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=-0.00592 X(o=-0.0059,f=-0.0045) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 140 -9.383 -2.078 25.059 1.00 0.00 C HETATM 2 O ACE A 140 -10.070 -3.010 25.474 1.00 0.00 O HETATM 3 CH3 ACE A 140 -8.607 -2.214 23.795 1.00 0.00 C HETATM 0 H1 ACE A 140 -8.938 -1.459 23.082 1.00 0.00 H new HETATM 0 H2 ACE A 140 -7.546 -2.076 24.003 1.00 0.00 H new HETATM 0 H3 ACE A 140 -8.768 -3.207 23.374 1.00 0.00 H new ATOM 7 N GLY A 141 -9.264 -0.905 25.665 1.00 0.00 N ATOM 8 CA GLY A 141 -9.965 -0.631 26.908 1.00 0.00 C ATOM 9 C GLY A 141 -10.457 0.817 26.953 1.00 0.00 C ATOM 10 O GLY A 141 -11.508 1.136 26.398 1.00 0.00 O ATOM 0 H GLY A 141 -8.693 -0.134 25.318 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -10.812 -1.310 27.009 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.302 -0.820 27.753 1.00 0.00 H new ATOM 14 N SER A 142 -9.675 1.654 27.618 1.00 0.00 N ATOM 15 CA SER A 142 -10.019 3.061 27.741 1.00 0.00 C ATOM 16 C SER A 142 -10.316 3.650 26.361 1.00 0.00 C ATOM 17 O SER A 142 -10.132 2.983 25.344 1.00 0.00 O ATOM 18 CB SER A 142 -8.894 3.844 28.422 1.00 0.00 C ATOM 19 OG SER A 142 -7.689 3.818 27.661 1.00 0.00 O ATOM 0 H SER A 142 -8.805 1.386 28.077 1.00 0.00 H new ATOM 0 HA SER A 142 -10.911 3.143 28.362 1.00 0.00 H new ATOM 0 HB2 SER A 142 -9.208 4.877 28.568 1.00 0.00 H new ATOM 0 HB3 SER A 142 -8.708 3.425 29.411 1.00 0.00 H new ATOM 0 HG SER A 142 -6.996 4.330 28.128 1.00 0.00 H new ATOM 25 N GLY A 143 -10.772 4.894 26.370 1.00 0.00 N ATOM 26 CA GLY A 143 -11.098 5.581 25.132 1.00 0.00 C ATOM 27 C GLY A 143 -9.925 6.442 24.658 1.00 0.00 C ATOM 28 O GLY A 143 -8.925 6.576 25.361 1.00 0.00 O ATOM 0 H GLY A 143 -10.923 5.444 27.215 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.352 4.852 24.363 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.977 6.208 25.280 1.00 0.00 H new ATOM 32 N VAL A 144 -10.088 7.004 23.469 1.00 0.00 N ATOM 33 CA VAL A 144 -9.055 7.849 22.894 1.00 0.00 C ATOM 34 C VAL A 144 -9.465 8.254 21.476 1.00 0.00 C ATOM 35 O VAL A 144 -9.596 7.403 20.598 1.00 0.00 O ATOM 36 CB VAL A 144 -7.704 7.133 22.944 1.00 0.00 C ATOM 37 CG1 VAL A 144 -6.893 7.578 24.163 1.00 0.00 C ATOM 38 CG2 VAL A 144 -7.888 5.614 22.934 1.00 0.00 C ATOM 0 H VAL A 144 -10.919 6.891 22.889 1.00 0.00 H new ATOM 0 HA VAL A 144 -8.943 8.765 23.475 1.00 0.00 H new ATOM 0 HB VAL A 144 -7.145 7.409 22.050 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -5.937 7.054 24.175 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -6.717 8.652 24.111 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -7.446 7.345 25.073 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.912 5.129 22.970 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.475 5.313 23.802 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -8.408 5.316 22.023 1.00 0.00 H new ATOM 48 N ARG A 145 -9.656 9.553 21.298 1.00 0.00 N ATOM 49 CA ARG A 145 -10.048 10.080 20.002 1.00 0.00 C ATOM 50 C ARG A 145 -9.065 11.162 19.550 1.00 0.00 C ATOM 51 O ARG A 145 -9.147 12.305 19.994 1.00 0.00 O ATOM 52 CB ARG A 145 -11.458 10.672 20.052 1.00 0.00 C ATOM 53 CG ARG A 145 -12.514 9.596 19.793 1.00 0.00 C ATOM 54 CD ARG A 145 -13.899 10.219 19.607 1.00 0.00 C ATOM 55 NE ARG A 145 -14.913 9.429 20.340 1.00 0.00 N ATOM 56 CZ ARG A 145 -14.941 9.295 21.683 1.00 0.00 C ATOM 57 NH1 ARG A 145 -14.010 9.898 22.452 1.00 0.00 N ATOM 58 NH2 ARG A 145 -15.893 8.564 22.233 1.00 0.00 N ATOM 0 H ARG A 145 -9.547 10.256 22.029 1.00 0.00 H new ATOM 0 HA ARG A 145 -10.037 9.254 19.291 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -11.630 11.128 21.027 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -11.550 11.464 19.309 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -12.246 9.025 18.904 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -12.536 8.895 20.627 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -13.896 11.247 19.969 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -14.151 10.255 18.547 1.00 0.00 H new ATOM 0 HE ARG A 145 -15.636 8.956 19.797 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -13.277 10.461 22.019 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -14.039 9.791 23.466 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -16.592 8.111 21.645 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -15.929 8.452 23.246 1.00 0.00 H new ATOM 71 N GLY A 146 -8.157 10.761 18.671 1.00 0.00 N ATOM 72 CA GLY A 146 -7.159 11.681 18.154 1.00 0.00 C ATOM 73 C GLY A 146 -7.284 11.828 16.636 1.00 0.00 C ATOM 74 O GLY A 146 -8.266 11.383 16.044 1.00 0.00 O ATOM 0 H GLY A 146 -8.092 9.811 18.304 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -7.277 12.655 18.628 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -6.162 11.322 18.407 1.00 0.00 H new ATOM 78 N ASP A 147 -6.275 12.456 16.049 1.00 0.00 N ATOM 79 CA ASP A 147 -6.260 12.668 14.612 1.00 0.00 C ATOM 80 C ASP A 147 -6.551 11.344 13.902 1.00 0.00 C ATOM 81 O ASP A 147 -6.417 10.275 14.496 1.00 0.00 O ATOM 82 CB ASP A 147 -4.891 13.164 14.143 1.00 0.00 C ATOM 83 CG ASP A 147 -4.300 14.308 14.970 1.00 0.00 C ATOM 84 OD1 ASP A 147 -4.862 15.412 15.027 1.00 0.00 O ATOM 85 OD2 ASP A 147 -3.200 14.026 15.582 1.00 0.00 O ATOM 0 H ASP A 147 -5.462 12.825 16.543 1.00 0.00 H new ATOM 0 HA ASP A 147 -7.016 13.416 14.374 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -4.193 12.327 14.158 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -4.975 13.491 13.106 1.00 0.00 H new ATOM 91 N PHE A 148 -6.944 11.458 12.642 1.00 0.00 N ATOM 92 CA PHE A 148 -7.255 10.284 11.846 1.00 0.00 C ATOM 93 C PHE A 148 -6.337 10.190 10.625 1.00 0.00 C ATOM 94 O PHE A 148 -5.684 11.166 10.259 1.00 0.00 O ATOM 95 CB PHE A 148 -8.701 10.435 11.371 1.00 0.00 C ATOM 96 CG PHE A 148 -9.551 9.175 11.550 1.00 0.00 C ATOM 97 CD1 PHE A 148 -9.504 8.186 10.618 1.00 0.00 C ATOM 98 CD2 PHE A 148 -10.352 9.044 12.641 1.00 0.00 C ATOM 99 CE1 PHE A 148 -10.292 7.016 10.783 1.00 0.00 C ATOM 100 CE2 PHE A 148 -11.140 7.874 12.807 1.00 0.00 C ATOM 101 CZ PHE A 148 -11.093 6.885 11.875 1.00 0.00 C ATOM 0 H PHE A 148 -7.054 12.346 12.153 1.00 0.00 H new ATOM 0 HA PHE A 148 -7.115 9.383 12.443 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -9.168 11.256 11.916 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -8.699 10.713 10.317 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -8.867 8.290 9.752 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -10.389 9.830 13.381 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -10.255 6.231 10.042 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -11.776 7.770 13.673 1.00 0.00 H new ATOM 0 HZ PHE A 148 -11.692 5.995 12.002 1.00 0.00 H new ATOM 111 N GLY A 149 -6.317 9.007 10.029 1.00 0.00 N ATOM 112 CA GLY A 149 -5.490 8.773 8.857 1.00 0.00 C ATOM 113 C GLY A 149 -4.503 7.630 9.102 1.00 0.00 C ATOM 114 O GLY A 149 -3.687 7.696 10.020 1.00 0.00 O ATOM 0 H GLY A 149 -6.860 8.200 10.336 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -6.123 8.535 8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -4.944 9.682 8.605 1.00 0.00 H new ATOM 118 N SER A 150 -4.610 6.609 8.264 1.00 0.00 N ATOM 119 CA SER A 150 -3.737 5.453 8.378 1.00 0.00 C ATOM 120 C SER A 150 -2.638 5.521 7.316 1.00 0.00 C ATOM 121 O SER A 150 -2.767 6.244 6.329 1.00 0.00 O ATOM 122 CB SER A 150 -4.528 4.150 8.241 1.00 0.00 C ATOM 123 OG SER A 150 -4.966 3.657 9.504 1.00 0.00 O ATOM 0 H SER A 150 -5.288 6.558 7.503 1.00 0.00 H new ATOM 0 HA SER A 150 -3.279 5.466 9.367 1.00 0.00 H new ATOM 0 HB2 SER A 150 -5.392 4.316 7.597 1.00 0.00 H new ATOM 0 HB3 SER A 150 -3.907 3.398 7.754 1.00 0.00 H new ATOM 0 HG SER A 150 -5.468 2.826 9.374 1.00 0.00 H new ATOM 129 N LEU A 151 -1.582 4.758 7.554 1.00 0.00 N ATOM 130 CA LEU A 151 -0.461 4.722 6.629 1.00 0.00 C ATOM 131 C LEU A 151 -0.432 3.366 5.922 1.00 0.00 C ATOM 132 O LEU A 151 -1.169 2.453 6.291 1.00 0.00 O ATOM 133 CB LEU A 151 0.842 5.065 7.354 1.00 0.00 C ATOM 134 CG LEU A 151 0.943 6.484 7.917 1.00 0.00 C ATOM 135 CD1 LEU A 151 2.068 6.586 8.949 1.00 0.00 C ATOM 136 CD2 LEU A 151 1.101 7.510 6.793 1.00 0.00 C ATOM 0 H LEU A 151 -1.478 4.160 8.374 1.00 0.00 H new ATOM 0 HA LEU A 151 -0.580 5.482 5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 151 0.975 4.360 8.174 1.00 0.00 H new ATOM 0 HB3 LEU A 151 1.671 4.910 6.663 1.00 0.00 H new ATOM 0 HG LEU A 151 0.011 6.714 8.434 1.00 0.00 H new ATOM 0 HD11 LEU A 151 2.118 7.605 9.333 1.00 0.00 H new ATOM 0 HD12 LEU A 151 1.871 5.897 9.771 1.00 0.00 H new ATOM 0 HD13 LEU A 151 3.017 6.328 8.479 1.00 0.00 H new ATOM 0 HD21 LEU A 151 1.170 8.510 7.221 1.00 0.00 H new ATOM 0 HD22 LEU A 151 2.007 7.293 6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 151 0.238 7.458 6.129 1.00 0.00 H new ATOM 148 N ALA A 152 0.427 3.277 4.917 1.00 0.00 N ATOM 149 CA ALA A 152 0.561 2.048 4.154 1.00 0.00 C ATOM 150 C ALA A 152 1.967 1.977 3.553 1.00 0.00 C ATOM 151 O ALA A 152 2.776 2.883 3.748 1.00 0.00 O ATOM 152 CB ALA A 152 -0.532 1.988 3.085 1.00 0.00 C ATOM 0 H ALA A 152 1.037 4.036 4.614 1.00 0.00 H new ATOM 0 HA ALA A 152 0.433 1.180 4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -0.431 1.066 2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -1.511 2.013 3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -0.434 2.843 2.416 1.00 0.00 H new ATOM 158 N PRO A 153 2.221 0.862 2.817 1.00 0.00 N ATOM 159 CA PRO A 153 3.515 0.661 2.187 1.00 0.00 C ATOM 160 C PRO A 153 3.670 1.553 0.954 1.00 0.00 C ATOM 161 O PRO A 153 2.778 2.338 0.636 1.00 0.00 O ATOM 162 CB PRO A 153 3.565 -0.822 1.857 1.00 0.00 C ATOM 163 CG PRO A 153 2.125 -1.305 1.889 1.00 0.00 C ATOM 164 CD PRO A 153 1.288 -0.232 2.565 1.00 0.00 C ATOM 0 HA PRO A 153 4.346 0.940 2.835 1.00 0.00 H new ATOM 0 HB2 PRO A 153 4.011 -0.989 0.877 1.00 0.00 H new ATOM 0 HB3 PRO A 153 4.174 -1.363 2.581 1.00 0.00 H new ATOM 0 HG2 PRO A 153 1.762 -1.491 0.878 1.00 0.00 H new ATOM 0 HG3 PRO A 153 2.050 -2.247 2.433 1.00 0.00 H new ATOM 0 HD2 PRO A 153 0.465 0.089 1.927 1.00 0.00 H new ATOM 0 HD3 PRO A 153 0.848 -0.599 3.492 1.00 0.00 H new ATOM 172 N ARG A 154 4.808 1.403 0.293 1.00 0.00 N ATOM 173 CA ARG A 154 5.091 2.185 -0.898 1.00 0.00 C ATOM 174 C ARG A 154 5.770 1.314 -1.957 1.00 0.00 C ATOM 175 O ARG A 154 6.997 1.285 -2.048 1.00 0.00 O ATOM 176 CB ARG A 154 5.994 3.377 -0.573 1.00 0.00 C ATOM 177 CG ARG A 154 5.172 4.567 -0.074 1.00 0.00 C ATOM 178 CD ARG A 154 5.759 5.888 -0.576 1.00 0.00 C ATOM 179 NE ARG A 154 4.734 6.954 -0.514 1.00 0.00 N ATOM 180 CZ ARG A 154 5.015 8.274 -0.495 1.00 0.00 C ATOM 181 NH1 ARG A 154 6.295 8.703 -0.533 1.00 0.00 N ATOM 182 NH2 ARG A 154 4.020 9.139 -0.439 1.00 0.00 N ATOM 0 H ARG A 154 5.545 0.751 0.560 1.00 0.00 H new ATOM 0 HA ARG A 154 4.141 2.557 -1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 154 6.722 3.090 0.185 1.00 0.00 H new ATOM 0 HB3 ARG A 154 6.556 3.665 -1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 154 4.141 4.470 -0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 154 5.149 4.566 1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 154 6.621 6.166 0.030 1.00 0.00 H new ATOM 0 HD3 ARG A 154 6.113 5.772 -1.600 1.00 0.00 H new ATOM 0 HE ARG A 154 3.754 6.673 -0.484 1.00 0.00 H new ATOM 0 HH11 ARG A 154 7.058 8.028 -0.576 1.00 0.00 H new ATOM 0 HH12 ARG A 154 6.499 9.702 -0.518 1.00 0.00 H new ATOM 0 HH21 ARG A 154 3.056 8.806 -0.411 1.00 0.00 H new ATOM 0 HH22 ARG A 154 4.215 10.140 -0.424 1.00 0.00 H new ATOM 195 N VAL A 155 4.943 0.626 -2.730 1.00 0.00 N ATOM 196 CA VAL A 155 5.449 -0.244 -3.779 1.00 0.00 C ATOM 197 C VAL A 155 5.038 0.316 -5.142 1.00 0.00 C ATOM 198 O VAL A 155 4.391 1.359 -5.219 1.00 0.00 O ATOM 199 CB VAL A 155 4.963 -1.677 -3.550 1.00 0.00 C ATOM 200 CG1 VAL A 155 4.632 -1.914 -2.075 1.00 0.00 C ATOM 201 CG2 VAL A 155 3.762 -1.997 -4.440 1.00 0.00 C ATOM 0 H VAL A 155 3.926 0.653 -2.651 1.00 0.00 H new ATOM 0 HA VAL A 155 6.538 -0.277 -3.756 1.00 0.00 H new ATOM 0 HB VAL A 155 5.772 -2.354 -3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 155 4.289 -2.940 -1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 155 5.523 -1.747 -1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 155 3.847 -1.225 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 155 3.437 -3.021 -4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 155 2.947 -1.311 -4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 155 4.045 -1.887 -5.487 1.00 0.00 H new ATOM 211 N ALA A 156 5.430 -0.403 -6.184 1.00 0.00 N ATOM 212 CA ALA A 156 5.110 0.009 -7.540 1.00 0.00 C ATOM 213 C ALA A 156 4.726 -1.221 -8.365 1.00 0.00 C ATOM 214 O ALA A 156 3.731 -1.203 -9.087 1.00 0.00 O ATOM 215 CB ALA A 156 6.299 0.765 -8.138 1.00 0.00 C ATOM 0 H ALA A 156 5.966 -1.268 -6.116 1.00 0.00 H new ATOM 0 HA ALA A 156 4.257 0.688 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 156 6.059 1.074 -9.155 1.00 0.00 H new ATOM 0 HB2 ALA A 156 6.512 1.645 -7.532 1.00 0.00 H new ATOM 0 HB3 ALA A 156 7.173 0.114 -8.153 1.00 0.00 H new ATOM 221 N ARG A 157 5.537 -2.260 -8.230 1.00 0.00 N ATOM 222 CA ARG A 157 5.295 -3.497 -8.954 1.00 0.00 C ATOM 223 C ARG A 157 4.588 -4.510 -8.052 1.00 0.00 C ATOM 224 O ARG A 157 3.846 -5.365 -8.535 1.00 0.00 O ATOM 225 CB ARG A 157 6.605 -4.103 -9.462 1.00 0.00 C ATOM 226 CG ARG A 157 7.651 -3.016 -9.714 1.00 0.00 C ATOM 227 CD ARG A 157 7.129 -1.973 -10.706 1.00 0.00 C ATOM 228 NE ARG A 157 7.611 -2.287 -12.070 1.00 0.00 N ATOM 229 CZ ARG A 157 6.966 -3.101 -12.931 1.00 0.00 C ATOM 230 NH1 ARG A 157 5.805 -3.692 -12.577 1.00 0.00 N ATOM 231 NH2 ARG A 157 7.487 -3.311 -14.126 1.00 0.00 N ATOM 0 H ARG A 157 6.362 -2.271 -7.630 1.00 0.00 H new ATOM 0 HA ARG A 157 4.661 -3.262 -9.809 1.00 0.00 H new ATOM 0 HB2 ARG A 157 6.986 -4.817 -8.732 1.00 0.00 H new ATOM 0 HB3 ARG A 157 6.421 -4.656 -10.383 1.00 0.00 H new ATOM 0 HG2 ARG A 157 7.910 -2.531 -8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 157 8.564 -3.468 -10.102 1.00 0.00 H new ATOM 0 HD2 ARG A 157 6.039 -1.958 -10.691 1.00 0.00 H new ATOM 0 HD3 ARG A 157 7.466 -0.979 -10.412 1.00 0.00 H new ATOM 0 HE ARG A 157 8.485 -1.861 -12.378 1.00 0.00 H new ATOM 0 HH11 ARG A 157 5.409 -3.525 -11.652 1.00 0.00 H new ATOM 0 HH12 ARG A 157 5.324 -4.306 -13.234 1.00 0.00 H new ATOM 0 HH21 ARG A 157 8.364 -2.861 -14.386 1.00 0.00 H new ATOM 0 HH22 ARG A 157 7.012 -3.924 -14.789 1.00 0.00 H new ATOM 244 N GLN A 158 4.842 -4.381 -6.758 1.00 0.00 N ATOM 245 CA GLN A 158 4.239 -5.275 -5.784 1.00 0.00 C ATOM 246 C GLN A 158 2.714 -5.147 -5.818 1.00 0.00 C ATOM 247 O GLN A 158 2.156 -4.191 -5.281 1.00 0.00 O ATOM 248 CB GLN A 158 4.781 -5.002 -4.380 1.00 0.00 C ATOM 249 CG GLN A 158 5.338 -6.280 -3.749 1.00 0.00 C ATOM 250 CD GLN A 158 6.864 -6.324 -3.856 1.00 0.00 C ATOM 251 OE1 GLN A 158 7.576 -5.532 -3.262 1.00 0.00 O ATOM 252 NE2 GLN A 158 7.323 -7.292 -4.644 1.00 0.00 N ATOM 0 H GLN A 158 5.457 -3.671 -6.361 1.00 0.00 H new ATOM 0 HA GLN A 158 4.504 -6.299 -6.047 1.00 0.00 H new ATOM 0 HB2 GLN A 158 5.564 -4.245 -4.429 1.00 0.00 H new ATOM 0 HB3 GLN A 158 3.987 -4.598 -3.752 1.00 0.00 H new ATOM 0 HG2 GLN A 158 5.042 -6.332 -2.701 1.00 0.00 H new ATOM 0 HG3 GLN A 158 4.910 -7.151 -4.245 1.00 0.00 H new ATOM 0 HE21 GLN A 158 6.671 -7.921 -5.112 1.00 0.00 H new ATOM 0 HE22 GLN A 158 8.327 -7.405 -4.781 1.00 0.00 H new ATOM 261 N LEU A 159 2.084 -6.123 -6.455 1.00 0.00 N ATOM 262 CA LEU A 159 0.635 -6.131 -6.566 1.00 0.00 C ATOM 263 C LEU A 159 0.078 -7.346 -5.822 1.00 0.00 C ATOM 264 O LEU A 159 -1.135 -7.541 -5.766 1.00 0.00 O ATOM 265 CB LEU A 159 0.210 -6.060 -8.034 1.00 0.00 C ATOM 266 CG LEU A 159 -0.491 -4.772 -8.468 1.00 0.00 C ATOM 267 CD1 LEU A 159 0.465 -3.859 -9.238 1.00 0.00 C ATOM 268 CD2 LEU A 159 -1.758 -5.080 -9.269 1.00 0.00 C ATOM 269 OXT LEU A 159 0.966 -8.110 -5.284 1.00 0.00 O ATOM 0 H LEU A 159 2.550 -6.914 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 159 0.211 -5.245 -6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 159 1.096 -6.195 -8.655 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -0.455 -6.899 -8.240 1.00 0.00 H new ATOM 0 HG LEU A 159 -0.799 -4.233 -7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -0.059 -2.951 -9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 159 1.311 -3.599 -8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 159 0.825 -4.377 -10.127 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -2.237 -4.147 -9.565 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -1.496 -5.652 -10.159 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -2.445 -5.661 -8.654 1.00 0.00 H new TER 282 LEU A 159