0 H ARG A 11 -1.859 -11.860 1.733 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.325 -11.343 4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.906 -13.742 5.013 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.290 -12.821 4.459 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.419 -13.605 2.032 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.660 -14.885 2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.838 -15.728 2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.947 -15.295 4.069 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.761 -12.962 2.854 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.552 -16.357 2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.212 -16.046 1.948 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.896 -12.571 2.182 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.967 -13.919 1.788 1.00 0.00 H new ATOM 197 N PHE A 12 0.778 -11.812 2.716 1.00 0.00 N ATOM 198 CA PHE A 12 2.135 -12.215 2.356 1.00 0.00 C ATOM 199 C PHE A 12 3.083 -11.023 2.460 1.00 0.00 C ATOM 200 O PHE A 12 2.671 -9.875 2.292 1.00 0.00 O ATOM 201 CB PHE A 12 2.150 -12.772 0.926 1.00 0.00 C ATOM 202 CG PHE A 12 2.469 -14.248 0.951 1.00 0.00 C ATOM 203 CD1 PHE A 12 1.440 -15.184 1.109 1.00 0.00 C ATOM 204 CD2 PHE A 12 3.794 -14.681 0.819 1.00 0.00 C ATOM 205 CE1 PHE A 12 1.737 -16.553 1.132 1.00 0.00 C ATOM 206 CE2 PHE A 12 4.090 -16.049 0.843 1.00 0.00 C ATOM 207 CZ PHE A 12 3.060 -16.985 0.999 1.00 0.00 C ATOM 0 H PHE A 12 0.492 -10.906 2.345 1.00 0.00 H new ATOM 0 HA PHE A 12 2.468 -12.990 3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.182 -12.609 0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.891 -12.241 0.328 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.418 -14.851 1.213 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.588 -13.959 0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.943 -17.275 1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.112 -16.382 0.741 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.288 -18.041 1.017 1.00 0.00 H new ATOM 217 N CYS A 13 4.352 -11.303 2.738 1.00 0.00 N ATOM 218 CA CYS A 13 5.348 -10.243 2.860 1.00 0.00 C ATOM 219 C CYS A 13 6.728 -10.755 2.463 1.00 0.00 C ATOM 220 O CYS A 13 7.097 -11.887 2.782 1.00 0.00 O ATOM 221 CB CYS A 13 5.376 -9.720 4.303 1.00 0.00 C ATOM 222 SG CYS A 13 5.351 -7.909 4.298 1.00 0.00 S ATOM 0 H CYS A 13 4.714 -12.246 2.882 1.00 0.00 H new ATOM 0 HA CYS A 13 5.076 -9.429 2.188 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.518 -10.103 4.855 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.270 -10.079 4.813 1.00 0.00 H new ATOM 227 N VAL A 14 7.489 -9.918 1.762 1.00 0.00 N ATOM 228 CA VAL A 14 8.830 -10.301 1.326 1.00 0.00 C ATOM 229 C VAL A 14 9.804 -9.138 1.487 1.00 0.00 C ATOM 230 O VAL A 14 9.528 -8.022 1.046 1.00 0.00 O ATOM 231 CB VAL A 14 8.799 -10.738 -0.140 1.00 0.00 C ATOM 232 CG1 VAL A 14 10.154 -11.331 -0.523 1.00 0.00 C ATOM 233 CG2 VAL A 14 7.707 -11.792 -0.334 1.00 0.00 C ATOM 0 H VAL A 14 7.204 -8.978 1.486 1.00 0.00 H new ATOM 0 HA VAL A 14 9.166 -11.130 1.948 1.00 0.00 H new ATOM 0 HB VAL A 14 8.588 -9.876 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.133 -11.643 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.932 -10.580 -0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.365 -12.194 0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.684 -12.104 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.918 -12.655 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.740 -11.369 -0.060 1.00 0.00 H new ATOM 243 N CYS A 15 10.943 -9.407 2.125 1.00 0.00 N ATOM 244 CA CYS A 15 11.955 -8.375 2.342 1.00 0.00 C ATOM 245 C CYS A 15 13.008 -8.409 1.239 1.00 0.00 C ATOM 246 O CYS A 15 13.354 -9.474 0.728 1.00 0.00 O ATOM 247 CB CYS A 15 12.624 -8.576 3.703 1.00 0.00 C ATOM 248 SG CYS A 15 11.583 -7.857 5.000 1.00 0.00 S ATOM 0 H CYS A 15 11.187 -10.325 2.498 1.00 0.00 H new ATOM 0 HA CYS A 15 11.463 -7.403 2.322 1.00 0.00 H new ATOM 0 HB2 CYS A 15 12.777 -9.639 3.892 1.00 0.00 H new ATOM 0 HB3 CYS A 15 13.608 -8.107 3.709 1.00 0.00 H new ATOM 253 N VAL A 16 13.518 -7.232 0.878 1.00 0.00 N ATOM 254 CA VAL A 16 14.535 -7.138 -0.164 1.00 0.00 C ATOM 255 C VAL A 16 14.202 -8.068 -1.327 1.00 0.00 C ATOM 256 O VAL A 16 13.511 -7.630 -2.231 1.00 0.00 O ATOM 257 CB VAL A 16 15.905 -7.504 0.409 1.00 0.00 C ATOM 258 CG1 VAL A 16 16.994 -7.154 -0.608 1.00 0.00 C ATOM 259 CG2 VAL A 16 16.144 -6.718 1.700 1.00 0.00 C ATOM 260 OXT VAL A 16 14.644 -9.205 -1.295 1.00 0.00 O ATOM 0 H VAL A 16 13.246 -6.339 1.288 1.00 0.00 H new ATOM 0 HA VAL A 16 14.557 -6.112 -0.531 1.00 0.00 H new ATOM 0 HB VAL A 16 15.936 -8.573 0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.970 -7.415 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 16 16.825 -7.712 -1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 16 16.963 -6.085 -0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.120 -6.978 2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 16 16.113 -5.650 1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.369 -6.965 2.425 1.00 0.00 H new TER 270 VAL A 16