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+ 145:sc= -0.3 (180deg=-1.73!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -160: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 -13.987 0.624 -0.908 1.00 0.00 N ATOM 2 CA MET A 1 -12.956 1.702 -0.900 1.00 0.00 C ATOM 3 C MET A 1 -11.521 1.146 -1.130 1.00 0.00 C ATOM 4 O MET A 1 -11.183 0.032 -0.614 1.00 0.00 O ATOM 5 CB MET A 1 -13.047 2.455 0.454 1.00 0.00 C ATOM 6 CG MET A 1 -12.968 3.984 0.353 1.00 0.00 C ATOM 7 SD MET A 1 -13.786 4.822 1.729 1.00 0.00 S ATOM 8 CE MET A 1 -15.373 5.236 1.002 1.00 0.00 C ATOM 0 H1 MET A 1 -14.736 0.855 -0.225 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.399 0.544 -1.860 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.546 -0.280 -0.645 1.00 0.00 H new ATOM 0 HA MET A 1 -13.154 2.385 -1.726 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.985 2.186 0.940 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.242 2.107 1.101 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.922 4.287 0.320 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.423 4.305 -0.584 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.985 5.758 1.737 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.220 5.879 0.135 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.880 4.323 0.691 1.00 0.00 H new ATOM 20 N GLN A 2 -10.701 1.974 -1.898 1.00 0.00 N ATOM 21 CA GLN A 2 -9.275 1.705 -2.246 1.00 0.00 C ATOM 22 C GLN A 2 -8.408 2.961 -1.928 1.00 0.00 C ATOM 23 O GLN A 2 -8.755 4.106 -2.361 1.00 0.00 O ATOM 24 CB GLN A 2 -9.125 1.234 -3.729 1.00 0.00 C ATOM 25 CG GLN A 2 -8.051 0.150 -3.953 1.00 0.00 C ATOM 26 CD GLN A 2 -7.634 -0.016 -5.417 1.00 0.00 C ATOM 27 OE1 GLN A 2 -6.784 0.725 -5.925 1.00 0.00 O ATOM 28 NE2 GLN A 2 -8.210 -1.006 -6.108 1.00 0.00 N ATOM 0 H GLN A 2 -11.038 2.854 -2.288 1.00 0.00 H new ATOM 0 HA GLN A 2 -8.910 0.882 -1.631 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -10.086 0.852 -4.074 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.885 2.098 -4.348 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.170 0.397 -3.360 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.428 -0.803 -3.582 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.908 -1.601 -5.661 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.951 -1.166 -7.082 1.00 0.00 H new ATOM 37 N ILE A 3 -7.293 2.688 -1.145 1.00 0.00 N ATOM 38 CA ILE A 3 -6.268 3.686 -0.666 1.00 0.00 C ATOM 39 C ILE A 3 -4.883 2.987 -0.587 1.00 0.00 C ATOM 40 O ILE A 3 -4.746 1.949 0.126 1.00 0.00 O ATOM 41 CB ILE A 3 -6.636 4.488 0.694 1.00 0.00 C ATOM 42 CG1 ILE A 3 -7.303 3.606 1.841 1.00 0.00 C ATOM 43 CG2 ILE A 3 -7.531 5.690 0.347 1.00 0.00 C ATOM 44 CD1 ILE A 3 -6.522 3.551 3.144 1.00 0.00 C ATOM 0 H ILE A 3 -7.085 1.742 -0.826 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.249 4.485 -1.407 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.686 4.816 1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.299 3.998 2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.432 2.590 1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.781 6.233 1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.001 6.353 -0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.446 5.337 -0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.055 2.928 3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.535 3.128 2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.415 4.558 3.547 1.00 0.00 H new ATOM 56 N PHE A 4 -3.906 3.560 -1.392 1.00 0.00 N ATOM 57 CA PHE A 4 -2.502 3.057 -1.552 1.00 0.00 C ATOM 58 C PHE A 4 -1.532 3.613 -0.479 1.00 0.00 C ATOM 59 O PHE A 4 -1.621 4.826 -0.115 1.00 0.00 O ATOM 60 CB PHE A 4 -1.996 3.392 -2.998 1.00 0.00 C ATOM 61 CG PHE A 4 -2.115 2.294 -4.069 1.00 0.00 C ATOM 62 CD1 PHE A 4 -3.426 2.052 -4.850 1.00 0.00 C ATOM 63 CD2 PHE A 4 -0.895 1.450 -4.433 1.00 0.00 C ATOM 64 CE1 PHE A 4 -3.500 0.998 -5.931 1.00 0.00 C ATOM 65 CE2 PHE A 4 -0.972 0.401 -5.526 1.00 0.00 C ATOM 66 CZ PHE A 4 -2.273 0.175 -6.273 1.00 0.00 C ATOM 0 H PHE A 4 -4.088 4.395 -1.949 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.517 1.977 -1.406 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.544 4.266 -3.351 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.947 3.680 -2.928 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.300 2.643 -4.621 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.035 1.602 -3.905 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.427 0.831 -6.460 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.100 -0.186 -5.773 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.325 -0.573 -7.050 1.00 0.00 H new ATOM 76 N VAL A 5 -0.614 2.674 0.005 1.00 0.00 N ATOM 77 CA VAL A 5 0.447 2.920 1.037 1.00 0.00 C ATOM 78 C VAL A 5 1.795 2.236 0.559 1.00 0.00 C ATOM 79 O VAL A 5 1.785 1.000 0.300 1.00 0.00 O ATOM 80 CB VAL A 5 -0.084 2.533 2.537 1.00 0.00 C ATOM 81 CG1 VAL A 5 -0.303 1.022 2.842 1.00 0.00 C ATOM 82 CG2 VAL A 5 0.757 3.183 3.657 1.00 0.00 C ATOM 0 H VAL A 5 -0.608 1.711 -0.332 1.00 0.00 H new ATOM 0 HA VAL A 5 0.678 3.981 1.131 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.085 2.964 2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.654 0.905 3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.046 0.616 2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.638 0.486 2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.358 2.890 4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.792 2.850 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.716 4.268 3.560 1.00 0.00 H new ATOM 92 N LYS A 6 2.890 3.088 0.457 1.00 0.00 N ATOM 93 CA LYS A 6 4.265 2.688 0.016 1.00 0.00 C ATOM 94 C LYS A 6 5.323 2.851 1.150 1.00 0.00 C ATOM 95 O LYS A 6 5.239 3.823 1.959 1.00 0.00 O ATOM 96 CB LYS A 6 4.666 3.497 -1.245 1.00 0.00 C ATOM 97 CG LYS A 6 5.379 2.679 -2.336 1.00 0.00 C ATOM 98 CD LYS A 6 5.400 3.402 -3.690 1.00 0.00 C ATOM 99 CE LYS A 6 6.607 3.007 -4.535 1.00 0.00 C ATOM 100 NZ LYS A 6 6.449 3.419 -5.957 1.00 0.00 N ATOM 0 H LYS A 6 2.825 4.080 0.685 1.00 0.00 H new ATOM 0 HA LYS A 6 4.242 1.627 -0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.769 3.944 -1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.317 4.317 -0.942 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.402 2.473 -2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.880 1.716 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.485 3.173 -4.237 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.411 4.479 -3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.505 3.466 -4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.748 1.927 -4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.290 3.132 -6.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.606 2.961 -6.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.340 4.452 -6.009 1.00 0.00 H new ATOM 114 N THR A 7 6.310 1.866 1.150 1.00 0.00 N ATOM 115 CA THR A 7 7.468 1.763 2.114 1.00 0.00 C ATOM 116 C THR A 7 8.832 1.956 1.387 1.00 0.00 C ATOM 117 O THR A 7 8.980 1.516 0.206 1.00 0.00 O ATOM 118 CB THR A 7 7.493 0.402 2.906 1.00 0.00 C ATOM 119 OG1 THR A 7 7.181 -0.702 2.050 1.00 0.00 O ATOM 120 CG2 THR A 7 6.531 0.407 4.098 1.00 0.00 C ATOM 0 H THR A 7 6.313 1.113 0.462 1.00 0.00 H new ATOM 0 HA THR A 7 7.319 2.567 2.834 1.00 0.00 H new ATOM 0 HB THR A 7 8.508 0.289 3.286 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.893 -1.465 2.593 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.584 -0.553 4.612 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.810 1.204 4.787 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.514 0.573 3.744 1.00 0.00 H new ATOM 128 N LEU A 8 9.813 2.627 2.130 1.00 0.00 N ATOM 129 CA LEU A 8 11.227 2.957 1.666 1.00 0.00 C ATOM 130 C LEU A 8 12.151 1.693 1.429 1.00 0.00 C ATOM 131 O LEU A 8 13.197 1.822 0.716 1.00 0.00 O ATOM 132 CB LEU A 8 11.883 3.949 2.683 1.00 0.00 C ATOM 133 CG LEU A 8 12.261 5.361 2.107 1.00 0.00 C ATOM 134 CD1 LEU A 8 11.377 6.477 2.679 1.00 0.00 C ATOM 135 CD2 LEU A 8 13.734 5.697 2.350 1.00 0.00 C ATOM 0 H LEU A 8 9.633 2.954 3.079 1.00 0.00 H new ATOM 0 HA LEU A 8 11.135 3.422 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.198 4.089 3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.785 3.487 3.084 1.00 0.00 H new ATOM 0 HG LEU A 8 12.087 5.303 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.676 7.434 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.334 6.279 2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.491 6.512 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.956 6.681 1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.935 5.699 3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.362 4.950 1.865 1.00 0.00 H new ATOM 147 N ASP A 9 11.718 0.485 2.005 1.00 0.00 N ATOM 148 CA ASP A 9 12.418 -0.860 1.901 1.00 0.00 C ATOM 149 C ASP A 9 12.361 -1.479 0.466 1.00 0.00 C ATOM 150 O ASP A 9 13.384 -2.092 0.050 1.00 0.00 O ATOM 151 CB ASP A 9 11.839 -1.856 2.938 1.00 0.00 C ATOM 152 CG ASP A 9 12.907 -2.704 3.619 1.00 0.00 C ATOM 153 OD1 ASP A 9 13.222 -3.800 3.100 1.00 0.00 O ATOM 154 OD2 ASP A 9 13.419 -2.280 4.682 1.00 0.00 O ATOM 0 H ASP A 9 10.862 0.433 2.558 1.00 0.00 H new ATOM 0 HA ASP A 9 13.470 -0.675 2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 9 11.287 -1.301 3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.125 -2.513 2.441 1.00 0.00 H new ATOM 159 N GLY A 10 11.172 -1.276 -0.250 1.00 0.00 N ATOM 160 CA GLY A 10 10.916 -1.759 -1.637 1.00 0.00 C ATOM 161 C GLY A 10 9.823 -2.823 -1.735 1.00 0.00 C ATOM 162 O GLY A 10 10.081 -3.878 -2.370 1.00 0.00 O ATOM 0 H GLY A 10 10.380 -0.769 0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.638 -0.909 -2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.841 -2.165 -2.046 1.00 0.00 H new ATOM 166 N LYS A 11 8.610 -2.514 -1.111 1.00 0.00 N ATOM 167 CA LYS A 11 7.373 -3.395 -1.081 1.00 0.00 C ATOM 168 C LYS A 11 6.073 -2.538 -1.168 1.00 0.00 C ATOM 169 O LYS A 11 5.960 -1.518 -0.427 1.00 0.00 O ATOM 170 CB LYS A 11 7.330 -4.429 0.138 1.00 0.00 C ATOM 171 CG LYS A 11 7.619 -3.907 1.585 1.00 0.00 C ATOM 172 CD LYS A 11 8.274 -4.964 2.473 1.00 0.00 C ATOM 173 CE LYS A 11 8.128 -4.636 3.952 1.00 0.00 C ATOM 174 NZ LYS A 11 8.462 -5.803 4.815 1.00 0.00 N ATOM 0 H LYS A 11 8.472 -1.635 -0.612 1.00 0.00 H new ATOM 0 HA LYS A 11 7.433 -4.021 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.342 -4.889 0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.048 -5.220 -0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.268 -3.033 1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.685 -3.582 2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.824 -5.936 2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.332 -5.044 2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.780 -3.799 4.204 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.106 -4.316 4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.350 -5.539 5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.824 -6.593 4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.446 -6.093 4.641 1.00 0.00 H new ATOM 188 N THR A 12 5.129 -2.986 -2.089 1.00 0.00 N ATOM 189 CA THR A 12 3.797 -2.331 -2.361 1.00 0.00 C ATOM 190 C THR A 12 2.620 -3.272 -1.983 1.00 0.00 C ATOM 191 O THR A 12 2.652 -4.495 -2.331 1.00 0.00 O ATOM 192 CB THR A 12 3.629 -1.831 -3.845 1.00 0.00 C ATOM 193 OG1 THR A 12 4.112 -2.808 -4.781 1.00 0.00 O ATOM 194 CG2 THR A 12 4.339 -0.496 -4.086 1.00 0.00 C ATOM 0 H THR A 12 5.282 -3.817 -2.661 1.00 0.00 H new ATOM 0 HA THR A 12 3.774 -1.446 -1.725 1.00 0.00 H new ATOM 0 HB THR A 12 2.561 -1.683 -4.002 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.994 -2.472 -5.694 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.196 -0.190 -5.122 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.923 0.262 -3.423 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.404 -0.609 -3.884 1.00 0.00 H new ATOM 202 N ILE A 13 1.601 -2.660 -1.247 1.00 0.00 N ATOM 203 CA ILE A 13 0.336 -3.337 -0.733 1.00 0.00 C ATOM 204 C ILE A 13 -0.855 -2.336 -0.651 1.00 0.00 C ATOM 205 O ILE A 13 -0.651 -1.181 -0.175 1.00 0.00 O ATOM 206 CB ILE A 13 0.484 -4.143 0.660 1.00 0.00 C ATOM 207 CG1 ILE A 13 1.279 -3.383 1.820 1.00 0.00 C ATOM 208 CG2 ILE A 13 1.108 -5.524 0.396 1.00 0.00 C ATOM 209 CD1 ILE A 13 0.474 -3.156 3.095 1.00 0.00 C ATOM 0 H ILE A 13 1.641 -1.673 -0.995 1.00 0.00 H new ATOM 0 HA ILE A 13 0.132 -4.101 -1.483 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.531 -4.239 1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.172 -3.957 2.067 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.615 -2.418 1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.206 -6.065 1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.468 -6.089 -0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.092 -5.398 -0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.091 -2.635 3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.406 -2.554 2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.161 -4.117 3.503 1.00 0.00 H new ATOM 221 N THR A 14 -2.072 -2.825 -1.120 1.00 0.00 N ATOM 222 CA THR A 14 -3.372 -2.055 -1.141 1.00 0.00 C ATOM 223 C THR A 14 -4.161 -2.229 0.187 1.00 0.00 C ATOM 224 O THR A 14 -4.188 -3.370 0.757 1.00 0.00 O ATOM 225 CB THR A 14 -4.326 -2.443 -2.340 1.00 0.00 C ATOM 226 OG1 THR A 14 -4.453 -3.868 -2.458 1.00 0.00 O ATOM 227 CG2 THR A 14 -3.876 -1.869 -3.670 1.00 0.00 C ATOM 0 H THR A 14 -2.168 -3.769 -1.493 1.00 0.00 H new ATOM 0 HA THR A 14 -3.071 -1.016 -1.272 1.00 0.00 H new ATOM 0 HB THR A 14 -5.294 -2.003 -2.101 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.049 -4.082 -3.206 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.573 -2.172 -4.451 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.852 -0.781 -3.607 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.880 -2.241 -3.908 1.00 0.00 H new ATOM 235 N LEU A 15 -4.829 -1.084 0.622 1.00 0.00 N ATOM 236 CA LEU A 15 -5.693 -1.005 1.824 1.00 0.00 C ATOM 237 C LEU A 15 -7.164 -0.847 1.330 1.00 0.00 C ATOM 238 O LEU A 15 -7.568 0.250 0.802 1.00 0.00 O ATOM 239 CB LEU A 15 -5.208 0.109 2.808 1.00 0.00 C ATOM 240 CG LEU A 15 -5.143 -0.311 4.317 1.00 0.00 C ATOM 241 CD1 LEU A 15 -3.735 -0.159 4.892 1.00 0.00 C ATOM 242 CD2 LEU A 15 -6.134 0.482 5.174 1.00 0.00 C ATOM 0 H LEU A 15 -4.764 -0.196 0.124 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.633 -1.915 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.217 0.439 2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.873 0.967 2.715 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.420 -1.365 4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.735 -0.461 5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.044 -0.789 4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.421 0.882 4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.056 0.160 6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.904 1.545 5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.148 0.306 4.815 1.00 0.00 H new ATOM 254 N GLU A 16 -7.917 -2.015 1.437 1.00 0.00 N ATOM 255 CA GLU A 16 -9.331 -2.178 0.979 1.00 0.00 C ATOM 256 C GLU A 16 -10.264 -2.688 2.113 1.00 0.00 C ATOM 257 O GLU A 16 -9.827 -3.535 2.955 1.00 0.00 O ATOM 258 CB GLU A 16 -9.374 -3.131 -0.239 1.00 0.00 C ATOM 259 CG GLU A 16 -9.222 -2.431 -1.599 1.00 0.00 C ATOM 260 CD GLU A 16 -9.857 -3.201 -2.753 1.00 0.00 C ATOM 261 OE1 GLU A 16 -9.155 -4.029 -3.378 1.00 0.00 O ATOM 262 OE2 GLU A 16 -11.053 -2.962 -3.045 1.00 0.00 O ATOM 0 H GLU A 16 -7.538 -2.867 1.850 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.704 -1.197 0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.580 -3.871 -0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.319 -3.674 -0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.673 -1.440 -1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.162 -2.287 -1.808 1.00 0.00 H new ATOM 269 N VAL A 17 -11.550 -2.143 2.096 1.00 0.00 N ATOM 270 CA VAL A 17 -12.644 -2.459 3.066 1.00 0.00 C ATOM 271 C VAL A 17 -13.510 -3.667 2.534 1.00 0.00 C ATOM 272 O VAL A 17 -13.660 -4.656 3.280 1.00 0.00 O ATOM 273 CB VAL A 17 -13.446 -1.099 3.480 1.00 0.00 C ATOM 274 CG1 VAL A 17 -14.374 -0.468 2.399 1.00 0.00 C ATOM 275 CG2 VAL A 17 -14.203 -1.239 4.817 1.00 0.00 C ATOM 276 OXT VAL A 17 -14.009 -3.585 1.390 1.00 0.00 O ATOM 0 H VAL A 17 -11.838 -1.465 1.390 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.245 -2.821 4.014 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.629 -0.386 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -14.845 0.428 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.783 -0.204 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -15.143 -1.186 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -14.718 -0.305 5.043 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -14.932 -2.046 4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.495 -1.465 5.614 1.00 0.00 H new TER 286 VAL A 17