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= -0.121 K(o=-0.12,f=-0.76) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 140 -1.337 12.727 32.699 1.00 0.00 C HETATM 2 O ACE A 140 -0.628 13.627 33.145 1.00 0.00 O HETATM 3 CH3 ACE A 140 -1.600 11.501 33.505 1.00 0.00 C HETATM 0 H1 ACE A 140 -2.672 11.402 33.678 1.00 0.00 H new HETATM 0 H2 ACE A 140 -1.238 10.626 32.965 1.00 0.00 H new HETATM 0 H3 ACE A 140 -1.083 11.577 34.462 1.00 0.00 H new ATOM 7 N GLY A 141 -1.915 12.748 31.507 1.00 0.00 N ATOM 8 CA GLY A 141 -1.745 13.880 30.612 1.00 0.00 C ATOM 9 C GLY A 141 -1.214 13.429 29.250 1.00 0.00 C ATOM 10 O GLY A 141 -1.886 13.590 28.233 1.00 0.00 O ATOM 0 H GLY A 141 -2.502 11.999 31.140 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -2.699 14.392 30.483 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -1.055 14.598 31.055 1.00 0.00 H new ATOM 14 N SER A 142 -0.011 12.873 29.275 1.00 0.00 N ATOM 15 CA SER A 142 0.618 12.397 28.055 1.00 0.00 C ATOM 16 C SER A 142 0.013 11.053 27.644 1.00 0.00 C ATOM 17 O SER A 142 0.721 10.052 27.551 1.00 0.00 O ATOM 18 CB SER A 142 2.132 12.265 28.230 1.00 0.00 C ATOM 19 OG SER A 142 2.822 12.334 26.986 1.00 0.00 O ATOM 0 H SER A 142 0.544 12.742 30.121 1.00 0.00 H new ATOM 0 HA SER A 142 0.433 13.128 27.268 1.00 0.00 H new ATOM 0 HB2 SER A 142 2.491 13.056 28.888 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.359 11.317 28.718 1.00 0.00 H new ATOM 0 HG SER A 142 3.786 12.247 27.141 1.00 0.00 H new ATOM 25 N GLY A 143 -1.291 11.074 27.408 1.00 0.00 N ATOM 26 CA GLY A 143 -1.999 9.870 27.009 1.00 0.00 C ATOM 27 C GLY A 143 -2.082 9.762 25.485 1.00 0.00 C ATOM 28 O GLY A 143 -1.137 10.118 24.782 1.00 0.00 O ATOM 0 H GLY A 143 -1.875 11.906 27.486 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -1.490 8.994 27.412 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -3.004 9.878 27.432 1.00 0.00 H new ATOM 32 N VAL A 144 -3.220 9.268 25.020 1.00 0.00 N ATOM 33 CA VAL A 144 -3.438 9.108 23.592 1.00 0.00 C ATOM 34 C VAL A 144 -4.778 8.408 23.360 1.00 0.00 C ATOM 35 O VAL A 144 -4.959 7.259 23.761 1.00 0.00 O ATOM 36 CB VAL A 144 -2.258 8.364 22.963 1.00 0.00 C ATOM 37 CG1 VAL A 144 -1.260 9.344 22.342 1.00 0.00 C ATOM 38 CG2 VAL A 144 -1.571 7.459 23.987 1.00 0.00 C ATOM 0 H VAL A 144 -4.001 8.973 25.606 1.00 0.00 H new ATOM 0 HA VAL A 144 -3.491 10.080 23.102 1.00 0.00 H new ATOM 0 HB VAL A 144 -2.648 7.732 22.165 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -0.431 8.789 21.902 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -1.757 9.928 21.568 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.880 10.014 23.113 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.736 6.942 23.514 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -1.201 8.063 24.816 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -2.285 6.726 24.362 1.00 0.00 H new ATOM 48 N ARG A 145 -5.683 9.129 22.715 1.00 0.00 N ATOM 49 CA ARG A 145 -7.001 8.592 22.425 1.00 0.00 C ATOM 50 C ARG A 145 -7.720 9.473 21.402 1.00 0.00 C ATOM 51 O ARG A 145 -8.148 10.580 21.723 1.00 0.00 O ATOM 52 CB ARG A 145 -7.850 8.500 23.695 1.00 0.00 C ATOM 53 CG ARG A 145 -7.979 7.050 24.165 1.00 0.00 C ATOM 54 CD ARG A 145 -9.421 6.556 24.030 1.00 0.00 C ATOM 55 NE ARG A 145 -9.994 6.297 25.370 1.00 0.00 N ATOM 56 CZ ARG A 145 -9.591 5.300 26.186 1.00 0.00 C ATOM 57 NH1 ARG A 145 -8.607 4.458 25.804 1.00 0.00 N ATOM 58 NH2 ARG A 145 -10.173 5.160 27.362 1.00 0.00 N ATOM 0 H ARG A 145 -5.529 10.082 22.385 1.00 0.00 H new ATOM 0 HA ARG A 145 -6.868 7.590 22.017 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -7.398 9.103 24.483 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -8.840 8.914 23.505 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -7.316 6.414 23.579 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -7.660 6.971 25.204 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -10.021 7.300 23.506 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -9.448 5.645 23.432 1.00 0.00 H new ATOM 0 HE ARG A 145 -10.740 6.910 25.697 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -8.163 4.573 24.893 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -8.308 3.707 26.426 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -10.916 5.800 27.643 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -9.880 4.412 27.990 1.00 0.00 H new ATOM 71 N GLY A 146 -7.831 8.947 20.190 1.00 0.00 N ATOM 72 CA GLY A 146 -8.491 9.672 19.118 1.00 0.00 C ATOM 73 C GLY A 146 -8.634 8.796 17.871 1.00 0.00 C ATOM 74 O GLY A 146 -8.870 7.594 17.977 1.00 0.00 O ATOM 0 H GLY A 146 -7.475 8.028 19.928 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -9.475 10.002 19.450 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -7.920 10.568 18.874 1.00 0.00 H new ATOM 78 N ASP A 147 -8.485 9.433 16.719 1.00 0.00 N ATOM 79 CA ASP A 147 -8.595 8.727 15.454 1.00 0.00 C ATOM 80 C ASP A 147 -7.429 7.745 15.320 1.00 0.00 C ATOM 81 O ASP A 147 -6.437 7.852 16.040 1.00 0.00 O ATOM 82 CB ASP A 147 -8.532 9.699 14.274 1.00 0.00 C ATOM 83 CG ASP A 147 -9.646 9.531 13.239 1.00 0.00 C ATOM 84 OD1 ASP A 147 -9.389 9.205 12.070 1.00 0.00 O ATOM 85 OD2 ASP A 147 -10.838 9.754 13.679 1.00 0.00 O ATOM 0 H ASP A 147 -8.289 10.430 16.635 1.00 0.00 H new ATOM 0 HA ASP A 147 -9.552 8.205 15.441 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -8.565 10.718 14.660 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -7.571 9.579 13.774 1.00 0.00 H new ATOM 91 N PHE A 148 -7.588 6.811 14.394 1.00 0.00 N ATOM 92 CA PHE A 148 -6.561 5.811 14.157 1.00 0.00 C ATOM 93 C PHE A 148 -6.494 5.435 12.675 1.00 0.00 C ATOM 94 O PHE A 148 -7.439 5.676 11.927 1.00 0.00 O ATOM 95 CB PHE A 148 -6.948 4.572 14.967 1.00 0.00 C ATOM 96 CG PHE A 148 -6.948 4.794 16.481 1.00 0.00 C ATOM 97 CD1 PHE A 148 -5.825 5.243 17.103 1.00 0.00 C ATOM 98 CD2 PHE A 148 -8.072 4.543 17.205 1.00 0.00 C ATOM 99 CE1 PHE A 148 -5.826 5.449 18.508 1.00 0.00 C ATOM 100 CE2 PHE A 148 -8.073 4.749 18.610 1.00 0.00 C ATOM 101 CZ PHE A 148 -6.949 5.198 19.232 1.00 0.00 C ATOM 0 H PHE A 148 -8.412 6.726 13.799 1.00 0.00 H new ATOM 0 HA PHE A 148 -5.587 6.202 14.450 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -7.940 4.244 14.658 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -6.257 3.764 14.728 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -4.933 5.443 16.528 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -8.964 4.187 16.711 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -4.934 5.805 19.002 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -8.965 4.549 19.185 1.00 0.00 H new ATOM 0 HZ PHE A 148 -6.949 5.355 20.301 1.00 0.00 H new ATOM 111 N GLY A 149 -5.366 4.852 12.296 1.00 0.00 N ATOM 112 CA GLY A 149 -5.162 4.441 10.918 1.00 0.00 C ATOM 113 C GLY A 149 -3.925 5.116 10.321 1.00 0.00 C ATOM 114 O GLY A 149 -3.846 6.342 10.269 1.00 0.00 O ATOM 0 H GLY A 149 -4.584 4.655 12.920 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -5.048 3.358 10.871 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -6.041 4.695 10.325 1.00 0.00 H new ATOM 118 N SER A 150 -2.989 4.284 9.887 1.00 0.00 N ATOM 119 CA SER A 150 -1.760 4.785 9.296 1.00 0.00 C ATOM 120 C SER A 150 -1.813 4.641 7.774 1.00 0.00 C ATOM 121 O SER A 150 -2.658 3.919 7.245 1.00 0.00 O ATOM 122 CB SER A 150 -0.540 4.049 9.856 1.00 0.00 C ATOM 123 OG SER A 150 0.056 4.754 10.942 1.00 0.00 O ATOM 0 H SER A 150 -3.057 3.267 9.933 1.00 0.00 H new ATOM 0 HA SER A 150 -1.664 5.840 9.551 1.00 0.00 H new ATOM 0 HB2 SER A 150 -0.838 3.055 10.189 1.00 0.00 H new ATOM 0 HB3 SER A 150 0.197 3.913 9.064 1.00 0.00 H new ATOM 0 HG SER A 150 0.830 4.252 11.273 1.00 0.00 H new ATOM 129 N LEU A 151 -0.901 5.338 7.113 1.00 0.00 N ATOM 130 CA LEU A 151 -0.835 5.297 5.662 1.00 0.00 C ATOM 131 C LEU A 151 -0.429 3.891 5.214 1.00 0.00 C ATOM 132 O LEU A 151 0.184 3.146 5.976 1.00 0.00 O ATOM 133 CB LEU A 151 0.087 6.399 5.136 1.00 0.00 C ATOM 134 CG LEU A 151 -0.380 7.836 5.377 1.00 0.00 C ATOM 135 CD1 LEU A 151 0.797 8.741 5.746 1.00 0.00 C ATOM 136 CD2 LEU A 151 -1.157 8.369 4.171 1.00 0.00 C ATOM 0 H LEU A 151 -0.202 5.934 7.555 1.00 0.00 H new ATOM 0 HA LEU A 151 -1.815 5.500 5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 151 1.068 6.275 5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 151 0.217 6.255 4.063 1.00 0.00 H new ATOM 0 HG LEU A 151 -1.063 7.835 6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 151 0.437 9.756 5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 151 1.270 8.370 6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 151 1.524 8.742 4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -1.478 9.392 4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -0.516 8.353 3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -2.031 7.742 3.996 1.00 0.00 H new ATOM 148 N ALA A 152 -0.789 3.571 3.980 1.00 0.00 N ATOM 149 CA ALA A 152 -0.471 2.268 3.422 1.00 0.00 C ATOM 150 C ALA A 152 0.955 2.289 2.869 1.00 0.00 C ATOM 151 O ALA A 152 1.636 3.312 2.936 1.00 0.00 O ATOM 152 CB ALA A 152 -1.505 1.903 2.354 1.00 0.00 C ATOM 0 H ALA A 152 -1.298 4.192 3.351 1.00 0.00 H new ATOM 0 HA ALA A 152 -0.514 1.500 4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -1.266 0.925 1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -2.497 1.873 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -1.489 2.651 1.561 1.00 0.00 H new ATOM 158 N PRO A 153 1.377 1.118 2.321 1.00 0.00 N ATOM 159 CA PRO A 153 2.710 0.993 1.757 1.00 0.00 C ATOM 160 C PRO A 153 2.801 1.700 0.402 1.00 0.00 C ATOM 161 O PRO A 153 1.781 2.034 -0.197 1.00 0.00 O ATOM 162 CB PRO A 153 2.959 -0.503 1.664 1.00 0.00 C ATOM 163 CG PRO A 153 1.590 -1.159 1.741 1.00 0.00 C ATOM 164 CD PRO A 153 0.599 -0.113 2.224 1.00 0.00 C ATOM 0 HA PRO A 153 3.473 1.473 2.370 1.00 0.00 H new ATOM 0 HB2 PRO A 153 3.462 -0.758 0.731 1.00 0.00 H new ATOM 0 HB3 PRO A 153 3.601 -0.843 2.476 1.00 0.00 H new ATOM 0 HG2 PRO A 153 1.295 -1.542 0.764 1.00 0.00 H new ATOM 0 HG3 PRO A 153 1.612 -2.009 2.424 1.00 0.00 H new ATOM 0 HD2 PRO A 153 -0.231 -0.003 1.527 1.00 0.00 H new ATOM 0 HD3 PRO A 153 0.171 -0.388 3.188 1.00 0.00 H new ATOM 172 N ARG A 154 4.033 1.906 -0.040 1.00 0.00 N ATOM 173 CA ARG A 154 4.270 2.567 -1.312 1.00 0.00 C ATOM 174 C ARG A 154 5.151 1.693 -2.208 1.00 0.00 C ATOM 175 O ARG A 154 6.342 1.956 -2.360 1.00 0.00 O ATOM 176 CB ARG A 154 4.948 3.923 -1.110 1.00 0.00 C ATOM 177 CG ARG A 154 6.134 3.807 -0.150 1.00 0.00 C ATOM 178 CD ARG A 154 6.831 5.157 0.027 1.00 0.00 C ATOM 179 NE ARG A 154 8.060 4.990 0.834 1.00 0.00 N ATOM 180 CZ ARG A 154 9.093 5.859 0.829 1.00 0.00 C ATOM 181 NH1 ARG A 154 9.053 6.967 0.057 1.00 0.00 N ATOM 182 NH2 ARG A 154 10.143 5.611 1.589 1.00 0.00 N ATOM 0 H ARG A 154 4.877 1.627 0.460 1.00 0.00 H new ATOM 0 HA ARG A 154 3.303 2.725 -1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 154 5.290 4.309 -2.070 1.00 0.00 H new ATOM 0 HB3 ARG A 154 4.226 4.639 -0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 154 5.789 3.442 0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 154 6.845 3.074 -0.532 1.00 0.00 H new ATOM 0 HD2 ARG A 154 7.080 5.577 -0.947 1.00 0.00 H new ATOM 0 HD3 ARG A 154 6.158 5.862 0.516 1.00 0.00 H new ATOM 0 HE ARG A 154 8.131 4.166 1.432 1.00 0.00 H new ATOM 0 HH11 ARG A 154 8.238 7.152 -0.528 1.00 0.00 H new ATOM 0 HH12 ARG A 154 9.838 7.619 0.059 1.00 0.00 H new ATOM 0 HH21 ARG A 154 10.166 4.772 2.169 1.00 0.00 H new ATOM 0 HH22 ARG A 154 10.932 6.258 1.596 1.00 0.00 H new ATOM 195 N VAL A 155 4.530 0.670 -2.777 1.00 0.00 N ATOM 196 CA VAL A 155 5.242 -0.244 -3.654 1.00 0.00 C ATOM 197 C VAL A 155 5.085 0.220 -5.103 1.00 0.00 C ATOM 198 O VAL A 155 4.444 1.236 -5.368 1.00 0.00 O ATOM 199 CB VAL A 155 4.751 -1.675 -3.427 1.00 0.00 C ATOM 200 CG1 VAL A 155 4.154 -1.835 -2.028 1.00 0.00 C ATOM 201 CG2 VAL A 155 3.743 -2.086 -4.503 1.00 0.00 C ATOM 0 H VAL A 155 3.542 0.454 -2.648 1.00 0.00 H new ATOM 0 HA VAL A 155 6.308 -0.240 -3.426 1.00 0.00 H new ATOM 0 HB VAL A 155 5.612 -2.340 -3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 155 3.813 -2.861 -1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 155 4.912 -1.603 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 155 3.311 -1.154 -1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 155 3.410 -3.107 -4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 155 2.886 -1.414 -4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 155 4.215 -2.030 -5.484 1.00 0.00 H new ATOM 211 N ALA A 156 5.680 -0.548 -6.004 1.00 0.00 N ATOM 212 CA ALA A 156 5.614 -0.228 -7.420 1.00 0.00 C ATOM 213 C ALA A 156 5.419 -1.518 -8.221 1.00 0.00 C ATOM 214 O ALA A 156 4.578 -1.575 -9.117 1.00 0.00 O ATOM 215 CB ALA A 156 6.878 0.529 -7.832 1.00 0.00 C ATOM 0 H ALA A 156 6.210 -1.391 -5.781 1.00 0.00 H new ATOM 0 HA ALA A 156 4.763 0.421 -7.628 1.00 0.00 H new ATOM 0 HB1 ALA A 156 6.828 0.769 -8.894 1.00 0.00 H new ATOM 0 HB2 ALA A 156 6.955 1.451 -7.255 1.00 0.00 H new ATOM 0 HB3 ALA A 156 7.753 -0.092 -7.641 1.00 0.00 H new ATOM 221 N ARG A 157 6.211 -2.520 -7.869 1.00 0.00 N ATOM 222 CA ARG A 157 6.136 -3.805 -8.544 1.00 0.00 C ATOM 223 C ARG A 157 5.219 -4.756 -7.773 1.00 0.00 C ATOM 224 O ARG A 157 4.618 -5.655 -8.360 1.00 0.00 O ATOM 225 CB ARG A 157 7.522 -4.439 -8.676 1.00 0.00 C ATOM 226 CG ARG A 157 7.415 -5.920 -9.044 1.00 0.00 C ATOM 227 CD ARG A 157 8.586 -6.352 -9.929 1.00 0.00 C ATOM 228 NE ARG A 157 9.117 -7.653 -9.466 1.00 0.00 N ATOM 229 CZ ARG A 157 10.224 -8.241 -9.969 1.00 0.00 C ATOM 230 NH1 ARG A 157 10.927 -7.647 -10.957 1.00 0.00 N ATOM 231 NH2 ARG A 157 10.608 -9.406 -9.480 1.00 0.00 N ATOM 0 H ARG A 157 6.908 -2.468 -7.126 1.00 0.00 H new ATOM 0 HA ARG A 157 5.731 -3.633 -9.541 1.00 0.00 H new ATOM 0 HB2 ARG A 157 8.096 -3.912 -9.438 1.00 0.00 H new ATOM 0 HB3 ARG A 157 8.065 -4.332 -7.737 1.00 0.00 H new ATOM 0 HG2 ARG A 157 7.399 -6.523 -8.136 1.00 0.00 H new ATOM 0 HG3 ARG A 157 6.475 -6.102 -9.565 1.00 0.00 H new ATOM 0 HD2 ARG A 157 8.259 -6.432 -10.966 1.00 0.00 H new ATOM 0 HD3 ARG A 157 9.372 -5.598 -9.900 1.00 0.00 H new ATOM 0 HE ARG A 157 8.616 -8.136 -8.720 1.00 0.00 H new ATOM 0 HH11 ARG A 157 10.623 -6.747 -11.329 1.00 0.00 H new ATOM 0 HH12 ARG A 157 11.762 -8.098 -11.331 1.00 0.00 H new ATOM 0 HH21 ARG A 157 10.071 -9.848 -8.734 1.00 0.00 H new ATOM 0 HH22 ARG A 157 11.442 -9.864 -9.848 1.00 0.00 H new ATOM 244 N GLN A 158 5.140 -4.526 -6.471 1.00 0.00 N ATOM 245 CA GLN A 158 4.305 -5.352 -5.614 1.00 0.00 C ATOM 246 C GLN A 158 2.826 -5.108 -5.920 1.00 0.00 C ATOM 247 O GLN A 158 2.420 -3.977 -6.179 1.00 0.00 O ATOM 248 CB GLN A 158 4.610 -5.092 -4.138 1.00 0.00 C ATOM 249 CG GLN A 158 5.195 -6.339 -3.471 1.00 0.00 C ATOM 250 CD GLN A 158 4.815 -6.398 -1.990 1.00 0.00 C ATOM 251 OE1 GLN A 158 3.704 -6.086 -1.595 1.00 0.00 O ATOM 252 NE2 GLN A 158 5.797 -6.815 -1.196 1.00 0.00 N ATOM 0 H GLN A 158 5.640 -3.780 -5.988 1.00 0.00 H new ATOM 0 HA GLN A 158 4.530 -6.399 -5.819 1.00 0.00 H new ATOM 0 HB2 GLN A 158 5.313 -4.264 -4.049 1.00 0.00 H new ATOM 0 HB3 GLN A 158 3.698 -4.793 -3.622 1.00 0.00 H new ATOM 0 HG2 GLN A 158 4.831 -7.232 -3.979 1.00 0.00 H new ATOM 0 HG3 GLN A 158 6.280 -6.334 -3.572 1.00 0.00 H new ATOM 0 HE21 GLN A 158 6.704 -7.061 -1.593 1.00 0.00 H new ATOM 0 HE22 GLN A 158 5.643 -6.889 -0.190 1.00 0.00 H new ATOM 261 N LEU A 159 2.061 -6.189 -5.880 1.00 0.00 N ATOM 262 CA LEU A 159 0.636 -6.107 -6.149 1.00 0.00 C ATOM 263 C LEU A 159 -0.135 -6.206 -4.831 1.00 0.00 C ATOM 264 O LEU A 159 -1.363 -6.137 -4.819 1.00 0.00 O ATOM 265 CB LEU A 159 0.224 -7.159 -7.182 1.00 0.00 C ATOM 266 CG LEU A 159 -0.573 -6.644 -8.382 1.00 0.00 C ATOM 267 CD1 LEU A 159 0.353 -6.017 -9.427 1.00 0.00 C ATOM 268 CD2 LEU A 159 -1.442 -7.752 -8.979 1.00 0.00 C ATOM 269 OXT LEU A 159 0.599 -6.362 -3.781 1.00 0.00 O ATOM 0 H LEU A 159 2.401 -7.126 -5.665 1.00 0.00 H new ATOM 0 HA LEU A 159 0.388 -5.143 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 159 1.125 -7.648 -7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -0.369 -7.922 -6.678 1.00 0.00 H new ATOM 0 HG LEU A 159 -1.245 -5.859 -8.034 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -0.239 -5.659 -10.269 1.00 0.00 H new ATOM 0 HD12 LEU A 159 0.892 -5.181 -8.981 1.00 0.00 H new ATOM 0 HD13 LEU A 159 1.066 -6.764 -9.776 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -1.998 -7.359 -9.830 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.807 -8.575 -9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -2.141 -8.113 -8.224 1.00 0.00 H new TER 282 LEU A 159