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= -0.845 K(o=-0.85,f=-2.8!) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 140 -21.874 1.290 17.536 1.00 0.00 C HETATM 2 O ACE A 140 -22.595 2.234 17.854 1.00 0.00 O HETATM 3 CH3 ACE A 140 -22.327 0.303 16.515 1.00 0.00 C HETATM 0 H1 ACE A 140 -21.630 0.301 15.677 1.00 0.00 H new HETATM 0 H2 ACE A 140 -22.362 -0.691 16.961 1.00 0.00 H new HETATM 0 H3 ACE A 140 -23.320 0.577 16.160 1.00 0.00 H new ATOM 7 N GLY A 141 -20.672 1.059 18.044 1.00 0.00 N ATOM 8 CA GLY A 141 -20.103 1.939 19.050 1.00 0.00 C ATOM 9 C GLY A 141 -19.915 3.353 18.497 1.00 0.00 C ATOM 10 O GLY A 141 -19.964 3.562 17.286 1.00 0.00 O ATOM 0 H GLY A 141 -20.077 0.275 17.777 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -20.755 1.970 19.923 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -19.143 1.544 19.383 1.00 0.00 H new ATOM 14 N SER A 142 -19.704 4.288 19.412 1.00 0.00 N ATOM 15 CA SER A 142 -19.509 5.677 19.032 1.00 0.00 C ATOM 16 C SER A 142 -18.245 6.229 19.695 1.00 0.00 C ATOM 17 O SER A 142 -17.640 5.564 20.535 1.00 0.00 O ATOM 18 CB SER A 142 -20.722 6.528 19.411 1.00 0.00 C ATOM 19 OG SER A 142 -21.415 7.011 18.264 1.00 0.00 O ATOM 0 H SER A 142 -19.664 4.111 20.416 1.00 0.00 H new ATOM 0 HA SER A 142 -19.393 5.721 17.949 1.00 0.00 H new ATOM 0 HB2 SER A 142 -21.403 5.936 20.023 1.00 0.00 H new ATOM 0 HB3 SER A 142 -20.397 7.372 20.020 1.00 0.00 H new ATOM 0 HG SER A 142 -22.184 7.548 18.548 1.00 0.00 H new ATOM 25 N GLY A 143 -17.884 7.439 19.294 1.00 0.00 N ATOM 26 CA GLY A 143 -16.704 8.087 19.839 1.00 0.00 C ATOM 27 C GLY A 143 -16.153 9.131 18.865 1.00 0.00 C ATOM 28 O GLY A 143 -16.701 10.225 18.747 1.00 0.00 O ATOM 0 H GLY A 143 -18.388 7.988 18.598 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -16.952 8.564 20.787 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -15.938 7.340 20.049 1.00 0.00 H new ATOM 32 N VAL A 144 -15.075 8.755 18.193 1.00 0.00 N ATOM 33 CA VAL A 144 -14.443 9.645 17.234 1.00 0.00 C ATOM 34 C VAL A 144 -13.161 8.996 16.710 1.00 0.00 C ATOM 35 O VAL A 144 -12.224 8.761 17.471 1.00 0.00 O ATOM 36 CB VAL A 144 -14.203 11.015 17.871 1.00 0.00 C ATOM 37 CG1 VAL A 144 -15.322 11.993 17.508 1.00 0.00 C ATOM 38 CG2 VAL A 144 -14.050 10.895 19.388 1.00 0.00 C ATOM 0 H VAL A 144 -14.623 7.846 18.294 1.00 0.00 H new ATOM 0 HA VAL A 144 -15.097 9.810 16.378 1.00 0.00 H new ATOM 0 HB VAL A 144 -13.270 11.411 17.471 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -15.126 12.959 17.974 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -15.363 12.114 16.425 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -16.275 11.604 17.866 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -13.880 11.883 19.816 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -14.958 10.467 19.813 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -13.202 10.250 19.618 1.00 0.00 H new ATOM 48 N ARG A 145 -13.160 8.724 15.413 1.00 0.00 N ATOM 49 CA ARG A 145 -12.008 8.107 14.778 1.00 0.00 C ATOM 50 C ARG A 145 -11.329 9.099 13.832 1.00 0.00 C ATOM 51 O ARG A 145 -11.978 9.995 13.295 1.00 0.00 O ATOM 52 CB ARG A 145 -12.416 6.859 13.992 1.00 0.00 C ATOM 53 CG ARG A 145 -12.021 5.585 14.741 1.00 0.00 C ATOM 54 CD ARG A 145 -12.926 4.416 14.350 1.00 0.00 C ATOM 55 NE ARG A 145 -13.272 3.621 15.550 1.00 0.00 N ATOM 56 CZ ARG A 145 -12.523 2.603 16.025 1.00 0.00 C ATOM 57 NH1 ARG A 145 -11.378 2.247 15.405 1.00 0.00 N ATOM 58 NH2 ARG A 145 -12.928 1.961 17.105 1.00 0.00 N ATOM 0 H ARG A 145 -13.939 8.920 14.785 1.00 0.00 H new ATOM 0 HA ARG A 145 -11.312 7.816 15.564 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -13.493 6.867 13.824 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -11.940 6.871 13.011 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -10.983 5.336 14.520 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -12.086 5.756 15.816 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -13.834 4.790 13.877 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -12.423 3.785 13.618 1.00 0.00 H new ATOM 0 HE ARG A 145 -14.130 3.857 16.049 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -11.073 2.748 14.571 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -10.818 1.477 15.771 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -13.795 2.236 17.567 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -12.374 1.190 17.477 1.00 0.00 H new ATOM 71 N GLY A 146 -10.030 8.905 13.655 1.00 0.00 N ATOM 72 CA GLY A 146 -9.255 9.771 12.783 1.00 0.00 C ATOM 73 C GLY A 146 -9.758 9.687 11.340 1.00 0.00 C ATOM 74 O GLY A 146 -10.330 8.676 10.937 1.00 0.00 O ATOM 0 H GLY A 146 -9.495 8.160 14.101 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -9.320 10.800 13.135 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -8.204 9.486 12.823 1.00 0.00 H new ATOM 78 N ASP A 147 -9.525 10.762 10.603 1.00 0.00 N ATOM 79 CA ASP A 147 -9.947 10.823 9.214 1.00 0.00 C ATOM 80 C ASP A 147 -9.532 9.533 8.503 1.00 0.00 C ATOM 81 O ASP A 147 -8.644 8.821 8.968 1.00 0.00 O ATOM 82 CB ASP A 147 -9.285 11.996 8.488 1.00 0.00 C ATOM 83 CG ASP A 147 -7.760 12.046 8.596 1.00 0.00 C ATOM 84 OD1 ASP A 147 -7.086 11.005 8.614 1.00 0.00 O ATOM 85 OD2 ASP A 147 -7.257 13.232 8.664 1.00 0.00 O ATOM 0 H ASP A 147 -9.049 11.598 10.941 1.00 0.00 H new ATOM 0 HA ASP A 147 -11.029 10.952 9.196 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -9.558 11.952 7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -9.693 12.926 8.884 1.00 0.00 H new ATOM 91 N PHE A 148 -10.196 9.271 7.386 1.00 0.00 N ATOM 92 CA PHE A 148 -9.907 8.079 6.606 1.00 0.00 C ATOM 93 C PHE A 148 -8.500 8.142 6.010 1.00 0.00 C ATOM 94 O PHE A 148 -7.922 9.220 5.886 1.00 0.00 O ATOM 95 CB PHE A 148 -10.929 8.031 5.469 1.00 0.00 C ATOM 96 CG PHE A 148 -10.604 8.963 4.300 1.00 0.00 C ATOM 97 CD1 PHE A 148 -9.815 8.527 3.281 1.00 0.00 C ATOM 98 CD2 PHE A 148 -11.102 10.228 4.280 1.00 0.00 C ATOM 99 CE1 PHE A 148 -9.513 9.392 2.196 1.00 0.00 C ATOM 100 CE2 PHE A 148 -10.800 11.094 3.195 1.00 0.00 C ATOM 101 CZ PHE A 148 -10.011 10.657 2.176 1.00 0.00 C ATOM 0 H PHE A 148 -10.933 9.863 7.003 1.00 0.00 H new ATOM 0 HA PHE A 148 -9.963 7.195 7.241 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -10.996 7.009 5.097 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -11.911 8.291 5.865 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -9.418 7.523 3.297 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -11.727 10.575 5.089 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -8.888 9.045 1.387 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -11.196 12.099 3.179 1.00 0.00 H new ATOM 0 HZ PHE A 148 -9.780 11.315 1.351 1.00 0.00 H new ATOM 111 N GLY A 149 -7.989 6.972 5.656 1.00 0.00 N ATOM 112 CA GLY A 149 -6.661 6.880 5.075 1.00 0.00 C ATOM 113 C GLY A 149 -5.758 5.971 5.912 1.00 0.00 C ATOM 114 O GLY A 149 -5.537 6.230 7.094 1.00 0.00 O ATOM 0 H GLY A 149 -8.471 6.079 5.761 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -6.731 6.493 4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -6.220 7.874 5.008 1.00 0.00 H new ATOM 118 N SER A 150 -5.261 4.927 5.266 1.00 0.00 N ATOM 119 CA SER A 150 -4.387 3.979 5.937 1.00 0.00 C ATOM 120 C SER A 150 -2.941 4.189 5.484 1.00 0.00 C ATOM 121 O SER A 150 -2.695 4.798 4.444 1.00 0.00 O ATOM 122 CB SER A 150 -4.825 2.538 5.664 1.00 0.00 C ATOM 123 OG SER A 150 -5.499 1.964 6.780 1.00 0.00 O ATOM 0 H SER A 150 -5.446 4.716 4.285 1.00 0.00 H new ATOM 0 HA SER A 150 -4.453 4.153 7.011 1.00 0.00 H new ATOM 0 HB2 SER A 150 -5.482 2.517 4.794 1.00 0.00 H new ATOM 0 HB3 SER A 150 -3.952 1.934 5.418 1.00 0.00 H new ATOM 0 HG SER A 150 -5.764 1.045 6.565 1.00 0.00 H new ATOM 129 N LEU A 151 -2.022 3.674 6.287 1.00 0.00 N ATOM 130 CA LEU A 151 -0.607 3.798 5.982 1.00 0.00 C ATOM 131 C LEU A 151 -0.096 2.476 5.406 1.00 0.00 C ATOM 132 O LEU A 151 -0.667 1.419 5.669 1.00 0.00 O ATOM 133 CB LEU A 151 0.167 4.272 7.214 1.00 0.00 C ATOM 134 CG LEU A 151 0.563 3.186 8.216 1.00 0.00 C ATOM 135 CD1 LEU A 151 2.072 3.201 8.473 1.00 0.00 C ATOM 136 CD2 LEU A 151 -0.240 3.317 9.512 1.00 0.00 C ATOM 0 H LEU A 151 -2.230 3.170 7.149 1.00 0.00 H new ATOM 0 HA LEU A 151 -0.447 4.561 5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 151 1.073 4.776 6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -0.437 5.016 7.734 1.00 0.00 H new ATOM 0 HG LEU A 151 0.320 2.216 7.783 1.00 0.00 H new ATOM 0 HD11 LEU A 151 2.327 2.419 9.189 1.00 0.00 H new ATOM 0 HD12 LEU A 151 2.602 3.023 7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 151 2.363 4.171 8.876 1.00 0.00 H new ATOM 0 HD21 LEU A 151 0.061 2.533 10.207 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -0.050 4.292 9.961 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -1.303 3.219 9.293 1.00 0.00 H new ATOM 148 N ALA A 152 0.974 2.579 4.631 1.00 0.00 N ATOM 149 CA ALA A 152 1.568 1.405 4.016 1.00 0.00 C ATOM 150 C ALA A 152 2.914 1.785 3.396 1.00 0.00 C ATOM 151 O ALA A 152 3.328 2.941 3.464 1.00 0.00 O ATOM 152 CB ALA A 152 0.597 0.820 2.988 1.00 0.00 C ATOM 0 H ALA A 152 1.445 3.458 4.415 1.00 0.00 H new ATOM 0 HA ALA A 152 1.755 0.634 4.763 1.00 0.00 H new ATOM 0 HB1 ALA A 152 1.043 -0.061 2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -0.332 0.539 3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 152 0.388 1.565 2.220 1.00 0.00 H new ATOM 158 N PRO A 153 3.577 0.763 2.790 1.00 0.00 N ATOM 159 CA PRO A 153 4.868 0.979 2.159 1.00 0.00 C ATOM 160 C PRO A 153 4.710 1.713 0.826 1.00 0.00 C ATOM 161 O PRO A 153 3.600 2.077 0.441 1.00 0.00 O ATOM 162 CB PRO A 153 5.467 -0.409 2.005 1.00 0.00 C ATOM 163 CG PRO A 153 4.305 -1.381 2.127 1.00 0.00 C ATOM 164 CD PRO A 153 3.117 -0.619 2.691 1.00 0.00 C ATOM 0 HA PRO A 153 5.524 1.618 2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 153 5.965 -0.515 1.041 1.00 0.00 H new ATOM 0 HB3 PRO A 153 6.217 -0.598 2.773 1.00 0.00 H new ATOM 0 HG2 PRO A 153 4.059 -1.806 1.154 1.00 0.00 H new ATOM 0 HG3 PRO A 153 4.570 -2.213 2.780 1.00 0.00 H new ATOM 0 HD2 PRO A 153 2.248 -0.701 2.039 1.00 0.00 H new ATOM 0 HD3 PRO A 153 2.822 -1.009 3.665 1.00 0.00 H new ATOM 172 N ARG A 154 5.837 1.909 0.158 1.00 0.00 N ATOM 173 CA ARG A 154 5.838 2.593 -1.124 1.00 0.00 C ATOM 174 C ARG A 154 6.182 1.613 -2.248 1.00 0.00 C ATOM 175 O ARG A 154 7.267 1.679 -2.823 1.00 0.00 O ATOM 176 CB ARG A 154 6.847 3.743 -1.134 1.00 0.00 C ATOM 177 CG ARG A 154 8.272 3.225 -0.933 1.00 0.00 C ATOM 178 CD ARG A 154 8.998 4.023 0.152 1.00 0.00 C ATOM 179 NE ARG A 154 10.389 3.537 0.293 1.00 0.00 N ATOM 180 CZ ARG A 154 11.237 3.939 1.263 1.00 0.00 C ATOM 181 NH1 ARG A 154 10.842 4.839 2.189 1.00 0.00 N ATOM 182 NH2 ARG A 154 12.458 3.439 1.294 1.00 0.00 N ATOM 0 H ARG A 154 6.756 1.606 0.480 1.00 0.00 H new ATOM 0 HA ARG A 154 4.839 2.999 -1.284 1.00 0.00 H new ATOM 0 HB2 ARG A 154 6.782 4.280 -2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 154 6.600 4.454 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 154 8.244 2.171 -0.657 1.00 0.00 H new ATOM 0 HG3 ARG A 154 8.823 3.294 -1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 154 8.998 5.083 -0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 154 8.472 3.924 1.101 1.00 0.00 H new ATOM 0 HE ARG A 154 10.728 2.855 -0.386 1.00 0.00 H new ATOM 0 HH11 ARG A 154 9.896 5.220 2.159 1.00 0.00 H new ATOM 0 HH12 ARG A 154 11.489 5.137 2.919 1.00 0.00 H new ATOM 0 HH21 ARG A 154 12.749 2.759 0.591 1.00 0.00 H new ATOM 0 HH22 ARG A 154 13.111 3.732 2.021 1.00 0.00 H new ATOM 195 N VAL A 155 5.237 0.728 -2.528 1.00 0.00 N ATOM 196 CA VAL A 155 5.426 -0.264 -3.573 1.00 0.00 C ATOM 197 C VAL A 155 5.032 0.342 -4.922 1.00 0.00 C ATOM 198 O VAL A 155 4.643 1.506 -4.994 1.00 0.00 O ATOM 199 CB VAL A 155 4.643 -1.534 -3.237 1.00 0.00 C ATOM 200 CG1 VAL A 155 4.405 -1.649 -1.729 1.00 0.00 C ATOM 201 CG2 VAL A 155 3.322 -1.584 -4.006 1.00 0.00 C ATOM 0 H VAL A 155 4.338 0.677 -2.049 1.00 0.00 H new ATOM 0 HA VAL A 155 6.475 -0.553 -3.640 1.00 0.00 H new ATOM 0 HB VAL A 155 5.243 -2.389 -3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 155 3.846 -2.561 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 155 5.363 -1.682 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 155 3.836 -0.786 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 155 2.785 -2.497 -3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 155 2.714 -0.719 -3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 155 3.524 -1.572 -5.077 1.00 0.00 H new ATOM 211 N ALA A 156 5.146 -0.477 -5.958 1.00 0.00 N ATOM 212 CA ALA A 156 4.807 -0.037 -7.300 1.00 0.00 C ATOM 213 C ALA A 156 4.071 -1.162 -8.031 1.00 0.00 C ATOM 214 O ALA A 156 3.045 -0.928 -8.666 1.00 0.00 O ATOM 215 CB ALA A 156 6.078 0.400 -8.031 1.00 0.00 C ATOM 0 H ALA A 156 5.468 -1.443 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 156 4.140 0.824 -7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 156 5.823 0.730 -9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 156 6.546 1.221 -7.488 1.00 0.00 H new ATOM 0 HB3 ALA A 156 6.771 -0.439 -8.089 1.00 0.00 H new ATOM 221 N ARG A 157 4.626 -2.360 -7.915 1.00 0.00 N ATOM 222 CA ARG A 157 4.036 -3.522 -8.557 1.00 0.00 C ATOM 223 C ARG A 157 3.492 -4.491 -7.504 1.00 0.00 C ATOM 224 O ARG A 157 2.543 -5.228 -7.766 1.00 0.00 O ATOM 225 CB ARG A 157 5.061 -4.251 -9.428 1.00 0.00 C ATOM 226 CG ARG A 157 6.121 -3.281 -9.954 1.00 0.00 C ATOM 227 CD ARG A 157 6.923 -3.911 -11.094 1.00 0.00 C ATOM 228 NE ARG A 157 8.103 -4.621 -10.552 1.00 0.00 N ATOM 229 CZ ARG A 157 9.149 -5.033 -11.300 1.00 0.00 C ATOM 230 NH1 ARG A 157 9.170 -4.808 -12.630 1.00 0.00 N ATOM 231 NH2 ARG A 157 10.150 -5.659 -10.710 1.00 0.00 N ATOM 0 H ARG A 157 5.477 -2.551 -7.386 1.00 0.00 H new ATOM 0 HA ARG A 157 3.221 -3.172 -9.191 1.00 0.00 H new ATOM 0 HB2 ARG A 157 5.540 -5.040 -8.849 1.00 0.00 H new ATOM 0 HB3 ARG A 157 4.556 -4.732 -10.265 1.00 0.00 H new ATOM 0 HG2 ARG A 157 5.641 -2.367 -10.304 1.00 0.00 H new ATOM 0 HG3 ARG A 157 6.794 -2.998 -9.144 1.00 0.00 H new ATOM 0 HD2 ARG A 157 6.294 -4.606 -11.651 1.00 0.00 H new ATOM 0 HD3 ARG A 157 7.243 -3.139 -11.794 1.00 0.00 H new ATOM 0 HE ARG A 157 8.128 -4.811 -9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 157 8.392 -4.323 -13.078 1.00 0.00 H new ATOM 0 HH12 ARG A 157 9.964 -5.122 -13.188 1.00 0.00 H new ATOM 0 HH21 ARG A 157 10.126 -5.825 -9.704 1.00 0.00 H new ATOM 0 HH22 ARG A 157 10.948 -5.977 -11.260 1.00 0.00 H new ATOM 244 N GLN A 158 4.117 -4.457 -6.336 1.00 0.00 N ATOM 245 CA GLN A 158 3.707 -5.322 -5.243 1.00 0.00 C ATOM 246 C GLN A 158 2.613 -4.647 -4.413 1.00 0.00 C ATOM 247 O GLN A 158 2.783 -4.431 -3.215 1.00 0.00 O ATOM 248 CB GLN A 158 4.903 -5.703 -4.368 1.00 0.00 C ATOM 249 CG GLN A 158 4.742 -7.117 -3.805 1.00 0.00 C ATOM 250 CD GLN A 158 4.074 -7.086 -2.429 1.00 0.00 C ATOM 251 OE1 GLN A 158 2.906 -6.765 -2.285 1.00 0.00 O ATOM 252 NE2 GLN A 158 4.878 -7.437 -1.430 1.00 0.00 N ATOM 0 H GLN A 158 4.904 -3.844 -6.123 1.00 0.00 H new ATOM 0 HA GLN A 158 3.300 -6.241 -5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 158 5.820 -5.643 -4.954 1.00 0.00 H new ATOM 0 HB3 GLN A 158 5.001 -4.990 -3.549 1.00 0.00 H new ATOM 0 HG2 GLN A 158 4.145 -7.719 -4.490 1.00 0.00 H new ATOM 0 HG3 GLN A 158 5.718 -7.595 -3.729 1.00 0.00 H new ATOM 0 HE21 GLN A 158 5.846 -7.695 -1.621 1.00 0.00 H new ATOM 0 HE22 GLN A 158 4.527 -7.449 -0.473 1.00 0.00 H new ATOM 261 N LEU A 159 1.515 -4.333 -5.085 1.00 0.00 N ATOM 262 CA LEU A 159 0.393 -3.688 -4.424 1.00 0.00 C ATOM 263 C LEU A 159 -0.092 -4.571 -3.272 1.00 0.00 C ATOM 264 O LEU A 159 -0.945 -4.159 -2.487 1.00 0.00 O ATOM 265 CB LEU A 159 -0.700 -3.343 -5.438 1.00 0.00 C ATOM 266 CG LEU A 159 -0.448 -2.106 -6.301 1.00 0.00 C ATOM 267 CD1 LEU A 159 0.090 -2.498 -7.678 1.00 0.00 C ATOM 268 CD2 LEU A 159 -1.707 -1.243 -6.402 1.00 0.00 C ATOM 269 OXT LEU A 159 0.457 -5.736 -3.210 1.00 0.00 O ATOM 0 H LEU A 159 1.378 -4.513 -6.080 1.00 0.00 H new ATOM 0 HA LEU A 159 0.702 -2.738 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -0.839 -4.199 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -1.636 -3.201 -4.899 1.00 0.00 H new ATOM 0 HG LEU A 159 0.319 -1.502 -5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 159 0.260 -1.600 -8.271 1.00 0.00 H new ATOM 0 HD12 LEU A 159 1.029 -3.039 -7.561 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.635 -3.135 -8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -1.501 -0.370 -7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -2.512 -1.825 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -2.007 -0.919 -5.405 1.00 0.00 H new TER 282 LEU A 159