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= -0.334 K(o=-0.33,f=-2.2!) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 140 -11.059 1.728 23.055 1.00 0.00 C HETATM 2 O ACE A 140 -10.038 1.884 22.387 1.00 0.00 O HETATM 3 CH3 ACE A 140 -11.791 2.904 23.603 1.00 0.00 C HETATM 0 H1 ACE A 140 -12.807 2.916 23.208 1.00 0.00 H new HETATM 0 H2 ACE A 140 -11.825 2.837 24.690 1.00 0.00 H new HETATM 0 H3 ACE A 140 -11.277 3.820 23.312 1.00 0.00 H new ATOM 7 N GLY A 141 -11.595 0.551 23.344 1.00 0.00 N ATOM 8 CA GLY A 141 -10.988 -0.683 22.874 1.00 0.00 C ATOM 9 C GLY A 141 -11.706 -1.208 21.629 1.00 0.00 C ATOM 10 O GLY A 141 -11.155 -1.172 20.530 1.00 0.00 O ATOM 0 H GLY A 141 -12.443 0.426 23.898 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -9.936 -0.511 22.646 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -11.025 -1.434 23.663 1.00 0.00 H new ATOM 14 N SER A 142 -12.924 -1.683 21.844 1.00 0.00 N ATOM 15 CA SER A 142 -13.723 -2.215 20.753 1.00 0.00 C ATOM 16 C SER A 142 -14.937 -1.317 20.507 1.00 0.00 C ATOM 17 O SER A 142 -16.077 -1.767 20.607 1.00 0.00 O ATOM 18 CB SER A 142 -14.173 -3.647 21.047 1.00 0.00 C ATOM 19 OG SER A 142 -13.105 -4.581 20.914 1.00 0.00 O ATOM 0 H SER A 142 -13.377 -1.711 22.757 1.00 0.00 H new ATOM 0 HA SER A 142 -13.105 -2.234 19.855 1.00 0.00 H new ATOM 0 HB2 SER A 142 -14.577 -3.700 22.058 1.00 0.00 H new ATOM 0 HB3 SER A 142 -14.980 -3.920 20.367 1.00 0.00 H new ATOM 0 HG SER A 142 -13.433 -5.483 21.112 1.00 0.00 H new ATOM 25 N GLY A 143 -14.650 -0.062 20.190 1.00 0.00 N ATOM 26 CA GLY A 143 -15.704 0.903 19.930 1.00 0.00 C ATOM 27 C GLY A 143 -15.143 2.325 19.870 1.00 0.00 C ATOM 28 O GLY A 143 -14.780 2.897 20.896 1.00 0.00 O ATOM 0 H GLY A 143 -13.703 0.308 20.108 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -16.197 0.663 18.988 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -16.461 0.840 20.712 1.00 0.00 H new ATOM 32 N VAL A 144 -15.089 2.855 18.656 1.00 0.00 N ATOM 33 CA VAL A 144 -14.578 4.199 18.449 1.00 0.00 C ATOM 34 C VAL A 144 -14.522 4.493 16.948 1.00 0.00 C ATOM 35 O VAL A 144 -13.784 3.840 16.212 1.00 0.00 O ATOM 36 CB VAL A 144 -13.222 4.356 19.140 1.00 0.00 C ATOM 37 CG1 VAL A 144 -13.379 5.010 20.514 1.00 0.00 C ATOM 38 CG2 VAL A 144 -12.505 3.009 19.252 1.00 0.00 C ATOM 0 H VAL A 144 -15.391 2.378 17.807 1.00 0.00 H new ATOM 0 HA VAL A 144 -15.244 4.934 18.900 1.00 0.00 H new ATOM 0 HB VAL A 144 -12.607 5.013 18.525 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -12.400 5.110 20.983 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -13.828 5.996 20.398 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -14.021 4.390 21.141 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -11.544 3.148 19.747 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -13.116 2.319 19.834 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -12.344 2.599 18.255 1.00 0.00 H new ATOM 48 N ARG A 145 -15.311 5.476 16.541 1.00 0.00 N ATOM 49 CA ARG A 145 -15.360 5.864 15.141 1.00 0.00 C ATOM 50 C ARG A 145 -14.353 6.982 14.865 1.00 0.00 C ATOM 51 O ARG A 145 -14.536 8.112 15.314 1.00 0.00 O ATOM 52 CB ARG A 145 -16.761 6.341 14.751 1.00 0.00 C ATOM 53 CG ARG A 145 -17.040 6.070 13.271 1.00 0.00 C ATOM 54 CD ARG A 145 -17.909 7.174 12.666 1.00 0.00 C ATOM 55 NE ARG A 145 -18.869 6.591 11.703 1.00 0.00 N ATOM 56 CZ ARG A 145 -19.668 7.321 10.895 1.00 0.00 C ATOM 57 NH1 ARG A 145 -19.629 8.670 10.928 1.00 0.00 N ATOM 58 NH2 ARG A 145 -20.489 6.695 10.072 1.00 0.00 N ATOM 0 H ARG A 145 -15.921 6.015 17.155 1.00 0.00 H new ATOM 0 HA ARG A 145 -15.108 4.987 14.544 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -17.506 5.833 15.364 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -16.855 7.408 14.953 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -16.098 6.004 12.726 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -17.540 5.108 13.162 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -18.447 7.699 13.456 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -17.280 7.910 12.165 1.00 0.00 H new ATOM 0 HE ARG A 145 -18.931 5.575 11.646 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -18.992 9.146 11.567 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -20.236 9.213 10.314 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -20.513 5.675 10.053 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -21.099 7.231 9.455 1.00 0.00 H new ATOM 71 N GLY A 146 -13.312 6.627 14.126 1.00 0.00 N ATOM 72 CA GLY A 146 -12.275 7.587 13.784 1.00 0.00 C ATOM 73 C GLY A 146 -12.392 8.023 12.323 1.00 0.00 C ATOM 74 O GLY A 146 -12.814 7.243 11.470 1.00 0.00 O ATOM 0 H GLY A 146 -13.164 5.689 13.755 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -12.352 8.458 14.434 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -11.294 7.145 13.958 1.00 0.00 H new ATOM 78 N ASP A 147 -12.012 9.268 12.078 1.00 0.00 N ATOM 79 CA ASP A 147 -12.069 9.818 10.734 1.00 0.00 C ATOM 80 C ASP A 147 -10.812 9.406 9.965 1.00 0.00 C ATOM 81 O ASP A 147 -10.903 8.811 8.892 1.00 0.00 O ATOM 82 CB ASP A 147 -12.123 11.347 10.766 1.00 0.00 C ATOM 83 CG ASP A 147 -13.026 11.939 11.850 1.00 0.00 C ATOM 84 OD1 ASP A 147 -12.562 12.296 12.943 1.00 0.00 O ATOM 85 OD2 ASP A 147 -14.273 12.029 11.531 1.00 0.00 O ATOM 0 H ASP A 147 -11.663 9.912 12.788 1.00 0.00 H new ATOM 0 HA ASP A 147 -12.968 9.435 10.251 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -11.112 11.728 10.908 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -12.465 11.704 9.794 1.00 0.00 H new ATOM 91 N PHE A 148 -9.667 9.738 10.544 1.00 0.00 N ATOM 92 CA PHE A 148 -8.394 9.410 9.926 1.00 0.00 C ATOM 93 C PHE A 148 -8.376 7.958 9.444 1.00 0.00 C ATOM 94 O PHE A 148 -9.301 7.197 9.723 1.00 0.00 O ATOM 95 CB PHE A 148 -7.317 9.592 10.998 1.00 0.00 C ATOM 96 CG PHE A 148 -7.200 8.416 11.969 1.00 0.00 C ATOM 97 CD1 PHE A 148 -8.198 8.168 12.860 1.00 0.00 C ATOM 98 CD2 PHE A 148 -6.099 7.618 11.942 1.00 0.00 C ATOM 99 CE1 PHE A 148 -8.089 7.076 13.761 1.00 0.00 C ATOM 100 CE2 PHE A 148 -5.991 6.526 12.843 1.00 0.00 C ATOM 101 CZ PHE A 148 -6.988 6.278 13.734 1.00 0.00 C ATOM 0 H PHE A 148 -9.595 10.231 11.434 1.00 0.00 H new ATOM 0 HA PHE A 148 -8.223 10.053 9.063 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -6.355 9.743 10.509 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -7.533 10.498 11.565 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -9.073 8.801 12.882 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -5.307 7.815 11.235 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -8.881 6.879 14.468 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -5.117 5.892 12.821 1.00 0.00 H new ATOM 0 HZ PHE A 148 -6.906 5.448 14.420 1.00 0.00 H new ATOM 111 N GLY A 149 -7.314 7.618 8.729 1.00 0.00 N ATOM 112 CA GLY A 149 -7.163 6.271 8.206 1.00 0.00 C ATOM 113 C GLY A 149 -5.872 5.626 8.714 1.00 0.00 C ATOM 114 O GLY A 149 -5.676 5.488 9.920 1.00 0.00 O ATOM 0 H GLY A 149 -6.549 8.253 8.499 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -8.018 5.664 8.503 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -7.155 6.299 7.116 1.00 0.00 H new ATOM 118 N SER A 150 -5.025 5.248 7.767 1.00 0.00 N ATOM 119 CA SER A 150 -3.759 4.621 8.104 1.00 0.00 C ATOM 120 C SER A 150 -2.776 4.770 6.941 1.00 0.00 C ATOM 121 O SER A 150 -3.178 5.070 5.818 1.00 0.00 O ATOM 122 CB SER A 150 -3.950 3.144 8.451 1.00 0.00 C ATOM 123 OG SER A 150 -4.553 2.418 7.382 1.00 0.00 O ATOM 0 H SER A 150 -5.191 5.364 6.767 1.00 0.00 H new ATOM 0 HA SER A 150 -3.353 5.122 8.982 1.00 0.00 H new ATOM 0 HB2 SER A 150 -2.984 2.700 8.691 1.00 0.00 H new ATOM 0 HB3 SER A 150 -4.571 3.058 9.343 1.00 0.00 H new ATOM 0 HG SER A 150 -4.656 1.479 7.642 1.00 0.00 H new ATOM 129 N LEU A 151 -1.505 4.554 7.250 1.00 0.00 N ATOM 130 CA LEU A 151 -0.462 4.660 6.244 1.00 0.00 C ATOM 131 C LEU A 151 -0.114 3.263 5.728 1.00 0.00 C ATOM 132 O LEU A 151 -0.194 2.285 6.469 1.00 0.00 O ATOM 133 CB LEU A 151 0.740 5.429 6.798 1.00 0.00 C ATOM 134 CG LEU A 151 0.709 6.947 6.611 1.00 0.00 C ATOM 135 CD1 LEU A 151 0.365 7.654 7.923 1.00 0.00 C ATOM 136 CD2 LEU A 151 2.025 7.452 6.016 1.00 0.00 C ATOM 0 H LEU A 151 -1.175 4.306 8.183 1.00 0.00 H new ATOM 0 HA LEU A 151 -0.814 5.237 5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 151 0.823 5.216 7.864 1.00 0.00 H new ATOM 0 HB3 LEU A 151 1.643 5.043 6.325 1.00 0.00 H new ATOM 0 HG LEU A 151 -0.080 7.188 5.899 1.00 0.00 H new ATOM 0 HD11 LEU A 151 0.350 8.732 7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -0.615 7.324 8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 151 1.115 7.410 8.675 1.00 0.00 H new ATOM 0 HD21 LEU A 151 1.977 8.534 5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 151 2.848 7.199 6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 151 2.189 6.983 5.046 1.00 0.00 H new ATOM 148 N ALA A 152 0.266 3.214 4.459 1.00 0.00 N ATOM 149 CA ALA A 152 0.627 1.953 3.834 1.00 0.00 C ATOM 150 C ALA A 152 2.030 2.069 3.235 1.00 0.00 C ATOM 151 O ALA A 152 2.661 3.120 3.323 1.00 0.00 O ATOM 152 CB ALA A 152 -0.426 1.582 2.788 1.00 0.00 C ATOM 0 H ALA A 152 0.332 4.027 3.847 1.00 0.00 H new ATOM 0 HA ALA A 152 0.650 1.151 4.572 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -0.155 0.636 2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -1.399 1.483 3.270 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -0.475 2.362 2.029 1.00 0.00 H new ATOM 158 N PRO A 153 2.488 0.944 2.623 1.00 0.00 N ATOM 159 CA PRO A 153 3.804 0.910 2.009 1.00 0.00 C ATOM 160 C PRO A 153 3.812 1.675 0.684 1.00 0.00 C ATOM 161 O PRO A 153 2.795 2.241 0.284 1.00 0.00 O ATOM 162 CB PRO A 153 4.122 -0.567 1.843 1.00 0.00 C ATOM 163 CG PRO A 153 2.791 -1.294 1.938 1.00 0.00 C ATOM 164 CD PRO A 153 1.767 -0.320 2.499 1.00 0.00 C ATOM 0 HA PRO A 153 4.564 1.403 2.616 1.00 0.00 H new ATOM 0 HB2 PRO A 153 4.603 -0.757 0.884 1.00 0.00 H new ATOM 0 HB3 PRO A 153 4.809 -0.908 2.617 1.00 0.00 H new ATOM 0 HG2 PRO A 153 2.480 -1.651 0.956 1.00 0.00 H new ATOM 0 HG3 PRO A 153 2.879 -2.169 2.582 1.00 0.00 H new ATOM 0 HD2 PRO A 153 0.908 -0.223 1.835 1.00 0.00 H new ATOM 0 HD3 PRO A 153 1.388 -0.656 3.464 1.00 0.00 H new ATOM 172 N ARG A 154 4.970 1.669 0.040 1.00 0.00 N ATOM 173 CA ARG A 154 5.123 2.356 -1.231 1.00 0.00 C ATOM 174 C ARG A 154 5.745 1.419 -2.269 1.00 0.00 C ATOM 175 O ARG A 154 6.935 1.517 -2.564 1.00 0.00 O ATOM 176 CB ARG A 154 6.003 3.598 -1.083 1.00 0.00 C ATOM 177 CG ARG A 154 5.627 4.663 -2.116 1.00 0.00 C ATOM 178 CD ARG A 154 6.660 4.721 -3.243 1.00 0.00 C ATOM 179 NE ARG A 154 6.028 4.349 -4.529 1.00 0.00 N ATOM 180 CZ ARG A 154 6.482 4.743 -5.738 1.00 0.00 C ATOM 181 NH1 ARG A 154 7.577 5.527 -5.836 1.00 0.00 N ATOM 182 NH2 ARG A 154 5.839 4.350 -6.822 1.00 0.00 N ATOM 0 H ARG A 154 5.811 1.199 0.375 1.00 0.00 H new ATOM 0 HA ARG A 154 4.132 2.665 -1.563 1.00 0.00 H new ATOM 0 HB2 ARG A 154 5.895 4.007 -0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 154 7.051 3.322 -1.204 1.00 0.00 H new ATOM 0 HG2 ARG A 154 4.643 4.442 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 154 5.557 5.637 -1.631 1.00 0.00 H new ATOM 0 HD2 ARG A 154 7.080 5.725 -3.312 1.00 0.00 H new ATOM 0 HD3 ARG A 154 7.486 4.044 -3.025 1.00 0.00 H new ATOM 0 HE ARG A 154 5.197 3.758 -4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 154 8.067 5.826 -4.993 1.00 0.00 H new ATOM 0 HH12 ARG A 154 7.914 5.820 -6.753 1.00 0.00 H new ATOM 0 HH21 ARG A 154 5.013 3.758 -6.738 1.00 0.00 H new ATOM 0 HH22 ARG A 154 6.168 4.639 -7.743 1.00 0.00 H new ATOM 195 N VAL A 155 4.912 0.533 -2.794 1.00 0.00 N ATOM 196 CA VAL A 155 5.365 -0.420 -3.793 1.00 0.00 C ATOM 197 C VAL A 155 5.232 0.203 -5.184 1.00 0.00 C ATOM 198 O VAL A 155 4.808 1.350 -5.316 1.00 0.00 O ATOM 199 CB VAL A 155 4.595 -1.734 -3.650 1.00 0.00 C ATOM 200 CG1 VAL A 155 4.053 -1.901 -2.228 1.00 0.00 C ATOM 201 CG2 VAL A 155 3.467 -1.823 -4.680 1.00 0.00 C ATOM 0 H VAL A 155 3.926 0.455 -2.546 1.00 0.00 H new ATOM 0 HA VAL A 155 6.418 -0.658 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 155 5.290 -2.552 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 155 3.510 -2.843 -2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 155 4.882 -1.904 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 155 3.380 -1.075 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 155 2.935 -2.767 -4.557 1.00 0.00 H new ATOM 0 HG22 VAL A 155 2.774 -0.994 -4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 155 3.887 -1.772 -5.685 1.00 0.00 H new ATOM 211 N ALA A 156 5.602 -0.581 -6.186 1.00 0.00 N ATOM 212 CA ALA A 156 5.529 -0.121 -7.562 1.00 0.00 C ATOM 213 C ALA A 156 5.022 -1.259 -8.450 1.00 0.00 C ATOM 214 O ALA A 156 4.141 -1.055 -9.284 1.00 0.00 O ATOM 215 CB ALA A 156 6.901 0.395 -8.001 1.00 0.00 C ATOM 0 H ALA A 156 5.953 -1.532 -6.072 1.00 0.00 H new ATOM 0 HA ALA A 156 4.825 0.706 -7.653 1.00 0.00 H new ATOM 0 HB1 ALA A 156 6.847 0.740 -9.033 1.00 0.00 H new ATOM 0 HB2 ALA A 156 7.202 1.222 -7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 156 7.633 -0.409 -7.925 1.00 0.00 H new ATOM 221 N ARG A 157 5.600 -2.433 -8.241 1.00 0.00 N ATOM 222 CA ARG A 157 5.218 -3.603 -9.012 1.00 0.00 C ATOM 223 C ARG A 157 4.399 -4.564 -8.147 1.00 0.00 C ATOM 224 O ARG A 157 3.575 -5.319 -8.662 1.00 0.00 O ATOM 225 CB ARG A 157 6.449 -4.335 -9.549 1.00 0.00 C ATOM 226 CG ARG A 157 6.083 -5.738 -10.038 1.00 0.00 C ATOM 227 CD ARG A 157 5.080 -5.672 -11.191 1.00 0.00 C ATOM 228 NE ARG A 157 5.702 -6.180 -12.434 1.00 0.00 N ATOM 229 CZ ARG A 157 5.165 -6.034 -13.664 1.00 0.00 C ATOM 230 NH1 ARG A 157 3.988 -5.392 -13.826 1.00 0.00 N ATOM 231 NH2 ARG A 157 5.808 -6.528 -14.706 1.00 0.00 N ATOM 0 H ARG A 157 6.330 -2.599 -7.548 1.00 0.00 H new ATOM 0 HA ARG A 157 4.616 -3.263 -9.854 1.00 0.00 H new ATOM 0 HB2 ARG A 157 6.888 -3.764 -10.367 1.00 0.00 H new ATOM 0 HB3 ARG A 157 7.205 -4.404 -8.767 1.00 0.00 H new ATOM 0 HG2 ARG A 157 6.983 -6.260 -10.363 1.00 0.00 H new ATOM 0 HG3 ARG A 157 5.660 -6.315 -9.216 1.00 0.00 H new ATOM 0 HD2 ARG A 157 4.196 -6.263 -10.949 1.00 0.00 H new ATOM 0 HD3 ARG A 157 4.747 -4.644 -11.335 1.00 0.00 H new ATOM 0 HE ARG A 157 6.592 -6.671 -12.357 1.00 0.00 H new ATOM 0 HH11 ARG A 157 3.498 -5.013 -13.016 1.00 0.00 H new ATOM 0 HH12 ARG A 157 3.589 -5.286 -14.759 1.00 0.00 H new ATOM 0 HH21 ARG A 157 6.697 -7.011 -14.575 1.00 0.00 H new ATOM 0 HH22 ARG A 157 5.416 -6.426 -15.642 1.00 0.00 H new ATOM 244 N GLN A 158 4.654 -4.504 -6.848 1.00 0.00 N ATOM 245 CA GLN A 158 3.950 -5.359 -5.908 1.00 0.00 C ATOM 246 C GLN A 158 2.498 -4.902 -5.758 1.00 0.00 C ATOM 247 O GLN A 158 2.144 -3.801 -6.177 1.00 0.00 O ATOM 248 CB GLN A 158 4.659 -5.384 -4.552 1.00 0.00 C ATOM 249 CG GLN A 158 5.075 -6.808 -4.177 1.00 0.00 C ATOM 250 CD GLN A 158 4.096 -7.417 -3.171 1.00 0.00 C ATOM 251 OE1 GLN A 158 3.367 -6.727 -2.479 1.00 0.00 O ATOM 252 NE2 GLN A 158 4.119 -8.747 -3.131 1.00 0.00 N ATOM 0 H GLN A 158 5.338 -3.877 -6.425 1.00 0.00 H new ATOM 0 HA GLN A 158 3.952 -6.376 -6.301 1.00 0.00 H new ATOM 0 HB2 GLN A 158 5.539 -4.741 -4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 158 3.998 -4.980 -3.785 1.00 0.00 H new ATOM 0 HG2 GLN A 158 5.114 -7.427 -5.073 1.00 0.00 H new ATOM 0 HG3 GLN A 158 6.079 -6.798 -3.753 1.00 0.00 H new ATOM 0 HE21 GLN A 158 4.754 -9.265 -3.738 1.00 0.00 H new ATOM 0 HE22 GLN A 158 3.501 -9.249 -2.493 1.00 0.00 H new ATOM 261 N LEU A 159 1.696 -5.770 -5.160 1.00 0.00 N ATOM 262 CA LEU A 159 0.290 -5.469 -4.950 1.00 0.00 C ATOM 263 C LEU A 159 0.091 -4.953 -3.523 1.00 0.00 C ATOM 264 O LEU A 159 -1.025 -4.614 -3.132 1.00 0.00 O ATOM 265 CB LEU A 159 -0.575 -6.684 -5.290 1.00 0.00 C ATOM 266 CG LEU A 159 -0.792 -6.957 -6.780 1.00 0.00 C ATOM 267 CD1 LEU A 159 -0.399 -8.392 -7.137 1.00 0.00 C ATOM 268 CD2 LEU A 159 -2.230 -6.637 -7.193 1.00 0.00 C ATOM 269 OXT LEU A 159 1.161 -4.911 -2.804 1.00 0.00 O ATOM 0 H LEU A 159 1.993 -6.682 -4.814 1.00 0.00 H new ATOM 0 HA LEU A 159 -0.035 -4.677 -5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -0.119 -7.567 -4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -1.549 -6.555 -4.819 1.00 0.00 H new ATOM 0 HG LEU A 159 -0.139 -6.293 -7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -0.563 -8.560 -8.201 1.00 0.00 H new ATOM 0 HD12 LEU A 159 0.654 -8.550 -6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -1.008 -9.090 -6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -2.357 -6.840 -8.256 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -2.920 -7.257 -6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -2.439 -5.585 -6.997 1.00 0.00 H new TER 282 LEU A 159