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= -0.0722 USER MOD Single : A 158 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 140 -7.501 27.622 0.694 1.00 0.00 C HETATM 2 O ACE A 140 -6.653 27.912 -0.148 1.00 0.00 O HETATM 3 CH3 ACE A 140 -8.830 28.296 0.692 1.00 0.00 C HETATM 0 H1 ACE A 140 -9.615 27.552 0.561 1.00 0.00 H new HETATM 0 H2 ACE A 140 -8.976 28.815 1.639 1.00 0.00 H new HETATM 0 H3 ACE A 140 -8.872 29.015 -0.126 1.00 0.00 H new ATOM 7 N GLY A 141 -7.332 26.721 1.651 1.00 0.00 N ATOM 8 CA GLY A 141 -6.084 25.986 1.774 1.00 0.00 C ATOM 9 C GLY A 141 -6.306 24.489 1.547 1.00 0.00 C ATOM 10 O GLY A 141 -7.445 24.031 1.467 1.00 0.00 O ATOM 0 H GLY A 141 -8.038 26.483 2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -5.362 26.364 1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -5.658 26.148 2.764 1.00 0.00 H new ATOM 14 N SER A 142 -5.199 23.767 1.449 1.00 0.00 N ATOM 15 CA SER A 142 -5.258 22.332 1.233 1.00 0.00 C ATOM 16 C SER A 142 -4.972 21.593 2.542 1.00 0.00 C ATOM 17 O SER A 142 -4.642 22.216 3.551 1.00 0.00 O ATOM 18 CB SER A 142 -4.268 21.897 0.151 1.00 0.00 C ATOM 19 OG SER A 142 -4.679 22.315 -1.148 1.00 0.00 O ATOM 0 H SER A 142 -4.256 24.150 1.515 1.00 0.00 H new ATOM 0 HA SER A 142 -6.262 22.079 0.892 1.00 0.00 H new ATOM 0 HB2 SER A 142 -3.285 22.312 0.371 1.00 0.00 H new ATOM 0 HB3 SER A 142 -4.167 20.812 0.167 1.00 0.00 H new ATOM 0 HG SER A 142 -4.020 22.020 -1.810 1.00 0.00 H new ATOM 25 N GLY A 143 -5.107 20.277 2.483 1.00 0.00 N ATOM 26 CA GLY A 143 -4.867 19.447 3.652 1.00 0.00 C ATOM 27 C GLY A 143 -6.175 18.859 4.185 1.00 0.00 C ATOM 28 O GLY A 143 -7.006 18.382 3.413 1.00 0.00 O ATOM 0 H GLY A 143 -5.379 19.764 1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -4.180 18.641 3.395 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.387 20.039 4.431 1.00 0.00 H new ATOM 32 N VAL A 144 -6.318 18.913 5.501 1.00 0.00 N ATOM 33 CA VAL A 144 -7.511 18.392 6.146 1.00 0.00 C ATOM 34 C VAL A 144 -7.343 18.478 7.665 1.00 0.00 C ATOM 35 O VAL A 144 -6.462 17.834 8.233 1.00 0.00 O ATOM 36 CB VAL A 144 -7.793 16.971 5.656 1.00 0.00 C ATOM 37 CG1 VAL A 144 -8.832 16.975 4.533 1.00 0.00 C ATOM 38 CG2 VAL A 144 -6.504 16.280 5.207 1.00 0.00 C ATOM 0 H VAL A 144 -5.627 19.310 6.138 1.00 0.00 H new ATOM 0 HA VAL A 144 -8.381 18.992 5.880 1.00 0.00 H new ATOM 0 HB VAL A 144 -8.204 16.404 6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -9.014 15.952 4.202 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -9.762 17.409 4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -8.461 17.566 3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.733 15.271 4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -6.052 16.847 4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -5.808 16.229 6.044 1.00 0.00 H new ATOM 48 N ARG A 145 -8.201 19.279 8.279 1.00 0.00 N ATOM 49 CA ARG A 145 -8.159 19.458 9.720 1.00 0.00 C ATOM 50 C ARG A 145 -8.320 18.110 10.427 1.00 0.00 C ATOM 51 O ARG A 145 -9.013 17.224 9.930 1.00 0.00 O ATOM 52 CB ARG A 145 -9.263 20.407 10.190 1.00 0.00 C ATOM 53 CG ARG A 145 -8.990 20.904 11.611 1.00 0.00 C ATOM 54 CD ARG A 145 -10.168 21.724 12.141 1.00 0.00 C ATOM 55 NE ARG A 145 -10.833 20.999 13.246 1.00 0.00 N ATOM 56 CZ ARG A 145 -10.279 20.796 14.460 1.00 0.00 C ATOM 57 NH1 ARG A 145 -9.042 21.264 14.735 1.00 0.00 N ATOM 58 NH2 ARG A 145 -10.963 20.134 15.374 1.00 0.00 N ATOM 0 H ARG A 145 -8.930 19.812 7.804 1.00 0.00 H new ATOM 0 HA ARG A 145 -7.191 19.892 9.972 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -9.331 21.257 9.510 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -10.225 19.896 10.158 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -8.809 20.054 12.269 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -8.086 21.512 11.620 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -9.818 22.695 12.491 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -10.881 21.913 11.338 1.00 0.00 H new ATOM 0 HE ARG A 145 -11.769 20.629 13.080 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -8.520 21.775 14.023 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -8.630 21.107 15.655 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -11.896 19.784 15.158 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -10.558 19.972 16.296 1.00 0.00 H new ATOM 71 N GLY A 146 -7.668 17.999 11.575 1.00 0.00 N ATOM 72 CA GLY A 146 -7.729 16.774 12.355 1.00 0.00 C ATOM 73 C GLY A 146 -6.338 16.363 12.840 1.00 0.00 C ATOM 74 O GLY A 146 -5.342 16.990 12.484 1.00 0.00 O ATOM 0 H GLY A 146 -7.095 18.737 11.984 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -8.389 16.916 13.211 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -8.158 15.975 11.751 1.00 0.00 H new ATOM 78 N ASP A 147 -6.315 15.311 13.646 1.00 0.00 N ATOM 79 CA ASP A 147 -5.062 14.808 14.184 1.00 0.00 C ATOM 80 C ASP A 147 -4.516 13.718 13.259 1.00 0.00 C ATOM 81 O ASP A 147 -5.282 12.958 12.670 1.00 0.00 O ATOM 82 CB ASP A 147 -5.265 14.194 15.570 1.00 0.00 C ATOM 83 CG ASP A 147 -5.987 15.092 16.576 1.00 0.00 C ATOM 84 OD1 ASP A 147 -7.164 14.873 16.899 1.00 0.00 O ATOM 85 OD2 ASP A 147 -5.281 16.066 17.042 1.00 0.00 O ATOM 0 H ASP A 147 -7.144 14.793 13.939 1.00 0.00 H new ATOM 0 HA ASP A 147 -4.367 15.644 14.259 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -5.830 13.268 15.461 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -4.290 13.927 15.979 1.00 0.00 H new ATOM 91 N PHE A 148 -3.195 13.677 13.161 1.00 0.00 N ATOM 92 CA PHE A 148 -2.538 12.693 12.318 1.00 0.00 C ATOM 93 C PHE A 148 -3.045 11.283 12.624 1.00 0.00 C ATOM 94 O PHE A 148 -3.422 10.987 13.757 1.00 0.00 O ATOM 95 CB PHE A 148 -1.042 12.764 12.632 1.00 0.00 C ATOM 96 CG PHE A 148 -0.700 12.492 14.098 1.00 0.00 C ATOM 97 CD1 PHE A 148 -0.479 11.218 14.520 1.00 0.00 C ATOM 98 CD2 PHE A 148 -0.618 13.524 14.980 1.00 0.00 C ATOM 99 CE1 PHE A 148 -0.162 10.966 15.881 1.00 0.00 C ATOM 100 CE2 PHE A 148 -0.301 13.272 16.341 1.00 0.00 C ATOM 101 CZ PHE A 148 -0.080 11.998 16.763 1.00 0.00 C ATOM 0 H PHE A 148 -2.562 14.309 13.651 1.00 0.00 H new ATOM 0 HA PHE A 148 -2.744 12.904 11.269 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -0.515 12.043 12.007 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -0.671 13.752 12.360 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -0.545 10.398 13.820 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -0.794 14.536 14.645 1.00 0.00 H new ATOM 0 HE1 PHE A 148 0.014 9.954 16.216 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -0.235 14.092 17.041 1.00 0.00 H new ATOM 0 HZ PHE A 148 0.161 11.806 17.798 1.00 0.00 H new ATOM 111 N GLY A 149 -3.038 10.450 11.593 1.00 0.00 N ATOM 112 CA GLY A 149 -3.493 9.077 11.738 1.00 0.00 C ATOM 113 C GLY A 149 -2.389 8.090 11.353 1.00 0.00 C ATOM 114 O GLY A 149 -1.311 8.099 11.944 1.00 0.00 O ATOM 0 H GLY A 149 -2.725 10.699 10.655 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -3.802 8.899 12.768 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -4.369 8.912 11.110 1.00 0.00 H new ATOM 118 N SER A 150 -2.697 7.264 10.364 1.00 0.00 N ATOM 119 CA SER A 150 -1.745 6.273 9.893 1.00 0.00 C ATOM 120 C SER A 150 -1.831 6.147 8.371 1.00 0.00 C ATOM 121 O SER A 150 -2.766 6.654 7.754 1.00 0.00 O ATOM 122 CB SER A 150 -1.991 4.915 10.553 1.00 0.00 C ATOM 123 OG SER A 150 -0.957 3.981 10.255 1.00 0.00 O ATOM 0 H SER A 150 -3.593 7.261 9.876 1.00 0.00 H new ATOM 0 HA SER A 150 -0.743 6.604 10.168 1.00 0.00 H new ATOM 0 HB2 SER A 150 -2.062 5.044 11.633 1.00 0.00 H new ATOM 0 HB3 SER A 150 -2.948 4.516 10.216 1.00 0.00 H new ATOM 0 HG SER A 150 -1.150 3.127 10.696 1.00 0.00 H new ATOM 129 N LEU A 151 -0.842 5.467 7.808 1.00 0.00 N ATOM 130 CA LEU A 151 -0.794 5.267 6.370 1.00 0.00 C ATOM 131 C LEU A 151 -0.283 3.857 6.072 1.00 0.00 C ATOM 132 O LEU A 151 0.468 3.285 6.861 1.00 0.00 O ATOM 133 CB LEU A 151 0.027 6.373 5.703 1.00 0.00 C ATOM 134 CG LEU A 151 -0.764 7.574 5.182 1.00 0.00 C ATOM 135 CD1 LEU A 151 -0.355 8.857 5.910 1.00 0.00 C ATOM 136 CD2 LEU A 151 -0.624 7.707 3.664 1.00 0.00 C ATOM 0 H LEU A 151 -0.068 5.048 8.323 1.00 0.00 H new ATOM 0 HA LEU A 151 -1.793 5.341 5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 151 0.765 6.733 6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 151 0.578 5.937 4.870 1.00 0.00 H new ATOM 0 HG LEU A 151 -1.820 7.405 5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -0.932 9.696 5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -0.549 8.747 6.977 1.00 0.00 H new ATOM 0 HD13 LEU A 151 0.707 9.043 5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -1.196 8.569 3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 151 0.426 7.842 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -1.002 6.805 3.183 1.00 0.00 H new ATOM 148 N ALA A 152 -0.710 3.336 4.931 1.00 0.00 N ATOM 149 CA ALA A 152 -0.305 2.003 4.518 1.00 0.00 C ATOM 150 C ALA A 152 0.904 2.107 3.587 1.00 0.00 C ATOM 151 O ALA A 152 1.374 3.205 3.295 1.00 0.00 O ATOM 152 CB ALA A 152 -1.488 1.290 3.861 1.00 0.00 C ATOM 0 H ALA A 152 -1.333 3.813 4.279 1.00 0.00 H new ATOM 0 HA ALA A 152 -0.005 1.409 5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -1.184 0.290 3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -2.309 1.215 4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -1.815 1.856 2.989 1.00 0.00 H new ATOM 158 N PRO A 153 1.385 0.918 3.134 1.00 0.00 N ATOM 159 CA PRO A 153 2.530 0.866 2.241 1.00 0.00 C ATOM 160 C PRO A 153 2.140 1.287 0.823 1.00 0.00 C ATOM 161 O PRO A 153 0.961 1.486 0.533 1.00 0.00 O ATOM 162 CB PRO A 153 3.024 -0.570 2.319 1.00 0.00 C ATOM 163 CG PRO A 153 1.868 -1.378 2.886 1.00 0.00 C ATOM 164 CD PRO A 153 0.853 -0.402 3.458 1.00 0.00 C ATOM 0 HA PRO A 153 3.319 1.562 2.528 1.00 0.00 H new ATOM 0 HB2 PRO A 153 3.312 -0.938 1.334 1.00 0.00 H new ATOM 0 HB3 PRO A 153 3.904 -0.646 2.958 1.00 0.00 H new ATOM 0 HG2 PRO A 153 1.412 -1.990 2.108 1.00 0.00 H new ATOM 0 HG3 PRO A 153 2.222 -2.058 3.661 1.00 0.00 H new ATOM 0 HD2 PRO A 153 -0.132 -0.551 3.016 1.00 0.00 H new ATOM 0 HD3 PRO A 153 0.743 -0.531 4.535 1.00 0.00 H new ATOM 172 N ARG A 154 3.152 1.411 -0.023 1.00 0.00 N ATOM 173 CA ARG A 154 2.930 1.805 -1.404 1.00 0.00 C ATOM 174 C ARG A 154 4.026 1.230 -2.303 1.00 0.00 C ATOM 175 O ARG A 154 5.048 1.875 -2.531 1.00 0.00 O ATOM 176 CB ARG A 154 2.910 3.328 -1.545 1.00 0.00 C ATOM 177 CG ARG A 154 1.786 3.777 -2.481 1.00 0.00 C ATOM 178 CD ARG A 154 2.349 4.506 -3.704 1.00 0.00 C ATOM 179 NE ARG A 154 1.530 5.701 -4.002 1.00 0.00 N ATOM 180 CZ ARG A 154 1.690 6.898 -3.400 1.00 0.00 C ATOM 181 NH1 ARG A 154 2.643 7.070 -2.459 1.00 0.00 N ATOM 182 NH2 ARG A 154 0.901 7.899 -3.745 1.00 0.00 N ATOM 0 H ARG A 154 4.128 1.245 0.221 1.00 0.00 H new ATOM 0 HA ARG A 154 1.961 1.410 -1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 154 2.777 3.786 -0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 154 3.869 3.674 -1.931 1.00 0.00 H new ATOM 0 HG2 ARG A 154 1.209 2.911 -2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 154 1.102 4.434 -1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 154 3.382 4.800 -3.519 1.00 0.00 H new ATOM 0 HD3 ARG A 154 2.357 3.837 -4.564 1.00 0.00 H new ATOM 0 HE ARG A 154 0.798 5.615 -4.707 1.00 0.00 H new ATOM 0 HH11 ARG A 154 3.249 6.292 -2.198 1.00 0.00 H new ATOM 0 HH12 ARG A 154 2.757 7.978 -2.009 1.00 0.00 H new ATOM 0 HH21 ARG A 154 0.184 7.761 -4.457 1.00 0.00 H new ATOM 0 HH22 ARG A 154 1.009 8.810 -3.300 1.00 0.00 H new ATOM 195 N VAL A 155 3.776 0.024 -2.790 1.00 0.00 N ATOM 196 CA VAL A 155 4.729 -0.645 -3.660 1.00 0.00 C ATOM 197 C VAL A 155 4.503 -0.188 -5.102 1.00 0.00 C ATOM 198 O VAL A 155 3.631 0.637 -5.367 1.00 0.00 O ATOM 199 CB VAL A 155 4.619 -2.161 -3.488 1.00 0.00 C ATOM 200 CG1 VAL A 155 4.042 -2.517 -2.117 1.00 0.00 C ATOM 201 CG2 VAL A 155 3.786 -2.781 -4.612 1.00 0.00 C ATOM 0 H VAL A 155 2.927 -0.508 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 155 5.750 -0.374 -3.390 1.00 0.00 H new ATOM 0 HB VAL A 155 5.624 -2.579 -3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 155 3.974 -3.601 -2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 155 4.692 -2.123 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 155 3.048 -2.081 -2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 155 3.723 -3.859 -4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 155 2.783 -2.354 -4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 155 4.257 -2.572 -5.572 1.00 0.00 H new ATOM 211 N ALA A 156 5.305 -0.746 -5.998 1.00 0.00 N ATOM 212 CA ALA A 156 5.205 -0.407 -7.407 1.00 0.00 C ATOM 213 C ALA A 156 5.379 -1.674 -8.246 1.00 0.00 C ATOM 214 O ALA A 156 4.612 -1.918 -9.176 1.00 0.00 O ATOM 215 CB ALA A 156 6.240 0.666 -7.749 1.00 0.00 C ATOM 0 H ALA A 156 6.027 -1.431 -5.775 1.00 0.00 H new ATOM 0 HA ALA A 156 4.222 0.005 -7.633 1.00 0.00 H new ATOM 0 HB1 ALA A 156 6.165 0.920 -8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 156 6.054 1.556 -7.148 1.00 0.00 H new ATOM 0 HB3 ALA A 156 7.240 0.288 -7.537 1.00 0.00 H new ATOM 221 N ARG A 157 6.393 -2.448 -7.887 1.00 0.00 N ATOM 222 CA ARG A 157 6.678 -3.685 -8.595 1.00 0.00 C ATOM 223 C ARG A 157 5.884 -4.841 -7.984 1.00 0.00 C ATOM 224 O ARG A 157 5.567 -5.812 -8.670 1.00 0.00 O ATOM 225 CB ARG A 157 8.170 -4.016 -8.545 1.00 0.00 C ATOM 226 CG ARG A 157 8.424 -5.467 -8.959 1.00 0.00 C ATOM 227 CD ARG A 157 9.917 -5.796 -8.921 1.00 0.00 C ATOM 228 NE ARG A 157 10.552 -5.419 -10.204 1.00 0.00 N ATOM 229 CZ ARG A 157 11.055 -4.195 -10.468 1.00 0.00 C ATOM 230 NH1 ARG A 157 11.002 -3.217 -9.539 1.00 0.00 N ATOM 231 NH2 ARG A 157 11.600 -3.968 -11.649 1.00 0.00 N ATOM 0 H ARG A 157 7.027 -2.243 -7.115 1.00 0.00 H new ATOM 0 HA ARG A 157 6.383 -3.548 -9.635 1.00 0.00 H new ATOM 0 HB2 ARG A 157 8.717 -3.344 -9.206 1.00 0.00 H new ATOM 0 HB3 ARG A 157 8.549 -3.850 -7.537 1.00 0.00 H new ATOM 0 HG2 ARG A 157 7.883 -6.139 -8.292 1.00 0.00 H new ATOM 0 HG3 ARG A 157 8.037 -5.635 -9.964 1.00 0.00 H new ATOM 0 HD2 ARG A 157 10.394 -5.263 -8.099 1.00 0.00 H new ATOM 0 HD3 ARG A 157 10.058 -6.861 -8.735 1.00 0.00 H new ATOM 0 HE ARG A 157 10.613 -6.129 -10.934 1.00 0.00 H new ATOM 0 HH11 ARG A 157 10.579 -3.400 -8.629 1.00 0.00 H new ATOM 0 HH12 ARG A 157 11.385 -2.295 -9.747 1.00 0.00 H new ATOM 0 HH21 ARG A 157 11.636 -4.712 -12.346 1.00 0.00 H new ATOM 0 HH22 ARG A 157 11.985 -3.048 -11.865 1.00 0.00 H new ATOM 244 N GLN A 158 5.587 -4.700 -6.700 1.00 0.00 N ATOM 245 CA GLN A 158 4.837 -5.721 -5.989 1.00 0.00 C ATOM 246 C GLN A 158 3.347 -5.612 -6.319 1.00 0.00 C ATOM 247 O GLN A 158 2.523 -5.417 -5.428 1.00 0.00 O ATOM 248 CB GLN A 158 5.073 -5.624 -4.481 1.00 0.00 C ATOM 249 CG GLN A 158 6.178 -6.584 -4.035 1.00 0.00 C ATOM 250 CD GLN A 158 6.578 -6.324 -2.582 1.00 0.00 C ATOM 251 OE1 GLN A 158 5.749 -6.113 -1.711 1.00 0.00 O ATOM 252 NE2 GLN A 158 7.890 -6.349 -2.369 1.00 0.00 N ATOM 0 H GLN A 158 5.852 -3.894 -6.134 1.00 0.00 H new ATOM 0 HA GLN A 158 5.191 -6.698 -6.317 1.00 0.00 H new ATOM 0 HB2 GLN A 158 5.346 -4.602 -4.217 1.00 0.00 H new ATOM 0 HB3 GLN A 158 4.150 -5.855 -3.949 1.00 0.00 H new ATOM 0 HG2 GLN A 158 5.836 -7.613 -4.143 1.00 0.00 H new ATOM 0 HG3 GLN A 158 7.048 -6.468 -4.682 1.00 0.00 H new ATOM 0 HE21 GLN A 158 8.529 -6.532 -3.143 1.00 0.00 H new ATOM 0 HE22 GLN A 158 8.258 -6.186 -1.432 1.00 0.00 H new ATOM 261 N LEU A 159 3.047 -5.742 -7.603 1.00 0.00 N ATOM 262 CA LEU A 159 1.671 -5.660 -8.062 1.00 0.00 C ATOM 263 C LEU A 159 1.077 -7.069 -8.135 1.00 0.00 C ATOM 264 O LEU A 159 -0.091 -7.237 -8.480 1.00 0.00 O ATOM 265 CB LEU A 159 1.591 -4.891 -9.382 1.00 0.00 C ATOM 266 CG LEU A 159 0.644 -3.689 -9.402 1.00 0.00 C ATOM 267 CD1 LEU A 159 -0.742 -4.074 -8.882 1.00 0.00 C ATOM 268 CD2 LEU A 159 1.239 -2.510 -8.629 1.00 0.00 C ATOM 269 OXT LEU A 159 1.888 -8.019 -7.812 1.00 0.00 O ATOM 0 H LEU A 159 3.734 -5.904 -8.340 1.00 0.00 H new ATOM 0 HA LEU A 159 1.067 -5.094 -7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 159 2.592 -4.544 -9.639 1.00 0.00 H new ATOM 0 HB3 LEU A 159 1.283 -5.584 -10.165 1.00 0.00 H new ATOM 0 HG LEU A 159 0.522 -3.368 -10.436 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -1.395 -3.202 -8.907 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.161 -4.859 -9.511 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.659 -4.436 -7.857 1.00 0.00 H new ATOM 0 HD21 LEU A 159 0.546 -1.669 -8.659 1.00 0.00 H new ATOM 0 HD22 LEU A 159 1.410 -2.803 -7.593 1.00 0.00 H new ATOM 0 HD23 LEU A 159 2.185 -2.217 -9.084 1.00 0.00 H new TER 282 LEU A 159