USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 260 hydrogens (0 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 79 MET CE :methyl -144:sc= -0.0452 (180deg=-0.593) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0684 USER MOD Single : A 84 GLN : amide:sc=-0.00183 K(o=-0.0018,f=-1.2) USER MOD Single : A 90 LYS NZ :NH3+ 162:sc= -0.365 (180deg=-0.751) USER MOD Single : A 91 MET CE :methyl 156:sc= -0.16 (180deg=-1.04) USER MOD Single : A 92 SER OG : rot 79:sc= 0.341 USER MOD Single : A 94 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.38) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 76:sc= 0.305 USER MOD ----------------------------------------------------------------- ATOM 153 N MET A 79 1.682 -13.127 -15.146 1.00 0.00 N ATOM 154 CA MET A 79 3.009 -13.324 -14.570 1.00 0.00 C ATOM 155 C MET A 79 4.091 -12.951 -15.578 1.00 0.00 C ATOM 156 O MET A 79 3.898 -13.088 -16.786 1.00 0.00 O ATOM 157 CB MET A 79 3.182 -14.782 -14.149 1.00 0.00 C ATOM 158 CG MET A 79 2.256 -15.084 -12.968 1.00 0.00 C ATOM 159 SD MET A 79 2.623 -16.735 -12.322 1.00 0.00 S ATOM 160 CE MET A 79 1.944 -17.686 -13.705 1.00 0.00 C ATOM 0 HA MET A 79 3.106 -12.680 -13.696 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.951 -15.443 -14.984 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.219 -14.971 -13.870 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.391 -14.337 -12.186 1.00 0.00 H new ATOM 0 HG3 MET A 79 1.215 -15.029 -13.285 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.480 -18.597 -13.327 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.197 -17.087 -14.226 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.746 -17.947 -14.396 1.00 0.00 H new ATOM 170 N THR A 80 5.225 -12.477 -15.074 1.00 0.00 N ATOM 171 CA THR A 80 6.327 -12.085 -15.944 1.00 0.00 C ATOM 172 C THR A 80 7.025 -13.317 -16.509 1.00 0.00 C ATOM 173 O THR A 80 6.910 -14.415 -15.962 1.00 0.00 O ATOM 174 CB THR A 80 7.336 -11.243 -15.160 1.00 0.00 C ATOM 175 OG1 THR A 80 7.912 -12.038 -14.132 1.00 0.00 O ATOM 176 CG2 THR A 80 6.625 -10.041 -14.538 1.00 0.00 C ATOM 0 H THR A 80 5.404 -12.356 -14.077 1.00 0.00 H new ATOM 0 HA THR A 80 5.924 -11.497 -16.768 1.00 0.00 H new ATOM 0 HB THR A 80 8.119 -10.891 -15.832 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.560 -11.502 -13.629 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.344 -9.442 -13.980 1.00 0.00 H new ATOM 0 HG22 THR A 80 6.180 -9.433 -15.326 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.843 -10.390 -13.864 1.00 0.00 H new ATOM 184 N GLU A 81 7.745 -13.129 -17.609 1.00 0.00 N ATOM 185 CA GLU A 81 8.453 -14.234 -18.239 1.00 0.00 C ATOM 186 C GLU A 81 9.508 -14.797 -17.291 1.00 0.00 C ATOM 187 O GLU A 81 9.690 -16.011 -17.201 1.00 0.00 O ATOM 188 CB GLU A 81 9.125 -13.760 -19.534 1.00 0.00 C ATOM 189 CG GLU A 81 9.808 -14.943 -20.234 1.00 0.00 C ATOM 190 CD GLU A 81 8.765 -15.979 -20.638 1.00 0.00 C ATOM 191 OE1 GLU A 81 7.609 -15.608 -20.763 1.00 0.00 O ATOM 192 OE2 GLU A 81 9.134 -17.129 -20.810 1.00 0.00 O ATOM 0 H GLU A 81 7.853 -12.230 -18.079 1.00 0.00 H new ATOM 0 HA GLU A 81 7.732 -15.017 -18.474 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.383 -13.314 -20.196 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.859 -12.986 -19.310 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.347 -14.594 -21.115 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.544 -15.395 -19.569 1.00 0.00 H new ATOM 199 N GLU A 82 10.206 -13.906 -16.594 1.00 0.00 N ATOM 200 CA GLU A 82 11.246 -14.330 -15.665 1.00 0.00 C ATOM 201 C GLU A 82 10.650 -15.169 -14.542 1.00 0.00 C ATOM 202 O GLU A 82 11.223 -16.181 -14.138 1.00 0.00 O ATOM 203 CB GLU A 82 11.941 -13.105 -15.070 1.00 0.00 C ATOM 204 CG GLU A 82 12.792 -12.425 -16.144 1.00 0.00 C ATOM 205 CD GLU A 82 13.357 -11.113 -15.612 1.00 0.00 C ATOM 206 OE1 GLU A 82 12.933 -10.697 -14.547 1.00 0.00 O ATOM 207 OE2 GLU A 82 14.204 -10.542 -16.278 1.00 0.00 O ATOM 0 H GLU A 82 10.072 -12.897 -16.654 1.00 0.00 H new ATOM 0 HA GLU A 82 11.971 -14.934 -16.210 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.200 -12.406 -14.683 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.568 -13.403 -14.229 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.606 -13.085 -16.446 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.188 -12.237 -17.032 1.00 0.00 H new ATOM 214 N GLU A 83 9.496 -14.744 -14.044 1.00 0.00 N ATOM 215 CA GLU A 83 8.833 -15.468 -12.967 1.00 0.00 C ATOM 216 C GLU A 83 8.413 -16.858 -13.433 1.00 0.00 C ATOM 217 O GLU A 83 8.564 -17.839 -12.706 1.00 0.00 O ATOM 218 CB GLU A 83 7.603 -14.688 -12.493 1.00 0.00 C ATOM 219 CG GLU A 83 7.006 -15.363 -11.251 1.00 0.00 C ATOM 220 CD GLU A 83 6.189 -16.589 -11.651 1.00 0.00 C ATOM 221 OE1 GLU A 83 5.674 -16.603 -12.758 1.00 0.00 O ATOM 222 OE2 GLU A 83 6.093 -17.502 -10.846 1.00 0.00 O ATOM 0 H GLU A 83 9.004 -13.910 -14.364 1.00 0.00 H new ATOM 0 HA GLU A 83 9.535 -15.574 -12.140 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.880 -13.660 -12.261 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.859 -14.646 -13.288 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.805 -15.657 -10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.373 -14.656 -10.714 1.00 0.00 H new ATOM 229 N GLN A 84 7.879 -16.936 -14.649 1.00 0.00 N ATOM 230 CA GLN A 84 7.438 -18.213 -15.194 1.00 0.00 C ATOM 231 C GLN A 84 8.620 -19.162 -15.356 1.00 0.00 C ATOM 232 O GLN A 84 8.522 -20.351 -15.053 1.00 0.00 O ATOM 233 CB GLN A 84 6.764 -17.996 -16.551 1.00 0.00 C ATOM 234 CG GLN A 84 6.209 -19.326 -17.067 1.00 0.00 C ATOM 235 CD GLN A 84 5.466 -19.107 -18.380 1.00 0.00 C ATOM 236 OE1 GLN A 84 4.939 -18.021 -18.623 1.00 0.00 O ATOM 237 NE2 GLN A 84 5.399 -20.078 -19.249 1.00 0.00 N ATOM 0 H GLN A 84 7.743 -16.138 -15.269 1.00 0.00 H new ATOM 0 HA GLN A 84 6.723 -18.657 -14.501 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.959 -17.267 -16.456 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.481 -17.589 -17.264 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.023 -20.036 -17.214 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.537 -19.760 -16.327 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.837 -20.976 -19.045 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.909 -19.939 -20.133 1.00 0.00 H new ATOM 246 N PHE A 85 9.736 -18.629 -15.838 1.00 0.00 N ATOM 247 CA PHE A 85 10.931 -19.437 -16.039 1.00 0.00 C ATOM 248 C PHE A 85 11.411 -20.020 -14.715 1.00 0.00 C ATOM 249 O PHE A 85 11.714 -21.210 -14.622 1.00 0.00 O ATOM 250 CB PHE A 85 12.042 -18.582 -16.653 1.00 0.00 C ATOM 251 CG PHE A 85 13.279 -19.427 -16.849 1.00 0.00 C ATOM 252 CD1 PHE A 85 13.352 -20.316 -17.930 1.00 0.00 C ATOM 253 CD2 PHE A 85 14.350 -19.324 -15.954 1.00 0.00 C ATOM 254 CE1 PHE A 85 14.496 -21.100 -18.113 1.00 0.00 C ATOM 255 CE2 PHE A 85 15.495 -20.109 -16.138 1.00 0.00 C ATOM 256 CZ PHE A 85 15.567 -20.998 -17.218 1.00 0.00 C ATOM 0 H PHE A 85 9.838 -17.647 -16.095 1.00 0.00 H new ATOM 0 HA PHE A 85 10.684 -20.255 -16.716 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.714 -18.172 -17.608 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.266 -17.736 -16.003 1.00 0.00 H new ATOM 0 HD1 PHE A 85 12.526 -20.396 -18.621 1.00 0.00 H new ATOM 0 HD2 PHE A 85 14.293 -18.639 -15.121 1.00 0.00 H new ATOM 0 HE1 PHE A 85 14.553 -21.785 -18.946 1.00 0.00 H new ATOM 0 HE2 PHE A 85 16.322 -20.029 -15.448 1.00 0.00 H new ATOM 0 HZ PHE A 85 16.449 -21.605 -17.360 1.00 0.00 H new ATOM 266 N ALA A 86 11.478 -19.176 -13.692 1.00 0.00 N ATOM 267 CA ALA A 86 11.926 -19.619 -12.379 1.00 0.00 C ATOM 268 C ALA A 86 11.004 -20.704 -11.843 1.00 0.00 C ATOM 269 O ALA A 86 11.457 -21.671 -11.231 1.00 0.00 O ATOM 270 CB ALA A 86 11.953 -18.436 -11.408 1.00 0.00 C ATOM 0 H ALA A 86 11.230 -18.188 -13.746 1.00 0.00 H new ATOM 0 HA ALA A 86 12.932 -20.028 -12.475 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.289 -18.777 -10.429 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.637 -17.674 -11.782 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.952 -18.014 -11.321 1.00 0.00 H new ATOM 276 N LEU A 87 9.710 -20.538 -12.065 1.00 0.00 N ATOM 277 CA LEU A 87 8.745 -21.511 -11.583 1.00 0.00 C ATOM 278 C LEU A 87 8.977 -22.868 -12.241 1.00 0.00 C ATOM 279 O LEU A 87 8.889 -23.912 -11.594 1.00 0.00 O ATOM 280 CB LEU A 87 7.311 -21.019 -11.879 1.00 0.00 C ATOM 281 CG LEU A 87 6.356 -21.475 -10.760 1.00 0.00 C ATOM 282 CD1 LEU A 87 6.430 -23.007 -10.611 1.00 0.00 C ATOM 283 CD2 LEU A 87 6.744 -20.787 -9.420 1.00 0.00 C ATOM 0 H LEU A 87 9.308 -19.748 -12.570 1.00 0.00 H new ATOM 0 HA LEU A 87 8.871 -21.623 -10.506 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.300 -19.932 -11.957 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.974 -21.411 -12.838 1.00 0.00 H new ATOM 0 HG LEU A 87 5.336 -21.191 -11.018 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.754 -23.329 -9.819 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.139 -23.478 -11.550 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.449 -23.299 -10.359 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.064 -21.114 -8.633 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.765 -21.059 -9.154 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.674 -19.705 -9.533 1.00 0.00 H new ATOM 295 N ALA A 88 9.268 -22.841 -13.531 1.00 0.00 N ATOM 296 CA ALA A 88 9.502 -24.072 -14.268 1.00 0.00 C ATOM 297 C ALA A 88 10.698 -24.814 -13.686 1.00 0.00 C ATOM 298 O ALA A 88 10.681 -26.036 -13.552 1.00 0.00 O ATOM 299 CB ALA A 88 9.758 -23.756 -15.741 1.00 0.00 C ATOM 0 H ALA A 88 9.347 -21.989 -14.086 1.00 0.00 H new ATOM 0 HA ALA A 88 8.618 -24.704 -14.184 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.933 -24.683 -16.287 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.890 -23.246 -16.160 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.634 -23.113 -15.828 1.00 0.00 H new ATOM 305 N LEU A 89 11.737 -24.066 -13.339 1.00 0.00 N ATOM 306 CA LEU A 89 12.940 -24.664 -12.771 1.00 0.00 C ATOM 307 C LEU A 89 12.636 -25.302 -11.422 1.00 0.00 C ATOM 308 O LEU A 89 13.145 -26.376 -11.108 1.00 0.00 O ATOM 309 CB LEU A 89 14.044 -23.593 -12.618 1.00 0.00 C ATOM 310 CG LEU A 89 14.924 -23.543 -13.873 1.00 0.00 C ATOM 311 CD1 LEU A 89 14.118 -23.007 -15.053 1.00 0.00 C ATOM 312 CD2 LEU A 89 16.119 -22.627 -13.611 1.00 0.00 C ATOM 0 H LEU A 89 11.773 -23.052 -13.439 1.00 0.00 H new ATOM 0 HA LEU A 89 13.293 -25.442 -13.448 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.590 -22.617 -12.446 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.658 -23.817 -11.745 1.00 0.00 H new ATOM 0 HG LEU A 89 15.274 -24.548 -14.110 1.00 0.00 H new ATOM 0 HD11 LEU A 89 14.750 -22.975 -15.941 1.00 0.00 H new ATOM 0 HD12 LEU A 89 13.266 -23.661 -15.238 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.762 -22.003 -14.824 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.749 -22.587 -14.500 1.00 0.00 H new ATOM 0 HD22 LEU A 89 15.764 -21.624 -13.373 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.698 -23.015 -12.773 1.00 0.00 H new ATOM 324 N LYS A 90 11.815 -24.633 -10.629 1.00 0.00 N ATOM 325 CA LYS A 90 11.468 -25.153 -9.315 1.00 0.00 C ATOM 326 C LYS A 90 10.726 -26.477 -9.444 1.00 0.00 C ATOM 327 O LYS A 90 10.981 -27.416 -8.690 1.00 0.00 O ATOM 328 CB LYS A 90 10.588 -24.140 -8.579 1.00 0.00 C ATOM 329 CG LYS A 90 11.424 -22.921 -8.184 1.00 0.00 C ATOM 330 CD LYS A 90 10.534 -21.903 -7.467 1.00 0.00 C ATOM 331 CE LYS A 90 11.379 -20.704 -7.032 1.00 0.00 C ATOM 332 NZ LYS A 90 11.923 -20.016 -8.237 1.00 0.00 N ATOM 0 H LYS A 90 11.381 -23.741 -10.867 1.00 0.00 H new ATOM 0 HA LYS A 90 12.385 -25.320 -8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.759 -23.833 -9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.154 -24.599 -7.691 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.244 -23.225 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.870 -22.470 -9.070 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.732 -21.575 -8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.063 -22.364 -6.599 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.773 -20.012 -6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.195 -21.035 -6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.230 -19.056 -7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.735 -20.552 -8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.185 -19.959 -8.967 1.00 0.00 H new ATOM 346 N MET A 91 9.820 -26.554 -10.414 1.00 0.00 N ATOM 347 CA MET A 91 9.063 -27.780 -10.637 1.00 0.00 C ATOM 348 C MET A 91 9.977 -28.894 -11.137 1.00 0.00 C ATOM 349 O MET A 91 9.862 -30.045 -10.716 1.00 0.00 O ATOM 350 CB MET A 91 7.951 -27.526 -11.654 1.00 0.00 C ATOM 351 CG MET A 91 6.882 -26.629 -11.028 1.00 0.00 C ATOM 352 SD MET A 91 5.685 -26.154 -12.300 1.00 0.00 S ATOM 353 CE MET A 91 4.997 -27.800 -12.603 1.00 0.00 C ATOM 0 H MET A 91 9.594 -25.791 -11.052 1.00 0.00 H new ATOM 0 HA MET A 91 8.623 -28.092 -9.690 1.00 0.00 H new ATOM 0 HB2 MET A 91 8.361 -27.053 -12.546 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.509 -28.471 -11.969 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.379 -27.154 -10.216 1.00 0.00 H new ATOM 0 HG3 MET A 91 7.343 -25.741 -10.596 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.992 -27.704 -13.013 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.629 -28.334 -13.313 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.955 -28.355 -11.666 1.00 0.00 H new ATOM 363 N SER A 92 10.891 -28.538 -12.033 1.00 0.00 N ATOM 364 CA SER A 92 11.831 -29.505 -12.585 1.00 0.00 C ATOM 365 C SER A 92 12.745 -30.041 -11.489 1.00 0.00 C ATOM 366 O SER A 92 13.085 -31.222 -11.472 1.00 0.00 O ATOM 367 CB SER A 92 12.668 -28.861 -13.689 1.00 0.00 C ATOM 368 OG SER A 92 11.826 -28.537 -14.789 1.00 0.00 O ATOM 0 H SER A 92 11.000 -27.589 -12.391 1.00 0.00 H new ATOM 0 HA SER A 92 11.264 -30.334 -13.009 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.157 -27.962 -13.313 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.456 -29.543 -14.008 1.00 0.00 H new ATOM 0 HG SER A 92 11.332 -27.714 -14.591 1.00 0.00 H new ATOM 374 N GLU A 93 13.142 -29.159 -10.576 1.00 0.00 N ATOM 375 CA GLU A 93 14.022 -29.553 -9.485 1.00 0.00 C ATOM 376 C GLU A 93 13.344 -30.600 -8.606 1.00 0.00 C ATOM 377 O GLU A 93 13.970 -31.580 -8.203 1.00 0.00 O ATOM 378 CB GLU A 93 14.385 -28.328 -8.640 1.00 0.00 C ATOM 379 CG GLU A 93 15.340 -28.743 -7.517 1.00 0.00 C ATOM 380 CD GLU A 93 15.822 -27.512 -6.760 1.00 0.00 C ATOM 381 OE1 GLU A 93 15.397 -26.422 -7.109 1.00 0.00 O ATOM 382 OE2 GLU A 93 16.612 -27.676 -5.845 1.00 0.00 O ATOM 0 H GLU A 93 12.870 -28.176 -10.571 1.00 0.00 H new ATOM 0 HA GLU A 93 14.930 -29.983 -9.908 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.852 -27.568 -9.266 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.483 -27.884 -8.219 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.835 -29.426 -6.833 1.00 0.00 H new ATOM 0 HG3 GLU A 93 16.192 -29.281 -7.933 1.00 0.00 H new ATOM 389 N GLN A 94 12.066 -30.389 -8.314 1.00 0.00 N ATOM 390 CA GLN A 94 11.322 -31.329 -7.483 1.00 0.00 C ATOM 391 C GLN A 94 11.235 -32.690 -8.164 1.00 0.00 C ATOM 392 O GLN A 94 11.401 -33.728 -7.523 1.00 0.00 O ATOM 393 CB GLN A 94 9.912 -30.785 -7.233 1.00 0.00 C ATOM 394 CG GLN A 94 9.986 -29.555 -6.322 1.00 0.00 C ATOM 395 CD GLN A 94 10.453 -29.962 -4.929 1.00 0.00 C ATOM 396 OE1 GLN A 94 9.902 -30.888 -4.335 1.00 0.00 O ATOM 397 NE2 GLN A 94 11.443 -29.323 -4.368 1.00 0.00 N ATOM 0 H GLN A 94 11.528 -29.585 -8.636 1.00 0.00 H new ATOM 0 HA GLN A 94 11.843 -31.448 -6.533 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.441 -30.520 -8.180 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.292 -31.554 -6.772 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.672 -28.821 -6.744 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.008 -29.078 -6.261 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.899 -28.555 -4.861 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.760 -29.591 -3.436 1.00 0.00 H new ATOM 406 N GLU A 95 10.987 -32.677 -9.468 1.00 0.00 N ATOM 407 CA GLU A 95 10.895 -33.915 -10.237 1.00 0.00 C ATOM 408 C GLU A 95 12.264 -34.589 -10.337 1.00 0.00 C ATOM 409 O GLU A 95 12.376 -35.815 -10.321 1.00 0.00 O ATOM 410 CB GLU A 95 10.354 -33.629 -11.638 1.00 0.00 C ATOM 411 CG GLU A 95 8.880 -33.225 -11.542 1.00 0.00 C ATOM 412 CD GLU A 95 8.365 -32.813 -12.916 1.00 0.00 C ATOM 413 OE1 GLU A 95 9.174 -32.694 -13.819 1.00 0.00 O ATOM 414 OE2 GLU A 95 7.166 -32.619 -13.044 1.00 0.00 O ATOM 0 H GLU A 95 10.846 -31.827 -10.015 1.00 0.00 H new ATOM 0 HA GLU A 95 10.210 -34.588 -9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.931 -32.832 -12.107 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.460 -34.512 -12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.290 -34.057 -11.157 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.765 -32.400 -10.838 1.00 0.00 H new ATOM 421 N ALA A 96 13.306 -33.774 -10.444 1.00 0.00 N ATOM 422 CA ALA A 96 14.663 -34.295 -10.561 1.00 0.00 C ATOM 423 C ALA A 96 15.016 -35.119 -9.325 1.00 0.00 C ATOM 424 O ALA A 96 15.709 -36.132 -9.421 1.00 0.00 O ATOM 425 CB ALA A 96 15.659 -33.127 -10.720 1.00 0.00 C ATOM 0 H ALA A 96 13.239 -32.756 -10.452 1.00 0.00 H new ATOM 0 HA ALA A 96 14.723 -34.937 -11.440 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.671 -33.521 -10.807 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.413 -32.558 -11.617 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.597 -32.475 -9.849 1.00 0.00 H new ATOM 431 N ARG A 97 14.545 -34.675 -8.167 1.00 0.00 N ATOM 432 CA ARG A 97 14.829 -35.381 -6.928 1.00 0.00 C ATOM 433 C ARG A 97 14.209 -36.774 -6.951 1.00 0.00 C ATOM 434 O ARG A 97 14.710 -37.693 -6.302 1.00 0.00 O ATOM 435 CB ARG A 97 14.268 -34.593 -5.743 1.00 0.00 C ATOM 436 CG ARG A 97 15.069 -33.303 -5.560 1.00 0.00 C ATOM 437 CD ARG A 97 14.416 -32.448 -4.473 1.00 0.00 C ATOM 438 NE ARG A 97 14.436 -33.155 -3.197 1.00 0.00 N ATOM 439 CZ ARG A 97 13.667 -32.770 -2.186 1.00 0.00 C ATOM 440 NH1 ARG A 97 12.870 -31.746 -2.326 1.00 0.00 N ATOM 441 NH2 ARG A 97 13.703 -33.418 -1.054 1.00 0.00 N ATOM 0 H ARG A 97 13.971 -33.839 -8.061 1.00 0.00 H new ATOM 0 HA ARG A 97 15.910 -35.478 -6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 97 13.217 -34.359 -5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 97 14.318 -35.196 -4.836 1.00 0.00 H new ATOM 0 HG2 ARG A 97 16.098 -33.537 -5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 97 15.108 -32.750 -6.499 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.944 -31.499 -4.380 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.388 -32.215 -4.752 1.00 0.00 H new ATOM 0 HE ARG A 97 15.052 -33.960 -3.080 1.00 0.00 H new ATOM 0 HH11 ARG A 97 12.838 -31.242 -3.212 1.00 0.00 H new ATOM 0 HH12 ARG A 97 12.279 -31.450 -1.549 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.322 -34.221 -0.946 1.00 0.00 H new ATOM 0 HH22 ARG A 97 13.112 -33.121 -0.278 1.00 0.00 H new ATOM 455 N GLU A 98 13.121 -36.926 -7.705 1.00 0.00 N ATOM 456 CA GLU A 98 12.444 -38.219 -7.805 1.00 0.00 C ATOM 457 C GLU A 98 13.015 -39.050 -8.942 1.00 0.00 C ATOM 458 O GLU A 98 12.794 -40.257 -9.020 1.00 0.00 O ATOM 459 CB GLU A 98 10.946 -38.008 -8.024 1.00 0.00 C ATOM 460 CG GLU A 98 10.335 -37.332 -6.794 1.00 0.00 C ATOM 461 CD GLU A 98 8.836 -37.132 -7.001 1.00 0.00 C ATOM 462 OE1 GLU A 98 8.362 -37.448 -8.080 1.00 0.00 O ATOM 463 OE2 GLU A 98 8.187 -36.667 -6.080 1.00 0.00 O ATOM 0 H GLU A 98 12.693 -36.178 -8.251 1.00 0.00 H new ATOM 0 HA GLU A 98 12.605 -38.758 -6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.781 -37.393 -8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.457 -38.965 -8.206 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.510 -37.943 -5.908 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.818 -36.371 -6.619 1.00 0.00 H new ATOM 470 N VAL A 99 13.758 -38.393 -9.806 1.00 0.00 N ATOM 471 CA VAL A 99 14.385 -39.068 -10.946 1.00 0.00 C ATOM 472 C VAL A 99 15.690 -39.748 -10.527 1.00 0.00 C ATOM 473 O VAL A 99 16.357 -39.314 -9.587 1.00 0.00 O ATOM 474 CB VAL A 99 14.660 -38.073 -12.081 1.00 0.00 C ATOM 475 CG1 VAL A 99 15.560 -38.723 -13.138 1.00 0.00 C ATOM 476 CG2 VAL A 99 13.334 -37.660 -12.729 1.00 0.00 C ATOM 0 H VAL A 99 13.949 -37.393 -9.750 1.00 0.00 H new ATOM 0 HA VAL A 99 13.692 -39.830 -11.303 1.00 0.00 H new ATOM 0 HB VAL A 99 15.160 -37.195 -11.673 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.751 -38.011 -13.941 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.505 -39.016 -12.681 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.065 -39.605 -13.545 1.00 0.00 H new ATOM 0 HG21 VAL A 99 13.528 -36.953 -13.536 1.00 0.00 H new ATOM 0 HG22 VAL A 99 12.835 -38.542 -13.131 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.694 -37.191 -11.981 1.00 0.00 H new ATOM 603 N GLU A 108 20.365 -32.307 -15.894 1.00 0.00 N ATOM 604 CA GLU A 108 21.049 -31.075 -15.512 1.00 0.00 C ATOM 605 C GLU A 108 21.838 -30.517 -16.687 1.00 0.00 C ATOM 606 O GLU A 108 21.777 -29.320 -16.973 1.00 0.00 O ATOM 607 CB GLU A 108 22.003 -31.357 -14.347 1.00 0.00 C ATOM 608 CG GLU A 108 21.197 -31.615 -13.074 1.00 0.00 C ATOM 609 CD GLU A 108 22.121 -32.104 -11.962 1.00 0.00 C ATOM 610 OE1 GLU A 108 23.205 -32.563 -12.277 1.00 0.00 O ATOM 611 OE2 GLU A 108 21.730 -32.008 -10.812 1.00 0.00 O ATOM 0 HA GLU A 108 20.302 -30.341 -15.208 1.00 0.00 H new ATOM 0 HB2 GLU A 108 22.627 -32.221 -14.576 1.00 0.00 H new ATOM 0 HB3 GLU A 108 22.673 -30.510 -14.200 1.00 0.00 H new ATOM 0 HG2 GLU A 108 20.691 -30.701 -12.762 1.00 0.00 H new ATOM 0 HG3 GLU A 108 20.423 -32.358 -13.268 1.00 0.00 H new ATOM 618 N LEU A 109 22.559 -31.384 -17.382 1.00 0.00 N ATOM 619 CA LEU A 109 23.336 -30.951 -18.540 1.00 0.00 C ATOM 620 C LEU A 109 22.418 -30.531 -19.672 1.00 0.00 C ATOM 621 O LEU A 109 22.689 -29.551 -20.368 1.00 0.00 O ATOM 622 CB LEU A 109 24.262 -32.089 -18.998 1.00 0.00 C ATOM 623 CG LEU A 109 25.556 -32.077 -18.162 1.00 0.00 C ATOM 624 CD1 LEU A 109 26.420 -30.845 -18.529 1.00 0.00 C ATOM 625 CD2 LEU A 109 25.201 -32.037 -16.664 1.00 0.00 C ATOM 0 H LEU A 109 22.624 -32.380 -17.171 1.00 0.00 H new ATOM 0 HA LEU A 109 23.942 -30.091 -18.256 1.00 0.00 H new ATOM 0 HB2 LEU A 109 23.756 -33.048 -18.888 1.00 0.00 H new ATOM 0 HB3 LEU A 109 24.500 -31.973 -20.055 1.00 0.00 H new ATOM 0 HG LEU A 109 26.126 -32.981 -18.377 1.00 0.00 H new ATOM 0 HD11 LEU A 109 27.331 -30.849 -17.931 1.00 0.00 H new ATOM 0 HD12 LEU A 109 26.680 -30.885 -19.587 1.00 0.00 H new ATOM 0 HD13 LEU A 109 25.858 -29.933 -18.328 1.00 0.00 H new ATOM 0 HD21 LEU A 109 26.117 -32.029 -16.073 1.00 0.00 H new ATOM 0 HD22 LEU A 109 24.623 -31.138 -16.451 1.00 0.00 H new ATOM 0 HD23 LEU A 109 24.611 -32.917 -16.406 1.00 0.00 H new ATOM 637 N LEU A 110 21.344 -31.277 -19.857 1.00 0.00 N ATOM 638 CA LEU A 110 20.408 -30.970 -20.920 1.00 0.00 C ATOM 639 C LEU A 110 19.765 -29.608 -20.689 1.00 0.00 C ATOM 640 O LEU A 110 19.634 -28.806 -21.614 1.00 0.00 O ATOM 641 CB LEU A 110 19.321 -32.051 -20.980 1.00 0.00 C ATOM 642 CG LEU A 110 18.309 -31.721 -22.091 1.00 0.00 C ATOM 643 CD1 LEU A 110 19.024 -31.670 -23.452 1.00 0.00 C ATOM 644 CD2 LEU A 110 17.221 -32.797 -22.119 1.00 0.00 C ATOM 0 H LEU A 110 21.101 -32.090 -19.292 1.00 0.00 H new ATOM 0 HA LEU A 110 20.950 -30.945 -21.866 1.00 0.00 H new ATOM 0 HB2 LEU A 110 19.775 -33.024 -21.168 1.00 0.00 H new ATOM 0 HB3 LEU A 110 18.810 -32.118 -20.020 1.00 0.00 H new ATOM 0 HG LEU A 110 17.857 -30.749 -21.892 1.00 0.00 H new ATOM 0 HD11 LEU A 110 18.302 -31.436 -24.234 1.00 0.00 H new ATOM 0 HD12 LEU A 110 19.796 -30.901 -23.429 1.00 0.00 H new ATOM 0 HD13 LEU A 110 19.482 -32.637 -23.659 1.00 0.00 H new ATOM 0 HD21 LEU A 110 16.502 -32.567 -22.905 1.00 0.00 H new ATOM 0 HD22 LEU A 110 17.675 -33.768 -22.316 1.00 0.00 H new ATOM 0 HD23 LEU A 110 16.710 -32.823 -21.156 1.00 0.00 H new ATOM 656 N ARG A 111 19.363 -29.355 -19.449 1.00 0.00 N ATOM 657 CA ARG A 111 18.731 -28.090 -19.104 1.00 0.00 C ATOM 658 C ARG A 111 19.714 -26.936 -19.247 1.00 0.00 C ATOM 659 O ARG A 111 19.353 -25.853 -19.709 1.00 0.00 O ATOM 660 CB ARG A 111 18.200 -28.143 -17.672 1.00 0.00 C ATOM 661 CG ARG A 111 16.986 -29.074 -17.608 1.00 0.00 C ATOM 662 CD ARG A 111 16.556 -29.255 -16.151 1.00 0.00 C ATOM 663 NE ARG A 111 17.556 -30.022 -15.417 1.00 0.00 N ATOM 664 CZ ARG A 111 17.423 -30.256 -14.115 1.00 0.00 C ATOM 665 NH1 ARG A 111 16.387 -29.793 -13.471 1.00 0.00 N ATOM 666 NH2 ARG A 111 18.330 -30.947 -13.482 1.00 0.00 N ATOM 0 H ARG A 111 19.463 -30.006 -18.670 1.00 0.00 H new ATOM 0 HA ARG A 111 17.901 -27.925 -19.791 1.00 0.00 H new ATOM 0 HB2 ARG A 111 18.979 -28.498 -16.998 1.00 0.00 H new ATOM 0 HB3 ARG A 111 17.922 -27.143 -17.339 1.00 0.00 H new ATOM 0 HG2 ARG A 111 16.165 -28.658 -18.191 1.00 0.00 H new ATOM 0 HG3 ARG A 111 17.232 -30.040 -18.048 1.00 0.00 H new ATOM 0 HD2 ARG A 111 16.419 -28.281 -15.682 1.00 0.00 H new ATOM 0 HD3 ARG A 111 15.594 -29.766 -16.110 1.00 0.00 H new ATOM 0 HE ARG A 111 18.371 -30.385 -15.911 1.00 0.00 H new ATOM 0 HH11 ARG A 111 15.679 -29.251 -13.966 1.00 0.00 H new ATOM 0 HH12 ARG A 111 16.285 -29.973 -12.472 1.00 0.00 H new ATOM 0 HH21 ARG A 111 19.140 -31.307 -13.986 1.00 0.00 H new ATOM 0 HH22 ARG A 111 18.229 -31.127 -12.483 1.00 0.00 H new ATOM 680 N LYS A 112 20.956 -27.170 -18.840 1.00 0.00 N ATOM 681 CA LYS A 112 21.978 -26.138 -18.920 1.00 0.00 C ATOM 682 C LYS A 112 22.197 -25.712 -20.368 1.00 0.00 C ATOM 683 O LYS A 112 22.306 -24.523 -20.662 1.00 0.00 O ATOM 684 CB LYS A 112 23.289 -26.667 -18.341 1.00 0.00 C ATOM 685 CG LYS A 112 24.316 -25.529 -18.254 1.00 0.00 C ATOM 686 CD LYS A 112 25.696 -26.088 -17.893 1.00 0.00 C ATOM 687 CE LYS A 112 25.724 -26.517 -16.425 1.00 0.00 C ATOM 688 NZ LYS A 112 27.119 -26.852 -16.036 1.00 0.00 N ATOM 0 H LYS A 112 21.276 -28.058 -18.454 1.00 0.00 H new ATOM 0 HA LYS A 112 21.645 -25.273 -18.346 1.00 0.00 H new ATOM 0 HB2 LYS A 112 23.116 -27.089 -17.351 1.00 0.00 H new ATOM 0 HB3 LYS A 112 23.676 -27.471 -18.967 1.00 0.00 H new ATOM 0 HG2 LYS A 112 24.367 -25.002 -19.207 1.00 0.00 H new ATOM 0 HG3 LYS A 112 24.002 -24.803 -17.504 1.00 0.00 H new ATOM 0 HD2 LYS A 112 25.931 -26.939 -18.533 1.00 0.00 H new ATOM 0 HD3 LYS A 112 26.461 -25.333 -18.074 1.00 0.00 H new ATOM 0 HE2 LYS A 112 25.341 -25.716 -15.793 1.00 0.00 H new ATOM 0 HE3 LYS A 112 25.075 -27.380 -16.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 27.141 -27.144 -15.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 27.468 -27.629 -16.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 27.726 -26.017 -16.166 1.00 0.00 H new ATOM 702 N ALA A 113 22.263 -26.689 -21.267 1.00 0.00 N ATOM 703 CA ALA A 113 22.473 -26.391 -22.678 1.00 0.00 C ATOM 704 C ALA A 113 21.327 -25.547 -23.219 1.00 0.00 C ATOM 705 O ALA A 113 21.540 -24.611 -23.989 1.00 0.00 O ATOM 706 CB ALA A 113 22.572 -27.694 -23.474 1.00 0.00 C ATOM 0 H ALA A 113 22.175 -27.681 -21.047 1.00 0.00 H new ATOM 0 HA ALA A 113 23.402 -25.831 -22.781 1.00 0.00 H new ATOM 0 HB1 ALA A 113 22.729 -27.465 -24.528 1.00 0.00 H new ATOM 0 HB2 ALA A 113 23.409 -28.285 -23.102 1.00 0.00 H new ATOM 0 HB3 ALA A 113 21.648 -28.261 -23.359 1.00 0.00 H new ATOM 712 N ILE A 114 20.110 -25.884 -22.813 1.00 0.00 N ATOM 713 CA ILE A 114 18.937 -25.149 -23.269 1.00 0.00 C ATOM 714 C ILE A 114 18.985 -23.704 -22.791 1.00 0.00 C ATOM 715 O ILE A 114 18.713 -22.780 -23.557 1.00 0.00 O ATOM 716 CB ILE A 114 17.663 -25.828 -22.744 1.00 0.00 C ATOM 717 CG1 ILE A 114 17.490 -27.206 -23.417 1.00 0.00 C ATOM 718 CG2 ILE A 114 16.439 -24.947 -23.054 1.00 0.00 C ATOM 719 CD1 ILE A 114 16.844 -27.058 -24.807 1.00 0.00 C ATOM 0 H ILE A 114 19.910 -26.654 -22.175 1.00 0.00 H new ATOM 0 HA ILE A 114 18.929 -25.152 -24.359 1.00 0.00 H new ATOM 0 HB ILE A 114 17.749 -25.962 -21.666 1.00 0.00 H new ATOM 0 HG12 ILE A 114 18.460 -27.694 -23.512 1.00 0.00 H new ATOM 0 HG13 ILE A 114 16.871 -27.847 -22.790 1.00 0.00 H new ATOM 0 HG21 ILE A 114 15.537 -25.432 -22.680 1.00 0.00 H new ATOM 0 HG22 ILE A 114 16.557 -23.977 -22.570 1.00 0.00 H new ATOM 0 HG23 ILE A 114 16.355 -24.807 -24.132 1.00 0.00 H new ATOM 0 HD11 ILE A 114 16.732 -28.042 -25.263 1.00 0.00 H new ATOM 0 HD12 ILE A 114 15.864 -26.591 -24.705 1.00 0.00 H new ATOM 0 HD13 ILE A 114 17.478 -26.436 -25.439 1.00 0.00 H new ATOM 731 N ALA A 115 19.316 -23.519 -21.523 1.00 0.00 N ATOM 732 CA ALA A 115 19.381 -22.181 -20.955 1.00 0.00 C ATOM 733 C ALA A 115 20.437 -21.346 -21.672 1.00 0.00 C ATOM 734 O ALA A 115 20.222 -20.168 -21.956 1.00 0.00 O ATOM 735 CB ALA A 115 19.721 -22.264 -19.468 1.00 0.00 C ATOM 0 H ALA A 115 19.542 -24.271 -20.872 1.00 0.00 H new ATOM 0 HA ALA A 115 18.409 -21.705 -21.081 1.00 0.00 H new ATOM 0 HB1 ALA A 115 19.768 -21.259 -19.049 1.00 0.00 H new ATOM 0 HB2 ALA A 115 18.952 -22.837 -18.950 1.00 0.00 H new ATOM 0 HB3 ALA A 115 20.686 -22.755 -19.342 1.00 0.00 H new ATOM 741 N GLU A 116 21.575 -21.965 -21.966 1.00 0.00 N ATOM 742 CA GLU A 116 22.655 -21.264 -22.652 1.00 0.00 C ATOM 743 C GLU A 116 22.213 -20.830 -24.045 1.00 0.00 C ATOM 744 O GLU A 116 22.524 -19.724 -24.488 1.00 0.00 O ATOM 745 CB GLU A 116 23.877 -22.176 -22.762 1.00 0.00 C ATOM 746 CG GLU A 116 24.505 -22.361 -21.379 1.00 0.00 C ATOM 747 CD GLU A 116 25.590 -23.431 -21.438 1.00 0.00 C ATOM 748 OE1 GLU A 116 25.668 -24.111 -22.449 1.00 0.00 O ATOM 749 OE2 GLU A 116 26.323 -23.558 -20.472 1.00 0.00 O ATOM 0 H GLU A 116 21.773 -22.940 -21.743 1.00 0.00 H new ATOM 0 HA GLU A 116 22.914 -20.376 -22.075 1.00 0.00 H new ATOM 0 HB2 GLU A 116 23.586 -23.143 -23.173 1.00 0.00 H new ATOM 0 HB3 GLU A 116 24.605 -21.744 -23.448 1.00 0.00 H new ATOM 0 HG2 GLU A 116 24.931 -21.418 -21.035 1.00 0.00 H new ATOM 0 HG3 GLU A 116 23.739 -22.647 -20.658 1.00 0.00 H new ATOM 756 N SER A 117 21.484 -21.704 -24.730 1.00 0.00 N ATOM 757 CA SER A 117 21.005 -21.397 -26.072 1.00 0.00 C ATOM 758 C SER A 117 20.028 -20.224 -26.039 1.00 0.00 C ATOM 759 O SER A 117 20.042 -19.367 -26.921 1.00 0.00 O ATOM 760 CB SER A 117 20.319 -22.622 -26.674 1.00 0.00 C ATOM 761 OG SER A 117 21.285 -23.647 -26.875 1.00 0.00 O ATOM 0 H SER A 117 21.214 -22.624 -24.381 1.00 0.00 H new ATOM 0 HA SER A 117 21.861 -21.122 -26.689 1.00 0.00 H new ATOM 0 HB2 SER A 117 19.530 -22.975 -26.010 1.00 0.00 H new ATOM 0 HB3 SER A 117 19.846 -22.360 -27.621 1.00 0.00 H new ATOM 0 HG SER A 117 21.503 -24.064 -26.015 1.00 0.00 H new ATOM 767 N LEU A 118 19.176 -20.202 -25.019 1.00 0.00 N ATOM 768 CA LEU A 118 18.192 -19.132 -24.886 1.00 0.00 C ATOM 769 C LEU A 118 18.870 -17.807 -24.573 1.00 0.00 C ATOM 770 O LEU A 118 18.434 -16.752 -25.033 1.00 0.00 O ATOM 771 CB LEU A 118 17.207 -19.476 -23.767 1.00 0.00 C ATOM 772 CG LEU A 118 16.343 -20.674 -24.189 1.00 0.00 C ATOM 773 CD1 LEU A 118 15.530 -21.163 -22.985 1.00 0.00 C ATOM 774 CD2 LEU A 118 15.388 -20.274 -25.338 1.00 0.00 C ATOM 0 H LEU A 118 19.146 -20.904 -24.280 1.00 0.00 H new ATOM 0 HA LEU A 118 17.660 -19.035 -25.832 1.00 0.00 H new ATOM 0 HB2 LEU A 118 17.749 -19.711 -22.851 1.00 0.00 H new ATOM 0 HB3 LEU A 118 16.573 -18.616 -23.550 1.00 0.00 H new ATOM 0 HG LEU A 118 16.994 -21.474 -24.542 1.00 0.00 H new ATOM 0 HD11 LEU A 118 14.916 -22.013 -23.282 1.00 0.00 H new ATOM 0 HD12 LEU A 118 16.208 -21.466 -22.187 1.00 0.00 H new ATOM 0 HD13 LEU A 118 14.887 -20.358 -22.629 1.00 0.00 H new ATOM 0 HD21 LEU A 118 14.783 -21.134 -25.625 1.00 0.00 H new ATOM 0 HD22 LEU A 118 14.736 -19.467 -25.005 1.00 0.00 H new ATOM 0 HD23 LEU A 118 15.971 -19.938 -26.196 1.00 0.00 H new