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= -1.2 K(o=-1.2,f=-3.2!) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 140 2.712 2.841 29.624 1.00 0.00 C HETATM 2 O ACE A 140 3.593 2.533 30.425 1.00 0.00 O HETATM 3 CH3 ACE A 140 2.848 2.496 28.181 1.00 0.00 C HETATM 0 H1 ACE A 140 2.020 1.853 27.881 1.00 0.00 H new HETATM 0 H2 ACE A 140 2.833 3.409 27.586 1.00 0.00 H new HETATM 0 H3 ACE A 140 3.791 1.973 28.019 1.00 0.00 H new ATOM 7 N GLY A 141 1.598 3.483 29.944 1.00 0.00 N ATOM 8 CA GLY A 141 1.332 3.882 31.315 1.00 0.00 C ATOM 9 C GLY A 141 -0.138 4.265 31.500 1.00 0.00 C ATOM 10 O GLY A 141 -0.993 3.397 31.666 1.00 0.00 O ATOM 0 H GLY A 141 0.869 3.737 29.277 1.00 0.00 H new ATOM 0 HA2 GLY A 141 1.586 3.066 31.991 1.00 0.00 H new ATOM 0 HA3 GLY A 141 1.968 4.726 31.582 1.00 0.00 H new ATOM 14 N SER A 142 -0.387 5.566 31.464 1.00 0.00 N ATOM 15 CA SER A 142 -1.738 6.074 31.625 1.00 0.00 C ATOM 16 C SER A 142 -2.470 6.051 30.281 1.00 0.00 C ATOM 17 O SER A 142 -1.868 5.761 29.248 1.00 0.00 O ATOM 18 CB SER A 142 -1.729 7.492 32.199 1.00 0.00 C ATOM 19 OG SER A 142 -0.971 7.575 33.403 1.00 0.00 O ATOM 0 H SER A 142 0.325 6.283 31.326 1.00 0.00 H new ATOM 0 HA SER A 142 -2.263 5.429 32.329 1.00 0.00 H new ATOM 0 HB2 SER A 142 -1.315 8.179 31.461 1.00 0.00 H new ATOM 0 HB3 SER A 142 -2.753 7.812 32.392 1.00 0.00 H new ATOM 0 HG SER A 142 -0.988 8.496 33.737 1.00 0.00 H new ATOM 25 N GLY A 143 -3.757 6.361 30.338 1.00 0.00 N ATOM 26 CA GLY A 143 -4.576 6.379 29.139 1.00 0.00 C ATOM 27 C GLY A 143 -4.247 7.594 28.268 1.00 0.00 C ATOM 28 O GLY A 143 -3.440 8.438 28.654 1.00 0.00 O ATOM 0 H GLY A 143 -4.252 6.602 31.196 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -4.413 5.464 28.569 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -5.630 6.400 29.415 1.00 0.00 H new ATOM 32 N VAL A 144 -4.888 7.643 27.110 1.00 0.00 N ATOM 33 CA VAL A 144 -4.674 8.740 26.182 1.00 0.00 C ATOM 34 C VAL A 144 -5.447 8.468 24.890 1.00 0.00 C ATOM 35 O VAL A 144 -5.165 7.500 24.186 1.00 0.00 O ATOM 36 CB VAL A 144 -3.175 8.944 25.950 1.00 0.00 C ATOM 37 CG1 VAL A 144 -2.629 10.060 26.842 1.00 0.00 C ATOM 38 CG2 VAL A 144 -2.404 7.640 26.168 1.00 0.00 C ATOM 0 H VAL A 144 -5.556 6.940 26.793 1.00 0.00 H new ATOM 0 HA VAL A 144 -5.055 9.672 26.599 1.00 0.00 H new ATOM 0 HB VAL A 144 -3.035 9.246 24.912 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -1.562 10.184 26.657 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -3.147 10.992 26.617 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -2.788 9.800 27.889 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -1.341 7.813 25.997 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -2.555 7.294 27.191 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -2.765 6.883 25.472 1.00 0.00 H new ATOM 48 N ARG A 145 -6.407 9.340 24.618 1.00 0.00 N ATOM 49 CA ARG A 145 -7.223 9.206 23.423 1.00 0.00 C ATOM 50 C ARG A 145 -6.361 8.765 22.239 1.00 0.00 C ATOM 51 O ARG A 145 -5.509 9.519 21.772 1.00 0.00 O ATOM 52 CB ARG A 145 -7.915 10.526 23.078 1.00 0.00 C ATOM 53 CG ARG A 145 -9.285 10.620 23.754 1.00 0.00 C ATOM 54 CD ARG A 145 -10.144 11.706 23.103 1.00 0.00 C ATOM 55 NE ARG A 145 -11.508 11.190 22.851 1.00 0.00 N ATOM 56 CZ ARG A 145 -12.545 11.956 22.451 1.00 0.00 C ATOM 57 NH1 ARG A 145 -12.382 13.281 22.253 1.00 0.00 N ATOM 58 NH2 ARG A 145 -13.721 11.389 22.255 1.00 0.00 N ATOM 0 H ARG A 145 -6.638 10.142 25.205 1.00 0.00 H new ATOM 0 HA ARG A 145 -7.984 8.452 23.624 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -7.291 11.362 23.395 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -8.032 10.608 21.997 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -9.795 9.659 23.686 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -9.157 10.839 24.814 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -10.191 12.581 23.751 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -9.689 12.028 22.166 1.00 0.00 H new ATOM 0 HE ARG A 145 -11.675 10.193 22.988 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -11.470 13.711 22.406 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -13.171 13.852 21.951 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -13.835 10.387 22.406 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -14.515 11.953 21.953 1.00 0.00 H new ATOM 71 N GLY A 146 -6.614 7.546 21.786 1.00 0.00 N ATOM 72 CA GLY A 146 -5.872 6.995 20.664 1.00 0.00 C ATOM 73 C GLY A 146 -6.141 7.791 19.386 1.00 0.00 C ATOM 74 O GLY A 146 -7.278 8.175 19.117 1.00 0.00 O ATOM 0 H GLY A 146 -7.322 6.924 22.175 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -4.805 7.008 20.887 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -6.153 5.953 20.514 1.00 0.00 H new ATOM 78 N ASP A 147 -5.075 8.015 18.631 1.00 0.00 N ATOM 79 CA ASP A 147 -5.182 8.758 17.387 1.00 0.00 C ATOM 80 C ASP A 147 -5.485 7.788 16.243 1.00 0.00 C ATOM 81 O ASP A 147 -4.992 6.661 16.233 1.00 0.00 O ATOM 82 CB ASP A 147 -3.872 9.479 17.061 1.00 0.00 C ATOM 83 CG ASP A 147 -2.675 8.561 16.806 1.00 0.00 C ATOM 84 OD1 ASP A 147 -1.886 8.271 17.718 1.00 0.00 O ATOM 85 OD2 ASP A 147 -2.566 8.131 15.594 1.00 0.00 O ATOM 0 H ASP A 147 -4.133 7.695 18.857 1.00 0.00 H new ATOM 0 HA ASP A 147 -5.979 9.493 17.501 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -4.027 10.102 16.180 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -3.628 10.148 17.886 1.00 0.00 H new ATOM 91 N PHE A 148 -6.293 8.262 15.306 1.00 0.00 N ATOM 92 CA PHE A 148 -6.668 7.450 14.160 1.00 0.00 C ATOM 93 C PHE A 148 -5.966 7.938 12.891 1.00 0.00 C ATOM 94 O PHE A 148 -5.609 9.110 12.786 1.00 0.00 O ATOM 95 CB PHE A 148 -8.180 7.599 13.982 1.00 0.00 C ATOM 96 CG PHE A 148 -8.602 8.911 13.318 1.00 0.00 C ATOM 97 CD1 PHE A 148 -8.604 9.018 11.962 1.00 0.00 C ATOM 98 CD2 PHE A 148 -8.976 9.971 14.084 1.00 0.00 C ATOM 99 CE1 PHE A 148 -8.996 10.235 11.346 1.00 0.00 C ATOM 100 CE2 PHE A 148 -9.368 11.189 13.468 1.00 0.00 C ATOM 101 CZ PHE A 148 -9.370 11.295 12.112 1.00 0.00 C ATOM 0 H PHE A 148 -6.699 9.198 15.317 1.00 0.00 H new ATOM 0 HA PHE A 148 -6.379 6.412 14.327 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -8.549 6.766 13.384 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -8.659 7.527 14.958 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -8.307 8.176 11.354 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -8.975 9.886 15.161 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -8.997 10.319 10.269 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -9.664 12.031 14.076 1.00 0.00 H new ATOM 0 HZ PHE A 148 -9.669 12.221 11.643 1.00 0.00 H new ATOM 111 N GLY A 149 -5.790 7.013 11.959 1.00 0.00 N ATOM 112 CA GLY A 149 -5.137 7.333 10.701 1.00 0.00 C ATOM 113 C GLY A 149 -3.900 6.459 10.486 1.00 0.00 C ATOM 114 O GLY A 149 -2.977 6.472 11.299 1.00 0.00 O ATOM 0 H GLY A 149 -6.088 6.042 12.050 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -5.836 7.188 9.877 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -4.849 8.384 10.694 1.00 0.00 H new ATOM 118 N SER A 150 -3.921 5.719 9.387 1.00 0.00 N ATOM 119 CA SER A 150 -2.813 4.840 9.055 1.00 0.00 C ATOM 120 C SER A 150 -2.457 4.983 7.574 1.00 0.00 C ATOM 121 O SER A 150 -3.330 5.222 6.742 1.00 0.00 O ATOM 122 CB SER A 150 -3.149 3.383 9.382 1.00 0.00 C ATOM 123 OG SER A 150 -3.189 3.147 10.787 1.00 0.00 O ATOM 0 H SER A 150 -4.688 5.710 8.715 1.00 0.00 H new ATOM 0 HA SER A 150 -1.953 5.131 9.658 1.00 0.00 H new ATOM 0 HB2 SER A 150 -4.113 3.126 8.944 1.00 0.00 H new ATOM 0 HB3 SER A 150 -2.407 2.728 8.925 1.00 0.00 H new ATOM 0 HG SER A 150 -3.408 2.207 10.955 1.00 0.00 H new ATOM 129 N LEU A 151 -1.172 4.830 7.291 1.00 0.00 N ATOM 130 CA LEU A 151 -0.689 4.940 5.924 1.00 0.00 C ATOM 131 C LEU A 151 -0.347 3.545 5.396 1.00 0.00 C ATOM 132 O LEU A 151 -0.033 2.643 6.171 1.00 0.00 O ATOM 133 CB LEU A 151 0.475 5.930 5.845 1.00 0.00 C ATOM 134 CG LEU A 151 0.141 7.314 5.283 1.00 0.00 C ATOM 135 CD1 LEU A 151 -0.369 7.213 3.844 1.00 0.00 C ATOM 136 CD2 LEU A 151 -0.847 8.050 6.191 1.00 0.00 C ATOM 0 H LEU A 151 -0.450 4.631 7.984 1.00 0.00 H new ATOM 0 HA LEU A 151 -1.466 5.346 5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 151 0.888 6.056 6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 151 1.260 5.490 5.230 1.00 0.00 H new ATOM 0 HG LEU A 151 1.057 7.904 5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -0.599 8.210 3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 151 0.398 6.757 3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -1.270 6.599 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -1.068 9.031 5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -1.768 7.473 6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -0.409 8.171 7.182 1.00 0.00 H new ATOM 148 N ALA A 152 -0.419 3.412 4.079 1.00 0.00 N ATOM 149 CA ALA A 152 -0.121 2.143 3.438 1.00 0.00 C ATOM 150 C ALA A 152 1.345 2.131 2.998 1.00 0.00 C ATOM 151 O ALA A 152 2.066 3.105 3.203 1.00 0.00 O ATOM 152 CB ALA A 152 -1.082 1.924 2.268 1.00 0.00 C ATOM 0 H ALA A 152 -0.679 4.162 3.439 1.00 0.00 H new ATOM 0 HA ALA A 152 -0.263 1.318 4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -0.858 0.972 1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -2.108 1.912 2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -0.966 2.732 1.545 1.00 0.00 H new ATOM 158 N PRO A 153 1.751 0.986 2.386 1.00 0.00 N ATOM 159 CA PRO A 153 3.118 0.834 1.916 1.00 0.00 C ATOM 160 C PRO A 153 3.351 1.642 0.637 1.00 0.00 C ATOM 161 O PRO A 153 2.440 2.304 0.143 1.00 0.00 O ATOM 162 CB PRO A 153 3.300 -0.662 1.715 1.00 0.00 C ATOM 163 CG PRO A 153 1.899 -1.245 1.633 1.00 0.00 C ATOM 164 CD PRO A 153 0.924 -0.189 2.127 1.00 0.00 C ATOM 0 HA PRO A 153 3.852 1.220 2.623 1.00 0.00 H new ATOM 0 HB2 PRO A 153 3.863 -0.868 0.804 1.00 0.00 H new ATOM 0 HB3 PRO A 153 3.858 -1.102 2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 153 1.664 -1.531 0.608 1.00 0.00 H new ATOM 0 HG3 PRO A 153 1.825 -2.147 2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 153 0.158 0.023 1.381 1.00 0.00 H new ATOM 0 HD3 PRO A 153 0.408 -0.517 3.029 1.00 0.00 H new ATOM 172 N ARG A 154 4.575 1.560 0.139 1.00 0.00 N ATOM 173 CA ARG A 154 4.940 2.275 -1.073 1.00 0.00 C ATOM 174 C ARG A 154 5.618 1.328 -2.065 1.00 0.00 C ATOM 175 O ARG A 154 6.843 1.307 -2.171 1.00 0.00 O ATOM 176 CB ARG A 154 5.883 3.439 -0.763 1.00 0.00 C ATOM 177 CG ARG A 154 5.098 4.721 -0.482 1.00 0.00 C ATOM 178 CD ARG A 154 5.447 5.811 -1.498 1.00 0.00 C ATOM 179 NE ARG A 154 6.265 6.862 -0.852 1.00 0.00 N ATOM 180 CZ ARG A 154 6.942 7.815 -1.527 1.00 0.00 C ATOM 181 NH1 ARG A 154 6.904 7.858 -2.875 1.00 0.00 N ATOM 182 NH2 ARG A 154 7.642 8.705 -0.847 1.00 0.00 N ATOM 0 H ARG A 154 5.328 1.009 0.552 1.00 0.00 H new ATOM 0 HA ARG A 154 4.024 2.671 -1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 154 6.501 3.191 0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 154 6.558 3.599 -1.604 1.00 0.00 H new ATOM 0 HG2 ARG A 154 4.029 4.513 -0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 154 5.319 5.074 0.525 1.00 0.00 H new ATOM 0 HD2 ARG A 154 5.993 5.377 -2.336 1.00 0.00 H new ATOM 0 HD3 ARG A 154 4.534 6.247 -1.904 1.00 0.00 H new ATOM 0 HE ARG A 154 6.321 6.866 0.166 1.00 0.00 H new ATOM 0 HH11 ARG A 154 6.361 7.167 -3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 154 7.419 8.582 -3.377 1.00 0.00 H new ATOM 0 HH21 ARG A 154 7.665 8.665 0.172 1.00 0.00 H new ATOM 0 HH22 ARG A 154 8.160 9.432 -1.341 1.00 0.00 H new ATOM 195 N VAL A 155 4.791 0.566 -2.766 1.00 0.00 N ATOM 196 CA VAL A 155 5.295 -0.381 -3.745 1.00 0.00 C ATOM 197 C VAL A 155 5.231 0.249 -5.138 1.00 0.00 C ATOM 198 O VAL A 155 4.813 1.396 -5.285 1.00 0.00 O ATOM 199 CB VAL A 155 4.520 -1.697 -3.649 1.00 0.00 C ATOM 200 CG1 VAL A 155 3.908 -1.872 -2.258 1.00 0.00 C ATOM 201 CG2 VAL A 155 3.446 -1.782 -4.735 1.00 0.00 C ATOM 0 H VAL A 155 3.775 0.586 -2.675 1.00 0.00 H new ATOM 0 HA VAL A 155 6.339 -0.619 -3.543 1.00 0.00 H new ATOM 0 HB VAL A 155 5.224 -2.513 -3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 155 3.363 -2.815 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 155 4.701 -1.878 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 155 3.224 -1.048 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 155 2.910 -2.727 -4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 155 2.745 -0.955 -4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 155 3.916 -1.725 -5.717 1.00 0.00 H new ATOM 211 N ALA A 156 5.652 -0.529 -6.125 1.00 0.00 N ATOM 212 CA ALA A 156 5.648 -0.061 -7.500 1.00 0.00 C ATOM 213 C ALA A 156 5.188 -1.194 -8.419 1.00 0.00 C ATOM 214 O ALA A 156 4.349 -0.986 -9.294 1.00 0.00 O ATOM 215 CB ALA A 156 7.040 0.458 -7.867 1.00 0.00 C ATOM 0 H ALA A 156 5.998 -1.480 -5.999 1.00 0.00 H new ATOM 0 HA ALA A 156 4.949 0.766 -7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 156 7.037 0.809 -8.899 1.00 0.00 H new ATOM 0 HB2 ALA A 156 7.308 1.281 -7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 156 7.768 -0.346 -7.760 1.00 0.00 H new ATOM 221 N ARG A 157 5.756 -2.369 -8.187 1.00 0.00 N ATOM 222 CA ARG A 157 5.414 -3.535 -8.983 1.00 0.00 C ATOM 223 C ARG A 157 4.662 -4.558 -8.129 1.00 0.00 C ATOM 224 O ARG A 157 3.864 -5.338 -8.647 1.00 0.00 O ATOM 225 CB ARG A 157 6.667 -4.191 -9.566 1.00 0.00 C ATOM 226 CG ARG A 157 6.359 -5.596 -10.087 1.00 0.00 C ATOM 227 CD ARG A 157 7.392 -6.034 -11.127 1.00 0.00 C ATOM 228 NE ARG A 157 7.566 -7.503 -11.081 1.00 0.00 N ATOM 229 CZ ARG A 157 6.627 -8.389 -11.475 1.00 0.00 C ATOM 230 NH1 ARG A 157 5.438 -7.961 -11.950 1.00 0.00 N ATOM 231 NH2 ARG A 157 6.889 -9.680 -11.390 1.00 0.00 N ATOM 0 H ARG A 157 6.450 -2.538 -7.459 1.00 0.00 H new ATOM 0 HA ARG A 157 4.777 -3.202 -9.803 1.00 0.00 H new ATOM 0 HB2 ARG A 157 7.060 -3.577 -10.376 1.00 0.00 H new ATOM 0 HB3 ARG A 157 7.443 -4.245 -8.802 1.00 0.00 H new ATOM 0 HG2 ARG A 157 6.352 -6.302 -9.257 1.00 0.00 H new ATOM 0 HG3 ARG A 157 5.363 -5.614 -10.529 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.070 -5.729 -12.123 1.00 0.00 H new ATOM 0 HD3 ARG A 157 8.345 -5.541 -10.935 1.00 0.00 H new ATOM 0 HE ARG A 157 8.451 -7.869 -10.730 1.00 0.00 H new ATOM 0 HH11 ARG A 157 5.244 -6.962 -12.013 1.00 0.00 H new ATOM 0 HH12 ARG A 157 4.734 -8.637 -12.246 1.00 0.00 H new ATOM 0 HH21 ARG A 157 7.790 -9.995 -11.031 1.00 0.00 H new ATOM 0 HH22 ARG A 157 6.190 -10.363 -11.684 1.00 0.00 H new ATOM 244 N GLN A 158 4.942 -4.522 -6.835 1.00 0.00 N ATOM 245 CA GLN A 158 4.302 -5.436 -5.904 1.00 0.00 C ATOM 246 C GLN A 158 2.789 -5.212 -5.896 1.00 0.00 C ATOM 247 O GLN A 158 2.322 -4.094 -6.112 1.00 0.00 O ATOM 248 CB GLN A 158 4.887 -5.285 -4.498 1.00 0.00 C ATOM 249 CG GLN A 158 5.223 -6.651 -3.895 1.00 0.00 C ATOM 250 CD GLN A 158 4.128 -7.108 -2.929 1.00 0.00 C ATOM 251 OE1 GLN A 158 3.107 -6.462 -2.756 1.00 0.00 O ATOM 252 NE2 GLN A 158 4.396 -8.255 -2.312 1.00 0.00 N ATOM 0 H GLN A 158 5.604 -3.874 -6.409 1.00 0.00 H new ATOM 0 HA GLN A 158 4.496 -6.456 -6.235 1.00 0.00 H new ATOM 0 HB2 GLN A 158 5.786 -4.670 -4.538 1.00 0.00 H new ATOM 0 HB3 GLN A 158 4.174 -4.766 -3.857 1.00 0.00 H new ATOM 0 HG2 GLN A 158 5.340 -7.386 -4.692 1.00 0.00 H new ATOM 0 HG3 GLN A 158 6.177 -6.596 -3.370 1.00 0.00 H new ATOM 0 HE21 GLN A 158 5.270 -8.745 -2.503 1.00 0.00 H new ATOM 0 HE22 GLN A 158 3.727 -8.645 -1.648 1.00 0.00 H new ATOM 261 N LEU A 159 2.064 -6.292 -5.644 1.00 0.00 N ATOM 262 CA LEU A 159 0.613 -6.227 -5.604 1.00 0.00 C ATOM 263 C LEU A 159 0.172 -5.544 -4.308 1.00 0.00 C ATOM 264 O LEU A 159 -1.022 -5.386 -4.060 1.00 0.00 O ATOM 265 CB LEU A 159 0.009 -7.619 -5.803 1.00 0.00 C ATOM 266 CG LEU A 159 -0.680 -7.865 -7.146 1.00 0.00 C ATOM 267 CD1 LEU A 159 0.118 -8.854 -7.999 1.00 0.00 C ATOM 268 CD2 LEU A 159 -2.127 -8.320 -6.945 1.00 0.00 C ATOM 269 OXT LEU A 159 1.135 -5.168 -3.535 1.00 0.00 O ATOM 0 H LEU A 159 2.454 -7.217 -5.465 1.00 0.00 H new ATOM 0 HA LEU A 159 0.236 -5.620 -6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.801 -8.358 -5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -0.715 -7.796 -5.008 1.00 0.00 H new ATOM 0 HG LEU A 159 -0.712 -6.922 -7.691 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -0.394 -9.011 -8.948 1.00 0.00 H new ATOM 0 HD12 LEU A 159 1.114 -8.452 -8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 159 0.203 -9.804 -7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -2.594 -8.488 -7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -2.141 -9.246 -6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -2.679 -7.550 -6.405 1.00 0.00 H new TER 282 LEU A 159