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 21:sc= 1.23 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 158 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.8) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 140 -22.269 7.169 2.718 1.00 0.00 C HETATM 2 O ACE A 140 -21.694 8.044 3.364 1.00 0.00 O HETATM 3 CH3 ACE A 140 -21.687 6.664 1.443 1.00 0.00 C HETATM 0 H1 ACE A 140 -21.497 5.594 1.528 1.00 0.00 H new HETATM 0 H2 ACE A 140 -22.387 6.844 0.627 1.00 0.00 H new HETATM 0 H3 ACE A 140 -20.751 7.184 1.239 1.00 0.00 H new ATOM 7 N GLY A 141 -23.416 6.608 3.072 1.00 0.00 N ATOM 8 CA GLY A 141 -24.098 7.002 4.292 1.00 0.00 C ATOM 9 C GLY A 141 -24.938 5.851 4.849 1.00 0.00 C ATOM 10 O GLY A 141 -26.162 5.859 4.734 1.00 0.00 O ATOM 0 H GLY A 141 -23.890 5.883 2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -23.366 7.316 5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -24.739 7.861 4.093 1.00 0.00 H new ATOM 14 N SER A 142 -24.246 4.888 5.440 1.00 0.00 N ATOM 15 CA SER A 142 -24.912 3.731 6.014 1.00 0.00 C ATOM 16 C SER A 142 -23.935 2.946 6.890 1.00 0.00 C ATOM 17 O SER A 142 -23.686 1.767 6.645 1.00 0.00 O ATOM 18 CB SER A 142 -25.489 2.829 4.921 1.00 0.00 C ATOM 19 OG SER A 142 -26.767 3.277 4.478 1.00 0.00 O ATOM 0 H SER A 142 -23.230 4.885 5.534 1.00 0.00 H new ATOM 0 HA SER A 142 -25.739 4.083 6.630 1.00 0.00 H new ATOM 0 HB2 SER A 142 -24.802 2.800 4.075 1.00 0.00 H new ATOM 0 HB3 SER A 142 -25.573 1.810 5.299 1.00 0.00 H new ATOM 0 HG SER A 142 -26.880 4.223 4.709 1.00 0.00 H new ATOM 25 N GLY A 143 -23.408 3.631 7.894 1.00 0.00 N ATOM 26 CA GLY A 143 -22.463 3.012 8.809 1.00 0.00 C ATOM 27 C GLY A 143 -21.032 3.455 8.501 1.00 0.00 C ATOM 28 O GLY A 143 -20.678 4.615 8.710 1.00 0.00 O ATOM 0 H GLY A 143 -23.617 4.609 8.094 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -22.717 3.278 9.835 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -22.536 1.927 8.734 1.00 0.00 H new ATOM 32 N VAL A 144 -20.246 2.508 8.009 1.00 0.00 N ATOM 33 CA VAL A 144 -18.861 2.786 7.670 1.00 0.00 C ATOM 34 C VAL A 144 -18.173 1.487 7.246 1.00 0.00 C ATOM 35 O VAL A 144 -18.044 0.560 8.043 1.00 0.00 O ATOM 36 CB VAL A 144 -18.163 3.476 8.845 1.00 0.00 C ATOM 37 CG1 VAL A 144 -18.144 4.994 8.656 1.00 0.00 C ATOM 38 CG2 VAL A 144 -18.821 3.096 10.173 1.00 0.00 C ATOM 0 H VAL A 144 -20.542 1.547 7.837 1.00 0.00 H new ATOM 0 HA VAL A 144 -18.805 3.474 6.826 1.00 0.00 H new ATOM 0 HB VAL A 144 -17.130 3.129 8.872 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -17.643 5.460 9.504 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -17.609 5.240 7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -19.167 5.365 8.590 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -18.306 3.599 10.991 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -19.868 3.400 10.161 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -18.759 2.017 10.314 1.00 0.00 H new ATOM 48 N ARG A 145 -17.751 1.462 5.990 1.00 0.00 N ATOM 49 CA ARG A 145 -17.080 0.292 5.450 1.00 0.00 C ATOM 50 C ARG A 145 -15.854 -0.056 6.297 1.00 0.00 C ATOM 51 O ARG A 145 -14.836 0.631 6.233 1.00 0.00 O ATOM 52 CB ARG A 145 -16.641 0.527 4.003 1.00 0.00 C ATOM 53 CG ARG A 145 -16.865 -0.725 3.152 1.00 0.00 C ATOM 54 CD ARG A 145 -16.640 -0.426 1.668 1.00 0.00 C ATOM 55 NE ARG A 145 -17.291 -1.465 0.839 1.00 0.00 N ATOM 56 CZ ARG A 145 -16.830 -2.727 0.708 1.00 0.00 C ATOM 57 NH1 ARG A 145 -15.711 -3.118 1.353 1.00 0.00 N ATOM 58 NH2 ARG A 145 -17.491 -3.573 -0.060 1.00 0.00 N ATOM 0 H ARG A 145 -17.861 2.233 5.331 1.00 0.00 H new ATOM 0 HA ARG A 145 -17.789 -0.536 5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -17.199 1.363 3.581 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -15.587 0.803 3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -16.186 -1.515 3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -17.879 -1.095 3.303 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -17.045 0.555 1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -15.572 -0.393 1.453 1.00 0.00 H new ATOM 0 HE ARG A 145 -18.141 -1.212 0.335 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -15.207 -2.458 1.945 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -15.370 -4.073 1.248 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -18.336 -3.269 -0.543 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -17.156 -4.530 -0.170 1.00 0.00 H new ATOM 71 N GLY A 146 -15.993 -1.122 7.072 1.00 0.00 N ATOM 72 CA GLY A 146 -14.910 -1.568 7.931 1.00 0.00 C ATOM 73 C GLY A 146 -14.568 -0.507 8.979 1.00 0.00 C ATOM 74 O GLY A 146 -15.461 0.078 9.589 1.00 0.00 O ATOM 0 H GLY A 146 -16.839 -1.689 7.123 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -15.194 -2.496 8.427 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -14.029 -1.785 7.328 1.00 0.00 H new ATOM 78 N ASP A 147 -13.272 -0.292 9.156 1.00 0.00 N ATOM 79 CA ASP A 147 -12.801 0.688 10.119 1.00 0.00 C ATOM 80 C ASP A 147 -11.474 1.275 9.635 1.00 0.00 C ATOM 81 O ASP A 147 -10.780 0.665 8.824 1.00 0.00 O ATOM 82 CB ASP A 147 -12.563 0.045 11.487 1.00 0.00 C ATOM 83 CG ASP A 147 -13.610 0.381 12.551 1.00 0.00 C ATOM 84 OD1 ASP A 147 -14.655 -0.281 12.649 1.00 0.00 O ATOM 85 OD2 ASP A 147 -13.316 1.381 13.309 1.00 0.00 O ATOM 0 H ASP A 147 -12.534 -0.780 8.648 1.00 0.00 H new ATOM 0 HA ASP A 147 -13.562 1.463 10.212 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -12.529 -1.037 11.362 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -11.584 0.355 11.852 1.00 0.00 H new ATOM 91 N PHE A 148 -11.161 2.454 10.154 1.00 0.00 N ATOM 92 CA PHE A 148 -9.929 3.131 9.785 1.00 0.00 C ATOM 93 C PHE A 148 -8.712 2.248 10.070 1.00 0.00 C ATOM 94 O PHE A 148 -8.712 1.475 11.027 1.00 0.00 O ATOM 95 CB PHE A 148 -9.839 4.395 10.642 1.00 0.00 C ATOM 96 CG PHE A 148 -10.588 5.595 10.060 1.00 0.00 C ATOM 97 CD1 PHE A 148 -11.935 5.536 9.883 1.00 0.00 C ATOM 98 CD2 PHE A 148 -9.907 6.722 9.721 1.00 0.00 C ATOM 99 CE1 PHE A 148 -12.630 6.651 9.343 1.00 0.00 C ATOM 100 CE2 PHE A 148 -10.601 7.837 9.181 1.00 0.00 C ATOM 101 CZ PHE A 148 -11.948 7.777 9.003 1.00 0.00 C ATOM 0 H PHE A 148 -11.739 2.957 10.827 1.00 0.00 H new ATOM 0 HA PHE A 148 -9.936 3.362 8.720 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -10.236 4.178 11.634 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -8.790 4.661 10.769 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -12.476 4.641 10.153 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -8.837 6.769 9.863 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -13.700 6.604 9.203 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -10.060 8.732 8.912 1.00 0.00 H new ATOM 0 HZ PHE A 148 -12.476 8.624 8.591 1.00 0.00 H new ATOM 111 N GLY A 149 -7.705 2.393 9.221 1.00 0.00 N ATOM 112 CA GLY A 149 -6.484 1.618 9.369 1.00 0.00 C ATOM 113 C GLY A 149 -5.269 2.535 9.523 1.00 0.00 C ATOM 114 O GLY A 149 -5.210 3.343 10.448 1.00 0.00 O ATOM 0 H GLY A 149 -7.709 3.035 8.429 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -6.565 0.967 10.239 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -6.350 0.974 8.500 1.00 0.00 H new ATOM 118 N SER A 150 -4.329 2.378 8.602 1.00 0.00 N ATOM 119 CA SER A 150 -3.119 3.181 8.624 1.00 0.00 C ATOM 120 C SER A 150 -2.533 3.283 7.214 1.00 0.00 C ATOM 121 O SER A 150 -2.759 2.408 6.379 1.00 0.00 O ATOM 122 CB SER A 150 -2.085 2.594 9.587 1.00 0.00 C ATOM 123 OG SER A 150 -1.922 1.190 9.404 1.00 0.00 O ATOM 0 H SER A 150 -4.381 1.706 7.836 1.00 0.00 H new ATOM 0 HA SER A 150 -3.378 4.179 8.977 1.00 0.00 H new ATOM 0 HB2 SER A 150 -1.127 3.093 9.439 1.00 0.00 H new ATOM 0 HB3 SER A 150 -2.392 2.793 10.614 1.00 0.00 H new ATOM 0 HG SER A 150 -1.253 0.853 10.036 1.00 0.00 H new ATOM 129 N LEU A 151 -1.792 4.359 6.992 1.00 0.00 N ATOM 130 CA LEU A 151 -1.172 4.586 5.697 1.00 0.00 C ATOM 131 C LEU A 151 -0.062 3.556 5.480 1.00 0.00 C ATOM 132 O LEU A 151 0.486 3.017 6.441 1.00 0.00 O ATOM 133 CB LEU A 151 -0.698 6.036 5.578 1.00 0.00 C ATOM 134 CG LEU A 151 0.788 6.280 5.850 1.00 0.00 C ATOM 135 CD1 LEU A 151 1.263 5.475 7.061 1.00 0.00 C ATOM 136 CD2 LEU A 151 1.628 5.992 4.604 1.00 0.00 C ATOM 0 H LEU A 151 -1.607 5.083 7.686 1.00 0.00 H new ATOM 0 HA LEU A 151 -1.898 4.445 4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -0.926 6.391 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -1.279 6.645 6.271 1.00 0.00 H new ATOM 0 HG LEU A 151 0.923 7.334 6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 151 2.322 5.667 7.232 1.00 0.00 H new ATOM 0 HD12 LEU A 151 0.693 5.772 7.942 1.00 0.00 H new ATOM 0 HD13 LEU A 151 1.112 4.412 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 151 2.680 6.173 4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 151 1.493 4.952 4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 151 1.310 6.645 3.792 1.00 0.00 H new ATOM 148 N ALA A 152 0.237 3.314 4.213 1.00 0.00 N ATOM 149 CA ALA A 152 1.272 2.358 3.857 1.00 0.00 C ATOM 150 C ALA A 152 2.232 3.001 2.855 1.00 0.00 C ATOM 151 O ALA A 152 2.054 4.157 2.473 1.00 0.00 O ATOM 152 CB ALA A 152 0.625 1.084 3.310 1.00 0.00 C ATOM 0 H ALA A 152 -0.219 3.763 3.419 1.00 0.00 H new ATOM 0 HA ALA A 152 1.853 2.077 4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 152 1.402 0.367 3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -0.024 0.650 4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 152 0.035 1.326 2.426 1.00 0.00 H new ATOM 158 N PRO A 153 3.256 2.204 2.446 1.00 0.00 N ATOM 159 CA PRO A 153 4.244 2.684 1.495 1.00 0.00 C ATOM 160 C PRO A 153 3.667 2.727 0.079 1.00 0.00 C ATOM 161 O PRO A 153 2.494 2.417 -0.127 1.00 0.00 O ATOM 162 CB PRO A 153 5.417 1.727 1.630 1.00 0.00 C ATOM 163 CG PRO A 153 4.864 0.483 2.307 1.00 0.00 C ATOM 164 CD PRO A 153 3.498 0.831 2.877 1.00 0.00 C ATOM 0 HA PRO A 153 4.558 3.708 1.695 1.00 0.00 H new ATOM 0 HB2 PRO A 153 5.839 1.486 0.654 1.00 0.00 H new ATOM 0 HB3 PRO A 153 6.217 2.171 2.222 1.00 0.00 H new ATOM 0 HG2 PRO A 153 4.782 -0.336 1.592 1.00 0.00 H new ATOM 0 HG3 PRO A 153 5.534 0.149 3.099 1.00 0.00 H new ATOM 0 HD2 PRO A 153 2.729 0.157 2.501 1.00 0.00 H new ATOM 0 HD3 PRO A 153 3.490 0.750 3.964 1.00 0.00 H new ATOM 172 N ARG A 154 4.517 3.115 -0.861 1.00 0.00 N ATOM 173 CA ARG A 154 4.106 3.202 -2.252 1.00 0.00 C ATOM 174 C ARG A 154 5.005 2.327 -3.127 1.00 0.00 C ATOM 175 O ARG A 154 5.871 2.837 -3.837 1.00 0.00 O ATOM 176 CB ARG A 154 4.165 4.646 -2.754 1.00 0.00 C ATOM 177 CG ARG A 154 2.788 5.309 -2.682 1.00 0.00 C ATOM 178 CD ARG A 154 2.912 6.794 -2.336 1.00 0.00 C ATOM 179 NE ARG A 154 1.567 7.392 -2.180 1.00 0.00 N ATOM 180 CZ ARG A 154 0.872 7.399 -1.022 1.00 0.00 C ATOM 181 NH1 ARG A 154 1.391 6.841 0.092 1.00 0.00 N ATOM 182 NH2 ARG A 154 -0.322 7.961 -0.997 1.00 0.00 N ATOM 0 H ARG A 154 5.488 3.373 -0.686 1.00 0.00 H new ATOM 0 HA ARG A 154 3.077 2.849 -2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 154 4.878 5.214 -2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 154 4.527 4.663 -3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 154 2.276 5.196 -3.637 1.00 0.00 H new ATOM 0 HG3 ARG A 154 2.177 4.807 -1.932 1.00 0.00 H new ATOM 0 HD2 ARG A 154 3.482 6.915 -1.415 1.00 0.00 H new ATOM 0 HD3 ARG A 154 3.461 7.314 -3.121 1.00 0.00 H new ATOM 0 HE ARG A 154 1.138 7.826 -2.998 1.00 0.00 H new ATOM 0 HH11 ARG A 154 2.315 6.410 0.063 1.00 0.00 H new ATOM 0 HH12 ARG A 154 0.859 6.851 0.962 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -0.706 8.381 -1.844 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -0.861 7.975 -0.131 1.00 0.00 H new ATOM 195 N VAL A 155 4.769 1.026 -3.047 1.00 0.00 N ATOM 196 CA VAL A 155 5.548 0.076 -3.824 1.00 0.00 C ATOM 197 C VAL A 155 4.911 -0.090 -5.205 1.00 0.00 C ATOM 198 O VAL A 155 3.906 0.550 -5.510 1.00 0.00 O ATOM 199 CB VAL A 155 5.674 -1.245 -3.061 1.00 0.00 C ATOM 200 CG1 VAL A 155 5.520 -1.024 -1.554 1.00 0.00 C ATOM 201 CG2 VAL A 155 4.660 -2.271 -3.571 1.00 0.00 C ATOM 0 H VAL A 155 4.050 0.607 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 155 6.562 0.447 -3.976 1.00 0.00 H new ATOM 0 HB VAL A 155 6.673 -1.643 -3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 155 5.614 -1.978 -1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 155 6.296 -0.343 -1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 155 4.540 -0.593 -1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 155 4.771 -3.200 -3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 155 3.650 -1.884 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 155 4.836 -2.461 -4.630 1.00 0.00 H new ATOM 211 N ALA A 156 5.523 -0.953 -6.003 1.00 0.00 N ATOM 212 CA ALA A 156 5.028 -1.212 -7.345 1.00 0.00 C ATOM 213 C ALA A 156 5.154 -2.705 -7.651 1.00 0.00 C ATOM 214 O ALA A 156 4.219 -3.318 -8.166 1.00 0.00 O ATOM 215 CB ALA A 156 5.794 -0.345 -8.347 1.00 0.00 C ATOM 0 H ALA A 156 6.357 -1.482 -5.746 1.00 0.00 H new ATOM 0 HA ALA A 156 3.973 -0.947 -7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 156 5.423 -0.539 -9.354 1.00 0.00 H new ATOM 0 HB2 ALA A 156 5.649 0.707 -8.103 1.00 0.00 H new ATOM 0 HB3 ALA A 156 6.856 -0.585 -8.299 1.00 0.00 H new ATOM 221 N ARG A 157 6.316 -3.249 -7.321 1.00 0.00 N ATOM 222 CA ARG A 157 6.576 -4.659 -7.555 1.00 0.00 C ATOM 223 C ARG A 157 5.343 -5.492 -7.199 1.00 0.00 C ATOM 224 O ARG A 157 5.128 -6.563 -7.765 1.00 0.00 O ATOM 225 CB ARG A 157 7.767 -5.144 -6.726 1.00 0.00 C ATOM 226 CG ARG A 157 7.813 -6.673 -6.676 1.00 0.00 C ATOM 227 CD ARG A 157 9.048 -7.159 -5.914 1.00 0.00 C ATOM 228 NE ARG A 157 9.753 -8.195 -6.701 1.00 0.00 N ATOM 229 CZ ARG A 157 10.748 -8.968 -6.216 1.00 0.00 C ATOM 230 NH1 ARG A 157 11.164 -8.828 -4.939 1.00 0.00 N ATOM 231 NH2 ARG A 157 11.308 -9.862 -7.009 1.00 0.00 N ATOM 0 H ARG A 157 7.088 -2.738 -6.893 1.00 0.00 H new ATOM 0 HA ARG A 157 6.809 -4.782 -8.613 1.00 0.00 H new ATOM 0 HB2 ARG A 157 8.693 -4.762 -7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 157 7.697 -4.745 -5.714 1.00 0.00 H new ATOM 0 HG2 ARG A 157 6.912 -7.052 -6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 157 7.826 -7.074 -7.690 1.00 0.00 H new ATOM 0 HD2 ARG A 157 9.717 -6.321 -5.718 1.00 0.00 H new ATOM 0 HD3 ARG A 157 8.752 -7.564 -4.946 1.00 0.00 H new ATOM 0 HE ARG A 157 9.469 -8.334 -7.671 1.00 0.00 H new ATOM 0 HH11 ARG A 157 10.726 -8.134 -4.333 1.00 0.00 H new ATOM 0 HH12 ARG A 157 11.916 -9.416 -4.580 1.00 0.00 H new ATOM 0 HH21 ARG A 157 10.988 -9.961 -7.972 1.00 0.00 H new ATOM 0 HH22 ARG A 157 12.061 -10.454 -6.659 1.00 0.00 H new ATOM 244 N GLN A 158 4.565 -4.969 -6.263 1.00 0.00 N ATOM 245 CA GLN A 158 3.359 -5.650 -5.825 1.00 0.00 C ATOM 246 C GLN A 158 2.321 -4.635 -5.342 1.00 0.00 C ATOM 247 O GLN A 158 2.672 -3.624 -4.736 1.00 0.00 O ATOM 248 CB GLN A 158 3.674 -6.675 -4.733 1.00 0.00 C ATOM 249 CG GLN A 158 3.751 -6.005 -3.359 1.00 0.00 C ATOM 250 CD GLN A 158 2.445 -6.190 -2.584 1.00 0.00 C ATOM 251 OE1 GLN A 158 1.880 -7.269 -2.517 1.00 0.00 O ATOM 252 NE2 GLN A 158 1.998 -5.079 -2.005 1.00 0.00 N ATOM 0 H GLN A 158 4.747 -4.081 -5.796 1.00 0.00 H new ATOM 0 HA GLN A 158 2.941 -6.190 -6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 158 2.906 -7.448 -4.722 1.00 0.00 H new ATOM 0 HB3 GLN A 158 4.620 -7.169 -4.955 1.00 0.00 H new ATOM 0 HG2 GLN A 158 4.579 -6.428 -2.790 1.00 0.00 H new ATOM 0 HG3 GLN A 158 3.959 -4.942 -3.480 1.00 0.00 H new ATOM 0 HE21 GLN A 158 2.520 -4.208 -2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 158 1.133 -5.098 -1.465 1.00 0.00 H new ATOM 261 N LEU A 159 1.064 -4.941 -5.628 1.00 0.00 N ATOM 262 CA LEU A 159 -0.028 -4.067 -5.230 1.00 0.00 C ATOM 263 C LEU A 159 -0.696 -4.632 -3.975 1.00 0.00 C ATOM 264 O LEU A 159 -1.635 -4.040 -3.447 1.00 0.00 O ATOM 265 CB LEU A 159 -0.994 -3.852 -6.397 1.00 0.00 C ATOM 266 CG LEU A 159 -1.782 -5.082 -6.851 1.00 0.00 C ATOM 267 CD1 LEU A 159 -3.252 -4.733 -7.092 1.00 0.00 C ATOM 268 CD2 LEU A 159 -1.137 -5.724 -8.080 1.00 0.00 C ATOM 269 OXT LEU A 159 -0.198 -5.742 -3.545 1.00 0.00 O ATOM 0 H LEU A 159 0.777 -5.781 -6.130 1.00 0.00 H new ATOM 0 HA LEU A 159 0.350 -3.078 -4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -1.704 -3.074 -6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -0.427 -3.474 -7.248 1.00 0.00 H new ATOM 0 HG LEU A 159 -1.753 -5.820 -6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -3.790 -5.625 -7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -3.693 -4.357 -6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -3.322 -3.968 -7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -1.717 -6.596 -8.382 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -1.114 -5.003 -8.897 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -0.119 -6.031 -7.838 1.00 0.00 H new TER 282 LEU A 159