USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 141 hydrogens (3 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 142 SER OG : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 158 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 140 2.969 -5.179 24.805 1.00 0.00 C HETATM 2 O ACE A 140 4.145 -4.823 24.866 1.00 0.00 O HETATM 3 CH3 ACE A 140 1.882 -4.287 25.299 1.00 0.00 C HETATM 0 H1 ACE A 140 1.199 -4.058 24.481 1.00 0.00 H new HETATM 0 H2 ACE A 140 1.336 -4.787 26.099 1.00 0.00 H new HETATM 0 H3 ACE A 140 2.315 -3.362 25.679 1.00 0.00 H new ATOM 7 N GLY A 141 2.561 -6.341 24.317 1.00 0.00 N ATOM 8 CA GLY A 141 3.511 -7.311 23.800 1.00 0.00 C ATOM 9 C GLY A 141 3.379 -7.453 22.282 1.00 0.00 C ATOM 10 O GLY A 141 4.328 -7.189 21.545 1.00 0.00 O ATOM 0 H GLY A 141 1.585 -6.633 24.269 1.00 0.00 H new ATOM 0 HA2 GLY A 141 4.525 -7.002 24.053 1.00 0.00 H new ATOM 0 HA3 GLY A 141 3.344 -8.278 24.275 1.00 0.00 H new ATOM 14 N SER A 142 2.194 -7.871 21.860 1.00 0.00 N ATOM 15 CA SER A 142 1.926 -8.052 20.444 1.00 0.00 C ATOM 16 C SER A 142 1.173 -6.838 19.895 1.00 0.00 C ATOM 17 O SER A 142 0.062 -6.970 19.384 1.00 0.00 O ATOM 18 CB SER A 142 1.124 -9.330 20.194 1.00 0.00 C ATOM 19 OG SER A 142 1.965 -10.433 19.868 1.00 0.00 O ATOM 0 H SER A 142 1.409 -8.089 22.474 1.00 0.00 H new ATOM 0 HA SER A 142 2.880 -8.146 19.925 1.00 0.00 H new ATOM 0 HB2 SER A 142 0.539 -9.570 21.082 1.00 0.00 H new ATOM 0 HB3 SER A 142 0.417 -9.161 19.382 1.00 0.00 H new ATOM 0 HG SER A 142 1.415 -11.230 19.717 1.00 0.00 H new ATOM 25 N GLY A 143 1.809 -5.682 20.019 1.00 0.00 N ATOM 26 CA GLY A 143 1.214 -4.445 19.541 1.00 0.00 C ATOM 27 C GLY A 143 1.784 -4.054 18.176 1.00 0.00 C ATOM 28 O GLY A 143 1.656 -4.802 17.209 1.00 0.00 O ATOM 0 H GLY A 143 2.730 -5.576 20.444 1.00 0.00 H new ATOM 0 HA2 GLY A 143 0.133 -4.562 19.468 1.00 0.00 H new ATOM 0 HA3 GLY A 143 1.400 -3.646 20.259 1.00 0.00 H new ATOM 32 N VAL A 144 2.400 -2.881 18.142 1.00 0.00 N ATOM 33 CA VAL A 144 2.990 -2.381 16.912 1.00 0.00 C ATOM 34 C VAL A 144 3.518 -0.964 17.144 1.00 0.00 C ATOM 35 O VAL A 144 2.746 -0.049 17.429 1.00 0.00 O ATOM 36 CB VAL A 144 1.971 -2.461 15.773 1.00 0.00 C ATOM 37 CG1 VAL A 144 2.177 -3.727 14.941 1.00 0.00 C ATOM 38 CG2 VAL A 144 0.541 -2.385 16.311 1.00 0.00 C ATOM 0 H VAL A 144 2.503 -2.263 18.947 1.00 0.00 H new ATOM 0 HA VAL A 144 3.838 -2.999 16.616 1.00 0.00 H new ATOM 0 HB VAL A 144 2.130 -1.602 15.121 1.00 0.00 H new ATOM 0 HG11 VAL A 144 1.440 -3.759 14.139 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.179 -3.722 14.513 1.00 0.00 H new ATOM 0 HG13 VAL A 144 2.059 -4.604 15.577 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.163 -2.444 15.481 1.00 0.00 H new ATOM 0 HG22 VAL A 144 0.365 -3.215 16.996 1.00 0.00 H new ATOM 0 HG23 VAL A 144 0.401 -1.442 16.840 1.00 0.00 H new ATOM 48 N ARG A 145 4.829 -0.827 17.013 1.00 0.00 N ATOM 49 CA ARG A 145 5.469 0.463 17.205 1.00 0.00 C ATOM 50 C ARG A 145 5.147 1.395 16.035 1.00 0.00 C ATOM 51 O ARG A 145 4.903 0.936 14.921 1.00 0.00 O ATOM 52 CB ARG A 145 6.987 0.313 17.325 1.00 0.00 C ATOM 53 CG ARG A 145 7.588 -0.232 16.027 1.00 0.00 C ATOM 54 CD ARG A 145 8.969 -0.842 16.276 1.00 0.00 C ATOM 55 NE ARG A 145 9.161 -2.029 15.414 1.00 0.00 N ATOM 56 CZ ARG A 145 10.292 -2.765 15.382 1.00 0.00 C ATOM 57 NH1 ARG A 145 11.343 -2.443 16.165 1.00 0.00 N ATOM 58 NH2 ARG A 145 10.355 -3.806 14.572 1.00 0.00 N ATOM 0 H ARG A 145 5.466 -1.588 16.776 1.00 0.00 H new ATOM 0 HA ARG A 145 5.083 0.889 18.131 1.00 0.00 H new ATOM 0 HB2 ARG A 145 7.434 1.279 17.560 1.00 0.00 H new ATOM 0 HB3 ARG A 145 7.226 -0.358 18.150 1.00 0.00 H new ATOM 0 HG2 ARG A 145 6.925 -0.986 15.603 1.00 0.00 H new ATOM 0 HG3 ARG A 145 7.668 0.571 15.294 1.00 0.00 H new ATOM 0 HD2 ARG A 145 9.744 -0.104 16.070 1.00 0.00 H new ATOM 0 HD3 ARG A 145 9.067 -1.124 17.324 1.00 0.00 H new ATOM 0 HE ARG A 145 8.391 -2.308 14.806 1.00 0.00 H new ATOM 0 HH11 ARG A 145 11.287 -1.637 16.788 1.00 0.00 H new ATOM 0 HH12 ARG A 145 12.193 -3.005 16.134 1.00 0.00 H new ATOM 0 HH21 ARG A 145 9.557 -4.043 13.983 1.00 0.00 H new ATOM 0 HH22 ARG A 145 11.202 -4.373 14.535 1.00 0.00 H new ATOM 71 N GLY A 146 5.156 2.687 16.329 1.00 0.00 N ATOM 72 CA GLY A 146 4.868 3.687 15.315 1.00 0.00 C ATOM 73 C GLY A 146 4.306 4.962 15.947 1.00 0.00 C ATOM 74 O GLY A 146 3.954 4.972 17.126 1.00 0.00 O ATOM 0 H GLY A 146 5.358 3.064 17.255 1.00 0.00 H new ATOM 0 HA2 GLY A 146 5.777 3.921 14.762 1.00 0.00 H new ATOM 0 HA3 GLY A 146 4.152 3.287 14.597 1.00 0.00 H new ATOM 78 N ASP A 147 4.239 6.007 15.135 1.00 0.00 N ATOM 79 CA ASP A 147 3.726 7.285 15.600 1.00 0.00 C ATOM 80 C ASP A 147 2.329 7.511 15.018 1.00 0.00 C ATOM 81 O ASP A 147 1.994 6.964 13.969 1.00 0.00 O ATOM 82 CB ASP A 147 4.622 8.438 15.143 1.00 0.00 C ATOM 83 CG ASP A 147 5.490 9.057 16.240 1.00 0.00 C ATOM 84 OD1 ASP A 147 5.566 8.538 17.363 1.00 0.00 O ATOM 85 OD2 ASP A 147 6.115 10.132 15.898 1.00 0.00 O ATOM 0 H ASP A 147 4.531 5.995 14.158 1.00 0.00 H new ATOM 0 HA ASP A 147 3.698 7.261 16.689 1.00 0.00 H new ATOM 0 HB2 ASP A 147 5.272 8.079 14.346 1.00 0.00 H new ATOM 0 HB3 ASP A 147 3.994 9.219 14.714 1.00 0.00 H new ATOM 91 N PHE A 148 1.552 8.319 15.725 1.00 0.00 N ATOM 92 CA PHE A 148 0.200 8.624 15.291 1.00 0.00 C ATOM 93 C PHE A 148 0.149 8.866 13.781 1.00 0.00 C ATOM 94 O PHE A 148 1.023 9.530 13.226 1.00 0.00 O ATOM 95 CB PHE A 148 -0.224 9.904 16.015 1.00 0.00 C ATOM 96 CG PHE A 148 0.748 11.072 15.834 1.00 0.00 C ATOM 97 CD1 PHE A 148 0.659 11.867 14.734 1.00 0.00 C ATOM 98 CD2 PHE A 148 1.701 11.315 16.774 1.00 0.00 C ATOM 99 CE1 PHE A 148 1.562 12.950 14.567 1.00 0.00 C ATOM 100 CE2 PHE A 148 2.603 12.398 16.606 1.00 0.00 C ATOM 101 CZ PHE A 148 2.515 13.193 15.506 1.00 0.00 C ATOM 0 H PHE A 148 1.833 8.771 16.595 1.00 0.00 H new ATOM 0 HA PHE A 148 -0.461 7.788 15.520 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -1.208 10.204 15.655 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -0.326 9.691 17.079 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -0.098 11.675 13.988 1.00 0.00 H new ATOM 0 HD2 PHE A 148 1.771 10.684 17.648 1.00 0.00 H new ATOM 0 HE1 PHE A 148 1.492 13.581 13.693 1.00 0.00 H new ATOM 0 HE2 PHE A 148 3.360 12.591 17.352 1.00 0.00 H new ATOM 0 HZ PHE A 148 3.202 14.017 15.378 1.00 0.00 H new ATOM 111 N GLY A 149 -0.882 8.313 13.160 1.00 0.00 N ATOM 112 CA GLY A 149 -1.058 8.461 11.725 1.00 0.00 C ATOM 113 C GLY A 149 -1.101 7.096 11.035 1.00 0.00 C ATOM 114 O GLY A 149 -0.153 6.318 11.129 1.00 0.00 O ATOM 0 H GLY A 149 -1.604 7.762 13.624 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -1.981 9.004 11.522 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -0.242 9.055 11.314 1.00 0.00 H new ATOM 118 N SER A 150 -2.212 6.846 10.356 1.00 0.00 N ATOM 119 CA SER A 150 -2.391 5.589 9.651 1.00 0.00 C ATOM 120 C SER A 150 -2.064 5.770 8.167 1.00 0.00 C ATOM 121 O SER A 150 -2.315 6.831 7.598 1.00 0.00 O ATOM 122 CB SER A 150 -3.817 5.061 9.820 1.00 0.00 C ATOM 123 OG SER A 150 -3.982 4.352 11.045 1.00 0.00 O ATOM 0 H SER A 150 -2.997 7.493 10.280 1.00 0.00 H new ATOM 0 HA SER A 150 -1.708 4.856 10.080 1.00 0.00 H new ATOM 0 HB2 SER A 150 -4.519 5.895 9.786 1.00 0.00 H new ATOM 0 HB3 SER A 150 -4.062 4.404 8.985 1.00 0.00 H new ATOM 0 HG SER A 150 -4.906 4.033 11.116 1.00 0.00 H new ATOM 129 N LEU A 151 -1.509 4.718 7.584 1.00 0.00 N ATOM 130 CA LEU A 151 -1.145 4.748 6.177 1.00 0.00 C ATOM 131 C LEU A 151 -0.836 3.326 5.705 1.00 0.00 C ATOM 132 O LEU A 151 -0.750 2.404 6.514 1.00 0.00 O ATOM 133 CB LEU A 151 -0.003 5.737 5.940 1.00 0.00 C ATOM 134 CG LEU A 151 1.388 5.273 6.377 1.00 0.00 C ATOM 135 CD1 LEU A 151 2.303 5.068 5.168 1.00 0.00 C ATOM 136 CD2 LEU A 151 1.993 6.239 7.397 1.00 0.00 C ATOM 0 H LEU A 151 -1.302 3.840 8.060 1.00 0.00 H new ATOM 0 HA LEU A 151 -1.978 5.110 5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 151 0.032 5.973 4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -0.237 6.664 6.464 1.00 0.00 H new ATOM 0 HG LEU A 151 1.286 4.307 6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 151 3.285 4.738 5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 151 1.873 4.312 4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 151 2.403 6.007 4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 151 2.981 5.886 7.691 1.00 0.00 H new ATOM 0 HD22 LEU A 151 2.079 7.230 6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 151 1.350 6.290 8.276 1.00 0.00 H new ATOM 148 N ALA A 152 -0.676 3.193 4.396 1.00 0.00 N ATOM 149 CA ALA A 152 -0.378 1.899 3.806 1.00 0.00 C ATOM 150 C ALA A 152 0.988 1.959 3.120 1.00 0.00 C ATOM 151 O ALA A 152 1.644 2.999 3.126 1.00 0.00 O ATOM 152 CB ALA A 152 -1.499 1.507 2.841 1.00 0.00 C ATOM 0 H ALA A 152 -0.747 3.960 3.728 1.00 0.00 H new ATOM 0 HA ALA A 152 -0.327 1.129 4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -1.275 0.536 2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -2.443 1.450 3.384 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -1.579 2.255 2.053 1.00 0.00 H new ATOM 158 N PRO A 153 1.387 0.800 2.531 1.00 0.00 N ATOM 159 CA PRO A 153 2.663 0.711 1.842 1.00 0.00 C ATOM 160 C PRO A 153 2.606 1.420 0.487 1.00 0.00 C ATOM 161 O PRO A 153 1.544 1.877 0.066 1.00 0.00 O ATOM 162 CB PRO A 153 2.941 -0.779 1.720 1.00 0.00 C ATOM 163 CG PRO A 153 1.604 -1.471 1.926 1.00 0.00 C ATOM 164 CD PRO A 153 0.636 -0.452 2.504 1.00 0.00 C ATOM 0 HA PRO A 153 3.467 1.211 2.382 1.00 0.00 H new ATOM 0 HB2 PRO A 153 3.359 -1.020 0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 153 3.667 -1.103 2.465 1.00 0.00 H new ATOM 0 HG2 PRO A 153 1.227 -1.862 0.981 1.00 0.00 H new ATOM 0 HG3 PRO A 153 1.713 -2.320 2.601 1.00 0.00 H new ATOM 0 HD2 PRO A 153 -0.259 -0.363 1.889 1.00 0.00 H new ATOM 0 HD3 PRO A 153 0.309 -0.739 3.503 1.00 0.00 H new ATOM 172 N ARG A 154 3.761 1.491 -0.157 1.00 0.00 N ATOM 173 CA ARG A 154 3.856 2.138 -1.455 1.00 0.00 C ATOM 174 C ARG A 154 4.850 1.393 -2.347 1.00 0.00 C ATOM 175 O ARG A 154 6.025 1.751 -2.408 1.00 0.00 O ATOM 176 CB ARG A 154 4.301 3.595 -1.313 1.00 0.00 C ATOM 177 CG ARG A 154 4.120 4.353 -2.629 1.00 0.00 C ATOM 178 CD ARG A 154 2.757 5.046 -2.681 1.00 0.00 C ATOM 179 NE ARG A 154 2.130 4.831 -4.004 1.00 0.00 N ATOM 180 CZ ARG A 154 0.863 5.184 -4.307 1.00 0.00 C ATOM 181 NH1 ARG A 154 0.075 5.773 -3.382 1.00 0.00 N ATOM 182 NH2 ARG A 154 0.405 4.945 -5.522 1.00 0.00 N ATOM 0 H ARG A 154 4.640 1.111 0.196 1.00 0.00 H new ATOM 0 HA ARG A 154 2.866 2.115 -1.910 1.00 0.00 H new ATOM 0 HB2 ARG A 154 3.723 4.081 -0.527 1.00 0.00 H new ATOM 0 HB3 ARG A 154 5.347 3.632 -1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 154 4.913 5.093 -2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 154 4.212 3.662 -3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 154 2.111 4.655 -1.895 1.00 0.00 H new ATOM 0 HD3 ARG A 154 2.875 6.113 -2.495 1.00 0.00 H new ATOM 0 HE ARG A 154 2.690 4.388 -4.732 1.00 0.00 H new ATOM 0 HH11 ARG A 154 0.436 5.955 -2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -0.881 6.036 -3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 154 1.006 4.500 -6.215 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -0.550 5.205 -5.767 1.00 0.00 H new ATOM 195 N VAL A 155 4.343 0.369 -3.018 1.00 0.00 N ATOM 196 CA VAL A 155 5.172 -0.430 -3.905 1.00 0.00 C ATOM 197 C VAL A 155 4.947 0.020 -5.350 1.00 0.00 C ATOM 198 O VAL A 155 4.170 0.940 -5.603 1.00 0.00 O ATOM 199 CB VAL A 155 4.885 -1.917 -3.691 1.00 0.00 C ATOM 200 CG1 VAL A 155 4.321 -2.171 -2.291 1.00 0.00 C ATOM 201 CG2 VAL A 155 3.941 -2.454 -4.768 1.00 0.00 C ATOM 0 H VAL A 155 3.368 0.074 -2.965 1.00 0.00 H new ATOM 0 HA VAL A 155 6.228 -0.280 -3.679 1.00 0.00 H new ATOM 0 HB VAL A 155 5.829 -2.455 -3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 155 4.126 -3.236 -2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 155 5.043 -1.844 -1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 155 3.392 -1.615 -2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 155 3.754 -3.513 -4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 155 2.999 -1.908 -4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 155 4.397 -2.324 -5.749 1.00 0.00 H new ATOM 211 N ALA A 156 5.640 -0.649 -6.259 1.00 0.00 N ATOM 212 CA ALA A 156 5.525 -0.329 -7.672 1.00 0.00 C ATOM 213 C ALA A 156 5.507 -1.626 -8.484 1.00 0.00 C ATOM 214 O ALA A 156 4.678 -1.791 -9.378 1.00 0.00 O ATOM 215 CB ALA A 156 6.671 0.599 -8.080 1.00 0.00 C ATOM 0 H ALA A 156 6.283 -1.411 -6.045 1.00 0.00 H new ATOM 0 HA ALA A 156 4.592 0.198 -7.872 1.00 0.00 H new ATOM 0 HB1 ALA A 156 6.585 0.839 -9.140 1.00 0.00 H new ATOM 0 HB2 ALA A 156 6.622 1.517 -7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 156 7.624 0.103 -7.897 1.00 0.00 H new ATOM 221 N ARG A 157 6.431 -2.512 -8.144 1.00 0.00 N ATOM 222 CA ARG A 157 6.531 -3.789 -8.830 1.00 0.00 C ATOM 223 C ARG A 157 5.633 -4.827 -8.154 1.00 0.00 C ATOM 224 O ARG A 157 5.157 -5.758 -8.803 1.00 0.00 O ATOM 225 CB ARG A 157 7.973 -4.300 -8.836 1.00 0.00 C ATOM 226 CG ARG A 157 8.967 -3.137 -8.789 1.00 0.00 C ATOM 227 CD ARG A 157 10.260 -3.491 -9.526 1.00 0.00 C ATOM 228 NE ARG A 157 11.431 -3.129 -8.695 1.00 0.00 N ATOM 229 CZ ARG A 157 11.933 -3.909 -7.714 1.00 0.00 C ATOM 230 NH1 ARG A 157 11.370 -5.103 -7.432 1.00 0.00 N ATOM 231 NH2 ARG A 157 12.983 -3.486 -7.035 1.00 0.00 N ATOM 0 H ARG A 157 7.117 -2.371 -7.403 1.00 0.00 H new ATOM 0 HA ARG A 157 6.207 -3.638 -9.860 1.00 0.00 H new ATOM 0 HB2 ARG A 157 8.134 -4.955 -7.980 1.00 0.00 H new ATOM 0 HB3 ARG A 157 8.148 -4.896 -9.732 1.00 0.00 H new ATOM 0 HG2 ARG A 157 8.518 -2.252 -9.240 1.00 0.00 H new ATOM 0 HG3 ARG A 157 9.192 -2.888 -7.752 1.00 0.00 H new ATOM 0 HD2 ARG A 157 10.279 -4.557 -9.752 1.00 0.00 H new ATOM 0 HD3 ARG A 157 10.302 -2.963 -10.478 1.00 0.00 H new ATOM 0 HE ARG A 157 11.887 -2.234 -8.875 1.00 0.00 H new ATOM 0 HH11 ARG A 157 10.559 -5.422 -7.962 1.00 0.00 H new ATOM 0 HH12 ARG A 157 11.756 -5.686 -6.689 1.00 0.00 H new ATOM 0 HH21 ARG A 157 13.402 -2.582 -7.255 1.00 0.00 H new ATOM 0 HH22 ARG A 157 13.375 -4.063 -6.291 1.00 0.00 H new ATOM 244 N GLN A 158 5.428 -4.633 -6.860 1.00 0.00 N ATOM 245 CA GLN A 158 4.595 -5.540 -6.089 1.00 0.00 C ATOM 246 C GLN A 158 3.116 -5.195 -6.279 1.00 0.00 C ATOM 247 O GLN A 158 2.786 -4.133 -6.805 1.00 0.00 O ATOM 248 CB GLN A 158 4.978 -5.513 -4.609 1.00 0.00 C ATOM 249 CG GLN A 158 5.669 -6.814 -4.197 1.00 0.00 C ATOM 250 CD GLN A 158 5.218 -7.258 -2.804 1.00 0.00 C ATOM 251 OE1 GLN A 158 4.378 -8.128 -2.644 1.00 0.00 O ATOM 252 NE2 GLN A 158 5.821 -6.614 -1.809 1.00 0.00 N ATOM 0 H GLN A 158 5.825 -3.860 -6.325 1.00 0.00 H new ATOM 0 HA GLN A 158 4.761 -6.553 -6.455 1.00 0.00 H new ATOM 0 HB2 GLN A 158 5.640 -4.669 -4.417 1.00 0.00 H new ATOM 0 HB3 GLN A 158 4.085 -5.363 -4.002 1.00 0.00 H new ATOM 0 HG2 GLN A 158 5.443 -7.595 -4.922 1.00 0.00 H new ATOM 0 HG3 GLN A 158 6.750 -6.674 -4.206 1.00 0.00 H new ATOM 0 HE21 GLN A 158 6.516 -5.896 -2.013 1.00 0.00 H new ATOM 0 HE22 GLN A 158 5.589 -6.838 -0.841 1.00 0.00 H new ATOM 261 N LEU A 159 2.266 -6.112 -5.841 1.00 0.00 N ATOM 262 CA LEU A 159 0.831 -5.917 -5.956 1.00 0.00 C ATOM 263 C LEU A 159 0.416 -4.707 -5.118 1.00 0.00 C ATOM 264 O LEU A 159 -0.759 -4.343 -5.086 1.00 0.00 O ATOM 265 CB LEU A 159 0.085 -7.203 -5.592 1.00 0.00 C ATOM 266 CG LEU A 159 0.115 -8.316 -6.642 1.00 0.00 C ATOM 267 CD1 LEU A 159 -0.005 -9.692 -5.985 1.00 0.00 C ATOM 268 CD2 LEU A 159 -0.960 -8.094 -7.707 1.00 0.00 C ATOM 269 OXT LEU A 159 1.376 -4.132 -4.477 1.00 0.00 O ATOM 0 H LEU A 159 2.544 -6.992 -5.406 1.00 0.00 H new ATOM 0 HA LEU A 159 0.558 -5.698 -6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.505 -7.594 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -0.956 -6.951 -5.388 1.00 0.00 H new ATOM 0 HG LEU A 159 1.080 -8.283 -7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 159 0.019 -10.465 -6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 159 0.826 -9.840 -5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.946 -9.753 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -0.917 -8.899 -8.441 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -1.943 -8.085 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -0.788 -7.140 -8.205 1.00 0.00 H new TER 282 LEU A 159