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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.478 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -150:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.624 1.926 -2.281 1.00 0.00 N ATOM 2 CA MET A 1 -13.480 2.832 -1.913 1.00 0.00 C ATOM 3 C MET A 1 -12.148 2.048 -1.707 1.00 0.00 C ATOM 4 O MET A 1 -12.168 0.967 -1.051 1.00 0.00 O ATOM 5 CB MET A 1 -13.838 3.769 -0.675 1.00 0.00 C ATOM 6 CG MET A 1 -14.375 3.128 0.647 1.00 0.00 C ATOM 7 SD MET A 1 -16.155 2.820 0.602 1.00 0.00 S ATOM 8 CE MET A 1 -16.779 4.255 1.478 1.00 0.00 C ATOM 0 H1 MET A 1 -15.024 2.225 -3.193 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.281 0.947 -2.357 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.359 1.979 -1.547 1.00 0.00 H new ATOM 0 HA MET A 1 -13.313 3.493 -2.763 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.941 4.334 -0.423 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.583 4.489 -1.015 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.853 2.189 0.828 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.146 3.787 1.484 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.867 4.205 1.530 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.368 4.272 2.487 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.483 5.161 0.950 1.00 0.00 H new ATOM 20 N GLN A 2 -11.023 2.642 -2.281 1.00 0.00 N ATOM 21 CA GLN A 2 -9.624 2.107 -2.229 1.00 0.00 C ATOM 22 C GLN A 2 -8.607 3.206 -1.816 1.00 0.00 C ATOM 23 O GLN A 2 -8.738 4.393 -2.261 1.00 0.00 O ATOM 24 CB GLN A 2 -9.217 1.484 -3.594 1.00 0.00 C ATOM 25 CG GLN A 2 -9.349 -0.042 -3.677 1.00 0.00 C ATOM 26 CD GLN A 2 -9.830 -0.534 -5.045 1.00 0.00 C ATOM 27 OE1 GLN A 2 -11.036 -0.653 -5.281 1.00 0.00 O ATOM 28 NE2 GLN A 2 -8.895 -0.840 -5.957 1.00 0.00 N ATOM 0 H GLN A 2 -11.084 3.520 -2.797 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.604 1.326 -1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.831 1.930 -4.377 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.183 1.756 -3.806 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.383 -0.496 -3.454 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.046 -0.382 -2.911 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.907 -0.730 -5.731 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -9.173 -1.182 -6.877 1.00 0.00 H new ATOM 37 N ILE A 3 -7.601 2.762 -0.965 1.00 0.00 N ATOM 38 CA ILE A 3 -6.481 3.594 -0.423 1.00 0.00 C ATOM 39 C ILE A 3 -5.150 2.797 -0.487 1.00 0.00 C ATOM 40 O ILE A 3 -5.088 1.642 0.032 1.00 0.00 O ATOM 41 CB ILE A 3 -6.736 4.228 1.044 1.00 0.00 C ATOM 42 CG1 ILE A 3 -7.323 3.238 2.219 1.00 0.00 C ATOM 43 CG2 ILE A 3 -7.489 5.582 0.931 1.00 0.00 C ATOM 44 CD1 ILE A 3 -8.752 2.574 2.126 1.00 0.00 C ATOM 0 H ILE A 3 -7.560 1.796 -0.640 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.418 4.468 -1.072 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.733 4.407 1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.606 2.424 2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.303 3.808 3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.651 5.992 1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.894 6.281 0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.451 5.424 0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.927 1.962 3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.512 3.353 2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.805 1.947 1.236 1.00 0.00 H new ATOM 56 N PHE A 4 -4.130 3.438 -1.181 1.00 0.00 N ATOM 57 CA PHE A 4 -2.759 2.888 -1.439 1.00 0.00 C ATOM 58 C PHE A 4 -1.705 3.376 -0.408 1.00 0.00 C ATOM 59 O PHE A 4 -1.783 4.552 0.061 1.00 0.00 O ATOM 60 CB PHE A 4 -2.330 3.275 -2.894 1.00 0.00 C ATOM 61 CG PHE A 4 -2.432 2.196 -3.985 1.00 0.00 C ATOM 62 CD1 PHE A 4 -3.758 1.899 -4.721 1.00 0.00 C ATOM 63 CD2 PHE A 4 -1.185 1.427 -4.415 1.00 0.00 C ATOM 64 CE1 PHE A 4 -3.819 0.867 -5.825 1.00 0.00 C ATOM 65 CE2 PHE A 4 -1.248 0.400 -5.530 1.00 0.00 C ATOM 66 CZ PHE A 4 -2.563 0.120 -6.233 1.00 0.00 C ATOM 0 H PHE A 4 -4.255 4.369 -1.579 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.804 1.804 -1.330 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.936 4.125 -3.207 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.296 3.617 -2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.653 2.436 -4.443 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.245 1.617 -3.918 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.756 0.662 -6.322 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.355 -0.133 -5.824 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.605 -0.613 -7.025 1.00 0.00 H new ATOM 76 N VAL A 5 -0.730 2.432 -0.086 1.00 0.00 N ATOM 77 CA VAL A 5 0.419 2.638 0.883 1.00 0.00 C ATOM 78 C VAL A 5 1.732 1.988 0.349 1.00 0.00 C ATOM 79 O VAL A 5 1.687 0.810 -0.117 1.00 0.00 O ATOM 80 CB VAL A 5 0.133 2.192 2.409 1.00 0.00 C ATOM 81 CG1 VAL A 5 -0.669 3.266 3.135 1.00 0.00 C ATOM 82 CG2 VAL A 5 -0.567 0.809 2.614 1.00 0.00 C ATOM 0 H VAL A 5 -0.727 1.500 -0.500 1.00 0.00 H new ATOM 0 HA VAL A 5 0.540 3.720 0.931 1.00 0.00 H new ATOM 0 HB VAL A 5 1.131 2.072 2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.854 2.950 4.162 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.107 4.200 3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.621 3.416 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.703 0.625 3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.539 0.816 2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.052 0.021 2.186 1.00 0.00 H new ATOM 92 N LYS A 6 2.864 2.795 0.432 1.00 0.00 N ATOM 93 CA LYS A 6 4.241 2.412 -0.020 1.00 0.00 C ATOM 94 C LYS A 6 5.300 2.566 1.112 1.00 0.00 C ATOM 95 O LYS A 6 5.206 3.525 1.938 1.00 0.00 O ATOM 96 CB LYS A 6 4.634 3.249 -1.264 1.00 0.00 C ATOM 97 CG LYS A 6 5.259 2.438 -2.407 1.00 0.00 C ATOM 98 CD LYS A 6 5.173 3.167 -3.747 1.00 0.00 C ATOM 99 CE LYS A 6 6.139 2.586 -4.770 1.00 0.00 C ATOM 100 NZ LYS A 6 5.857 3.081 -6.146 1.00 0.00 N ATOM 0 H LYS A 6 2.828 3.737 0.821 1.00 0.00 H new ATOM 0 HA LYS A 6 4.224 1.355 -0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.746 3.757 -1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.338 4.023 -0.958 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.304 2.231 -2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.753 1.476 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.155 3.103 -4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.392 4.225 -3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.161 2.846 -4.493 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.072 1.498 -4.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.537 2.662 -6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.891 2.811 -6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.946 4.117 -6.167 1.00 0.00 H new ATOM 114 N THR A 7 6.295 1.587 1.106 1.00 0.00 N ATOM 115 CA THR A 7 7.447 1.486 2.081 1.00 0.00 C ATOM 116 C THR A 7 8.801 1.882 1.418 1.00 0.00 C ATOM 117 O THR A 7 9.005 1.606 0.199 1.00 0.00 O ATOM 118 CB THR A 7 7.589 0.055 2.722 1.00 0.00 C ATOM 119 OG1 THR A 7 7.440 -0.972 1.734 1.00 0.00 O ATOM 120 CG2 THR A 7 6.587 -0.176 3.858 1.00 0.00 C ATOM 0 H THR A 7 6.309 0.841 0.410 1.00 0.00 H new ATOM 0 HA THR A 7 7.210 2.192 2.877 1.00 0.00 H new ATOM 0 HB THR A 7 8.593 0.006 3.143 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.062 -1.774 2.151 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.725 -1.177 4.267 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.750 0.563 4.643 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.572 -0.078 3.473 1.00 0.00 H new ATOM 128 N LEU A 8 9.713 2.532 2.265 1.00 0.00 N ATOM 129 CA LEU A 8 11.100 3.028 1.889 1.00 0.00 C ATOM 130 C LEU A 8 12.131 1.885 1.551 1.00 0.00 C ATOM 131 O LEU A 8 13.140 2.173 0.838 1.00 0.00 O ATOM 132 CB LEU A 8 11.670 3.969 3.069 1.00 0.00 C ATOM 133 CG LEU A 8 11.329 5.548 3.201 1.00 0.00 C ATOM 134 CD1 LEU A 8 11.839 6.439 2.040 1.00 0.00 C ATOM 135 CD2 LEU A 8 9.839 5.865 3.504 1.00 0.00 C ATOM 0 H LEU A 8 9.489 2.723 3.242 1.00 0.00 H new ATOM 0 HA LEU A 8 10.985 3.594 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.357 3.509 4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.756 3.893 3.024 1.00 0.00 H new ATOM 0 HG LEU A 8 11.911 5.819 4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.558 7.476 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.924 6.363 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.394 6.106 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.704 6.944 3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.213 5.473 2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.553 5.400 4.448 1.00 0.00 H new ATOM 147 N ASP A 9 11.838 0.606 2.057 1.00 0.00 N ATOM 148 CA ASP A 9 12.674 -0.644 1.857 1.00 0.00 C ATOM 149 C ASP A 9 12.593 -1.218 0.408 1.00 0.00 C ATOM 150 O ASP A 9 13.653 -1.681 -0.097 1.00 0.00 O ATOM 151 CB ASP A 9 12.283 -1.731 2.891 1.00 0.00 C ATOM 152 CG ASP A 9 13.483 -2.326 3.620 1.00 0.00 C ATOM 153 OD1 ASP A 9 13.860 -1.792 4.687 1.00 0.00 O ATOM 154 OD2 ASP A 9 14.038 -3.338 3.131 1.00 0.00 O ATOM 0 H ASP A 9 11.004 0.429 2.618 1.00 0.00 H new ATOM 0 HA ASP A 9 13.711 -0.347 2.014 1.00 0.00 H new ATOM 0 HB2 ASP A 9 11.600 -1.299 3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.743 -2.529 2.382 1.00 0.00 H new ATOM 159 N GLY A 10 11.340 -1.155 -0.220 1.00 0.00 N ATOM 160 CA GLY A 10 11.056 -1.631 -1.604 1.00 0.00 C ATOM 161 C GLY A 10 9.958 -2.692 -1.680 1.00 0.00 C ATOM 162 O GLY A 10 10.211 -3.760 -2.295 1.00 0.00 O ATOM 0 H GLY A 10 10.517 -0.768 0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.767 -0.779 -2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.972 -2.038 -2.033 1.00 0.00 H new ATOM 166 N LYS A 11 8.750 -2.364 -1.056 1.00 0.00 N ATOM 167 CA LYS A 11 7.517 -3.230 -1.003 1.00 0.00 C ATOM 168 C LYS A 11 6.228 -2.403 -1.281 1.00 0.00 C ATOM 169 O LYS A 11 6.138 -1.214 -0.836 1.00 0.00 O ATOM 170 CB LYS A 11 7.404 -3.953 0.372 1.00 0.00 C ATOM 171 CG LYS A 11 7.801 -5.452 0.361 1.00 0.00 C ATOM 172 CD LYS A 11 9.020 -5.786 1.266 1.00 0.00 C ATOM 173 CE LYS A 11 8.676 -6.729 2.429 1.00 0.00 C ATOM 174 NZ LYS A 11 8.800 -8.162 2.042 1.00 0.00 N ATOM 0 H LYS A 11 8.620 -1.475 -0.574 1.00 0.00 H new ATOM 0 HA LYS A 11 7.614 -3.981 -1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.034 -3.431 1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.377 -3.868 0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.947 -6.047 0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.028 -5.750 -0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.801 -6.242 0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.429 -4.859 1.668 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.337 -6.522 3.271 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.659 -6.532 2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.559 -8.763 2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.151 -8.367 1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.777 -8.358 1.744 1.00 0.00 H new ATOM 188 N THR A 12 5.249 -3.071 -2.017 1.00 0.00 N ATOM 189 CA THR A 12 3.916 -2.493 -2.408 1.00 0.00 C ATOM 190 C THR A 12 2.766 -3.471 -2.045 1.00 0.00 C ATOM 191 O THR A 12 2.830 -4.689 -2.408 1.00 0.00 O ATOM 192 CB THR A 12 3.824 -2.067 -3.925 1.00 0.00 C ATOM 193 OG1 THR A 12 4.405 -3.064 -4.781 1.00 0.00 O ATOM 194 CG2 THR A 12 4.496 -0.715 -4.184 1.00 0.00 C ATOM 0 H THR A 12 5.377 -4.027 -2.349 1.00 0.00 H new ATOM 0 HA THR A 12 3.809 -1.574 -1.831 1.00 0.00 H new ATOM 0 HB THR A 12 2.763 -1.971 -4.156 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.333 -2.776 -5.715 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.409 -0.462 -5.241 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.009 0.054 -3.585 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.550 -0.774 -3.911 1.00 0.00 H new ATOM 202 N ILE A 13 1.737 -2.897 -1.292 1.00 0.00 N ATOM 203 CA ILE A 13 0.490 -3.603 -0.777 1.00 0.00 C ATOM 204 C ILE A 13 -0.699 -2.607 -0.628 1.00 0.00 C ATOM 205 O ILE A 13 -0.489 -1.475 -0.098 1.00 0.00 O ATOM 206 CB ILE A 13 0.673 -4.459 0.584 1.00 0.00 C ATOM 207 CG1 ILE A 13 1.514 -3.748 1.743 1.00 0.00 C ATOM 208 CG2 ILE A 13 1.272 -5.836 0.249 1.00 0.00 C ATOM 209 CD1 ILE A 13 0.764 -3.579 3.060 1.00 0.00 C ATOM 0 H ILE A 13 1.758 -1.913 -1.025 1.00 0.00 H new ATOM 0 HA ILE A 13 0.272 -4.342 -1.548 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.329 -4.557 1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.418 -4.329 1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.832 -2.766 1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.395 -6.412 1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.604 -6.369 -0.427 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.242 -5.704 -0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.411 -3.088 3.787 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.125 -2.970 2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.469 -4.558 3.439 1.00 0.00 H new ATOM 221 N THR A 14 -1.922 -3.072 -1.107 1.00 0.00 N ATOM 222 CA THR A 14 -3.219 -2.300 -1.079 1.00 0.00 C ATOM 223 C THR A 14 -3.969 -2.468 0.270 1.00 0.00 C ATOM 224 O THR A 14 -3.988 -3.607 0.844 1.00 0.00 O ATOM 225 CB THR A 14 -4.216 -2.682 -2.241 1.00 0.00 C ATOM 226 OG1 THR A 14 -4.311 -4.106 -2.395 1.00 0.00 O ATOM 227 CG2 THR A 14 -3.855 -2.052 -3.572 1.00 0.00 C ATOM 0 H THR A 14 -2.024 -3.998 -1.523 1.00 0.00 H new ATOM 0 HA THR A 14 -2.911 -1.263 -1.216 1.00 0.00 H new ATOM 0 HB THR A 14 -5.184 -2.279 -1.941 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.936 -4.316 -3.120 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.580 -2.355 -4.327 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.865 -0.966 -3.475 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.860 -2.381 -3.872 1.00 0.00 H new ATOM 235 N LEU A 15 -4.617 -1.314 0.716 1.00 0.00 N ATOM 236 CA LEU A 15 -5.451 -1.216 1.933 1.00 0.00 C ATOM 237 C LEU A 15 -6.930 -1.100 1.461 1.00 0.00 C ATOM 238 O LEU A 15 -7.321 -0.075 0.804 1.00 0.00 O ATOM 239 CB LEU A 15 -4.976 -0.052 2.857 1.00 0.00 C ATOM 240 CG LEU A 15 -5.080 -0.336 4.395 1.00 0.00 C ATOM 241 CD1 LEU A 15 -3.720 -0.243 5.084 1.00 0.00 C ATOM 242 CD2 LEU A 15 -6.071 0.609 5.083 1.00 0.00 C ATOM 0 H LEU A 15 -4.554 -0.430 0.211 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.355 -2.102 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.939 0.182 2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.564 0.836 2.627 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.449 -1.357 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.837 -0.447 6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.040 -0.974 4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.311 0.758 4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.114 0.379 6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.745 1.640 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.061 0.481 4.644 1.00 0.00 H new ATOM 254 N GLU A 16 -7.706 -2.228 1.731 1.00 0.00 N ATOM 255 CA GLU A 16 -9.137 -2.414 1.328 1.00 0.00 C ATOM 256 C GLU A 16 -10.033 -2.860 2.515 1.00 0.00 C ATOM 257 O GLU A 16 -9.570 -3.661 3.387 1.00 0.00 O ATOM 258 CB GLU A 16 -9.226 -3.431 0.160 1.00 0.00 C ATOM 259 CG GLU A 16 -9.123 -2.800 -1.236 1.00 0.00 C ATOM 260 CD GLU A 16 -9.787 -3.632 -2.331 1.00 0.00 C ATOM 261 OE1 GLU A 16 -10.993 -3.421 -2.595 1.00 0.00 O ATOM 262 OE2 GLU A 16 -9.095 -4.484 -2.936 1.00 0.00 O ATOM 0 H GLU A 16 -7.335 -3.030 2.240 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.516 -1.447 0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.430 -4.167 0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.171 -3.970 0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.581 -1.811 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.071 -2.659 -1.485 1.00 0.00 H new ATOM 269 N VAL A 17 -11.315 -2.310 2.515 1.00 0.00 N ATOM 270 CA VAL A 17 -12.390 -2.574 3.553 1.00 0.00 C ATOM 271 C VAL A 17 -13.424 -3.622 3.061 1.00 0.00 C ATOM 272 O VAL A 17 -13.766 -4.521 3.857 1.00 0.00 O ATOM 273 CB VAL A 17 -13.132 -1.263 4.132 1.00 0.00 C ATOM 274 CG1 VAL A 17 -12.268 -0.582 5.189 1.00 0.00 C ATOM 275 CG2 VAL A 17 -13.587 -0.196 3.083 1.00 0.00 C ATOM 276 OXT VAL A 17 -13.877 -3.531 1.892 1.00 0.00 O ATOM 0 H VAL A 17 -11.626 -1.668 1.786 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.840 -2.984 4.400 1.00 0.00 H new ATOM 0 HB VAL A 17 -14.055 -1.660 4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -12.784 0.300 5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.083 -1.275 6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.318 -0.284 4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -14.072 0.635 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.718 0.172 2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -14.289 -0.650 2.384 1.00 0.00 H new TER 286 VAL A 17