USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=7 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 Set 1.1: A 90 LYS NZ :NH3+ -156:sc= -2.05 (180deg=-3!) USER MOD Set 1.2: A 91 MET CE :methyl -163:sc=-0.00548 (180deg=0) USER MOD Single : A 79 MET CE :methyl 158:sc= -0.069 (180deg=-0.789) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 84 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.44) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0959 K(o=-0.096,f=-2.3!) USER MOD Single : A 112 LYS NZ :NH3+ 164:sc= -0.0115 (180deg=-0.232) USER MOD Single : A 117 SER OG : rot 75:sc= 0.154 USER MOD ----------------------------------------------------------------- ATOM 153 N MET A 79 1.843 -13.083 -13.464 1.00 0.00 N ATOM 154 CA MET A 79 3.269 -13.297 -13.262 1.00 0.00 C ATOM 155 C MET A 79 4.037 -13.007 -14.545 1.00 0.00 C ATOM 156 O MET A 79 3.550 -13.268 -15.644 1.00 0.00 O ATOM 157 CB MET A 79 3.533 -14.734 -12.819 1.00 0.00 C ATOM 158 CG MET A 79 2.946 -14.955 -11.424 1.00 0.00 C ATOM 159 SD MET A 79 3.136 -16.694 -10.954 1.00 0.00 S ATOM 160 CE MET A 79 4.936 -16.694 -10.739 1.00 0.00 C ATOM 0 HA MET A 79 3.610 -12.616 -12.482 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.087 -15.432 -13.527 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.605 -14.932 -12.809 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.451 -14.315 -10.700 1.00 0.00 H new ATOM 0 HG3 MET A 79 1.892 -14.678 -11.414 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.225 -17.522 -10.091 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.418 -16.807 -11.710 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.248 -15.753 -10.286 1.00 0.00 H new ATOM 170 N THR A 80 5.236 -12.459 -14.397 1.00 0.00 N ATOM 171 CA THR A 80 6.058 -12.133 -15.554 1.00 0.00 C ATOM 172 C THR A 80 6.663 -13.399 -16.150 1.00 0.00 C ATOM 173 O THR A 80 6.699 -14.446 -15.503 1.00 0.00 O ATOM 174 CB THR A 80 7.179 -11.176 -15.145 1.00 0.00 C ATOM 175 OG1 THR A 80 8.048 -11.835 -14.237 1.00 0.00 O ATOM 176 CG2 THR A 80 6.578 -9.941 -14.472 1.00 0.00 C ATOM 0 H THR A 80 5.658 -12.233 -13.496 1.00 0.00 H new ATOM 0 HA THR A 80 5.427 -11.654 -16.303 1.00 0.00 H new ATOM 0 HB THR A 80 7.738 -10.869 -16.029 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.769 -11.226 -13.974 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.378 -9.260 -14.181 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.908 -9.437 -15.168 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.020 -10.245 -13.586 1.00 0.00 H new ATOM 184 N GLU A 81 7.145 -13.294 -17.383 1.00 0.00 N ATOM 185 CA GLU A 81 7.754 -14.437 -18.047 1.00 0.00 C ATOM 186 C GLU A 81 8.981 -14.890 -17.270 1.00 0.00 C ATOM 187 O GLU A 81 9.253 -16.085 -17.157 1.00 0.00 O ATOM 188 CB GLU A 81 8.154 -14.073 -19.483 1.00 0.00 C ATOM 189 CG GLU A 81 8.739 -15.302 -20.196 1.00 0.00 C ATOM 190 CD GLU A 81 7.683 -16.396 -20.304 1.00 0.00 C ATOM 191 OE1 GLU A 81 6.510 -16.066 -20.243 1.00 0.00 O ATOM 192 OE2 GLU A 81 8.062 -17.548 -20.440 1.00 0.00 O ATOM 0 H GLU A 81 7.126 -12.438 -17.937 1.00 0.00 H new ATOM 0 HA GLU A 81 7.027 -15.249 -18.082 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.285 -13.706 -20.029 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.887 -13.267 -19.471 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.088 -15.023 -21.190 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.604 -15.674 -19.647 1.00 0.00 H new ATOM 199 N GLU A 82 9.728 -13.925 -16.750 1.00 0.00 N ATOM 200 CA GLU A 82 10.935 -14.235 -15.998 1.00 0.00 C ATOM 201 C GLU A 82 10.582 -15.077 -14.780 1.00 0.00 C ATOM 202 O GLU A 82 11.272 -16.048 -14.464 1.00 0.00 O ATOM 203 CB GLU A 82 11.606 -12.931 -15.549 1.00 0.00 C ATOM 204 CG GLU A 82 12.923 -13.235 -14.827 1.00 0.00 C ATOM 205 CD GLU A 82 13.904 -13.892 -15.790 1.00 0.00 C ATOM 206 OE1 GLU A 82 13.749 -13.696 -16.984 1.00 0.00 O ATOM 207 OE2 GLU A 82 14.792 -14.585 -15.321 1.00 0.00 O ATOM 0 H GLU A 82 9.521 -12.930 -16.834 1.00 0.00 H new ATOM 0 HA GLU A 82 11.621 -14.796 -16.632 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.795 -12.294 -16.413 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.939 -12.379 -14.887 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.351 -12.314 -14.430 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.739 -13.893 -13.978 1.00 0.00 H new ATOM 214 N GLU A 83 9.499 -14.707 -14.106 1.00 0.00 N ATOM 215 CA GLU A 83 9.056 -15.446 -12.931 1.00 0.00 C ATOM 216 C GLU A 83 8.648 -16.867 -13.310 1.00 0.00 C ATOM 217 O GLU A 83 8.929 -17.818 -12.585 1.00 0.00 O ATOM 218 CB GLU A 83 7.874 -14.731 -12.277 1.00 0.00 C ATOM 219 CG GLU A 83 8.362 -13.443 -11.611 1.00 0.00 C ATOM 220 CD GLU A 83 7.169 -12.619 -11.136 1.00 0.00 C ATOM 221 OE1 GLU A 83 6.080 -12.850 -11.634 1.00 0.00 O ATOM 222 OE2 GLU A 83 7.362 -11.775 -10.278 1.00 0.00 O ATOM 0 H GLU A 83 8.916 -13.906 -14.351 1.00 0.00 H new ATOM 0 HA GLU A 83 9.885 -15.495 -12.225 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.115 -14.501 -13.025 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.406 -15.381 -11.537 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.009 -13.682 -10.767 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.958 -12.863 -12.315 1.00 0.00 H new ATOM 229 N GLN A 84 7.982 -17.000 -14.448 1.00 0.00 N ATOM 230 CA GLN A 84 7.534 -18.310 -14.913 1.00 0.00 C ATOM 231 C GLN A 84 8.726 -19.224 -15.164 1.00 0.00 C ATOM 232 O GLN A 84 8.695 -20.410 -14.838 1.00 0.00 O ATOM 233 CB GLN A 84 6.735 -18.145 -16.207 1.00 0.00 C ATOM 234 CG GLN A 84 5.400 -17.457 -15.909 1.00 0.00 C ATOM 235 CD GLN A 84 4.502 -18.381 -15.094 1.00 0.00 C ATOM 236 OE1 GLN A 84 4.303 -19.538 -15.466 1.00 0.00 O ATOM 237 NE2 GLN A 84 3.941 -17.940 -14.003 1.00 0.00 N ATOM 0 H GLN A 84 7.740 -16.224 -15.065 1.00 0.00 H new ATOM 0 HA GLN A 84 6.905 -18.759 -14.145 1.00 0.00 H new ATOM 0 HB2 GLN A 84 7.306 -17.556 -16.925 1.00 0.00 H new ATOM 0 HB3 GLN A 84 6.559 -19.119 -16.663 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.574 -16.531 -15.361 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.905 -17.187 -16.842 1.00 0.00 H new ATOM 0 HE21 GLN A 84 4.107 -16.982 -13.696 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.337 -18.553 -13.456 1.00 0.00 H new ATOM 246 N PHE A 85 9.782 -18.663 -15.740 1.00 0.00 N ATOM 247 CA PHE A 85 10.984 -19.434 -16.027 1.00 0.00 C ATOM 248 C PHE A 85 11.585 -19.983 -14.738 1.00 0.00 C ATOM 249 O PHE A 85 11.952 -21.155 -14.661 1.00 0.00 O ATOM 250 CB PHE A 85 12.011 -18.558 -16.747 1.00 0.00 C ATOM 251 CG PHE A 85 13.270 -19.357 -16.994 1.00 0.00 C ATOM 252 CD1 PHE A 85 13.267 -20.390 -17.939 1.00 0.00 C ATOM 253 CD2 PHE A 85 14.442 -19.062 -16.283 1.00 0.00 C ATOM 254 CE1 PHE A 85 14.432 -21.127 -18.174 1.00 0.00 C ATOM 255 CE2 PHE A 85 15.608 -19.803 -16.519 1.00 0.00 C ATOM 256 CZ PHE A 85 15.603 -20.834 -17.464 1.00 0.00 C ATOM 0 H PHE A 85 9.830 -17.682 -16.016 1.00 0.00 H new ATOM 0 HA PHE A 85 10.713 -20.270 -16.672 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.602 -18.202 -17.693 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.238 -17.677 -16.146 1.00 0.00 H new ATOM 0 HD1 PHE A 85 12.365 -20.618 -18.487 1.00 0.00 H new ATOM 0 HD2 PHE A 85 14.446 -18.265 -15.554 1.00 0.00 H new ATOM 0 HE1 PHE A 85 14.429 -21.923 -18.904 1.00 0.00 H new ATOM 0 HE2 PHE A 85 16.511 -19.578 -15.971 1.00 0.00 H new ATOM 0 HZ PHE A 85 16.502 -21.404 -17.646 1.00 0.00 H new ATOM 266 N ALA A 86 11.689 -19.128 -13.727 1.00 0.00 N ATOM 267 CA ALA A 86 12.253 -19.544 -12.449 1.00 0.00 C ATOM 268 C ALA A 86 11.424 -20.671 -11.842 1.00 0.00 C ATOM 269 O ALA A 86 11.968 -21.640 -11.309 1.00 0.00 O ATOM 270 CB ALA A 86 12.283 -18.357 -11.488 1.00 0.00 C ATOM 0 H ALA A 86 11.394 -18.153 -13.766 1.00 0.00 H new ATOM 0 HA ALA A 86 13.268 -19.904 -12.616 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.705 -18.672 -10.534 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.896 -17.562 -11.911 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.269 -17.989 -11.332 1.00 0.00 H new ATOM 276 N LEU A 87 10.107 -20.546 -11.936 1.00 0.00 N ATOM 277 CA LEU A 87 9.213 -21.567 -11.402 1.00 0.00 C ATOM 278 C LEU A 87 9.404 -22.881 -12.154 1.00 0.00 C ATOM 279 O LEU A 87 9.335 -23.959 -11.564 1.00 0.00 O ATOM 280 CB LEU A 87 7.746 -21.090 -11.517 1.00 0.00 C ATOM 281 CG LEU A 87 7.277 -20.487 -10.178 1.00 0.00 C ATOM 282 CD1 LEU A 87 7.157 -21.598 -9.103 1.00 0.00 C ATOM 283 CD2 LEU A 87 8.279 -19.399 -9.721 1.00 0.00 C ATOM 0 H LEU A 87 9.636 -19.754 -12.373 1.00 0.00 H new ATOM 0 HA LEU A 87 9.450 -21.733 -10.351 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.658 -20.347 -12.310 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.104 -21.927 -11.792 1.00 0.00 H new ATOM 0 HG LEU A 87 6.296 -20.032 -10.313 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.825 -21.159 -8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.434 -22.345 -9.431 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.128 -22.072 -8.960 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.947 -18.973 -8.774 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.266 -19.844 -9.592 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.331 -18.613 -10.474 1.00 0.00 H new ATOM 295 N ALA A 88 9.631 -22.781 -13.452 1.00 0.00 N ATOM 296 CA ALA A 88 9.818 -23.969 -14.263 1.00 0.00 C ATOM 297 C ALA A 88 11.024 -24.760 -13.771 1.00 0.00 C ATOM 298 O ALA A 88 10.979 -25.986 -13.675 1.00 0.00 O ATOM 299 CB ALA A 88 10.035 -23.560 -15.718 1.00 0.00 C ATOM 0 H ALA A 88 9.690 -21.899 -13.962 1.00 0.00 H new ATOM 0 HA ALA A 88 8.930 -24.596 -14.185 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.176 -24.451 -16.329 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.165 -23.009 -16.075 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.920 -22.927 -15.790 1.00 0.00 H new ATOM 305 N LEU A 89 12.094 -24.049 -13.445 1.00 0.00 N ATOM 306 CA LEU A 89 13.304 -24.695 -12.950 1.00 0.00 C ATOM 307 C LEU A 89 13.042 -25.376 -11.614 1.00 0.00 C ATOM 308 O LEU A 89 13.550 -26.466 -11.349 1.00 0.00 O ATOM 309 CB LEU A 89 14.422 -23.662 -12.795 1.00 0.00 C ATOM 310 CG LEU A 89 14.870 -23.169 -14.179 1.00 0.00 C ATOM 311 CD1 LEU A 89 15.835 -21.991 -14.003 1.00 0.00 C ATOM 312 CD2 LEU A 89 15.566 -24.305 -14.963 1.00 0.00 C ATOM 0 H LEU A 89 12.151 -23.033 -13.513 1.00 0.00 H new ATOM 0 HA LEU A 89 13.610 -25.452 -13.672 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.073 -22.822 -12.195 1.00 0.00 H new ATOM 0 HB3 LEU A 89 15.266 -24.103 -12.265 1.00 0.00 H new ATOM 0 HG LEU A 89 13.994 -22.850 -14.744 1.00 0.00 H new ATOM 0 HD11 LEU A 89 16.157 -21.636 -14.982 1.00 0.00 H new ATOM 0 HD12 LEU A 89 15.331 -21.184 -13.472 1.00 0.00 H new ATOM 0 HD13 LEU A 89 16.704 -22.315 -13.430 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.876 -23.936 -15.941 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.441 -24.646 -14.410 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.872 -25.136 -15.092 1.00 0.00 H new ATOM 324 N LYS A 90 12.254 -24.725 -10.772 1.00 0.00 N ATOM 325 CA LYS A 90 11.941 -25.276 -9.465 1.00 0.00 C ATOM 326 C LYS A 90 11.163 -26.580 -9.609 1.00 0.00 C ATOM 327 O LYS A 90 11.412 -27.547 -8.888 1.00 0.00 O ATOM 328 CB LYS A 90 11.108 -24.266 -8.674 1.00 0.00 C ATOM 329 CG LYS A 90 10.969 -24.736 -7.221 1.00 0.00 C ATOM 330 CD LYS A 90 9.997 -23.811 -6.450 1.00 0.00 C ATOM 331 CE LYS A 90 8.587 -24.412 -6.447 1.00 0.00 C ATOM 332 NZ LYS A 90 8.126 -24.604 -7.850 1.00 0.00 N ATOM 0 H LYS A 90 11.823 -23.822 -10.969 1.00 0.00 H new ATOM 0 HA LYS A 90 12.872 -25.481 -8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.582 -23.285 -8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.123 -24.158 -9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.602 -25.762 -7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.945 -24.735 -6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.346 -23.677 -5.426 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.979 -22.824 -6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.588 -25.366 -5.919 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.901 -23.754 -5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.086 -24.613 -7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.480 -23.825 -8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.489 -25.508 -8.214 1.00 0.00 H new ATOM 346 N MET A 91 10.225 -26.604 -10.549 1.00 0.00 N ATOM 347 CA MET A 91 9.423 -27.800 -10.776 1.00 0.00 C ATOM 348 C MET A 91 10.302 -28.949 -11.262 1.00 0.00 C ATOM 349 O MET A 91 10.122 -30.097 -10.856 1.00 0.00 O ATOM 350 CB MET A 91 8.338 -27.505 -11.814 1.00 0.00 C ATOM 351 CG MET A 91 7.305 -26.536 -11.227 1.00 0.00 C ATOM 352 SD MET A 91 6.387 -27.351 -9.895 1.00 0.00 S ATOM 353 CE MET A 91 5.247 -25.992 -9.541 1.00 0.00 C ATOM 0 H MET A 91 10.003 -25.818 -11.160 1.00 0.00 H new ATOM 0 HA MET A 91 8.956 -28.091 -9.835 1.00 0.00 H new ATOM 0 HB2 MET A 91 8.786 -27.074 -12.709 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.850 -28.432 -12.116 1.00 0.00 H new ATOM 0 HG2 MET A 91 7.804 -25.645 -10.845 1.00 0.00 H new ATOM 0 HG3 MET A 91 6.618 -26.207 -12.006 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.788 -26.147 -8.565 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.794 -25.049 -9.539 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.471 -25.960 -10.306 1.00 0.00 H new ATOM 363 N SER A 92 11.253 -28.630 -12.133 1.00 0.00 N ATOM 364 CA SER A 92 12.158 -29.640 -12.671 1.00 0.00 C ATOM 365 C SER A 92 12.989 -30.264 -11.555 1.00 0.00 C ATOM 366 O SER A 92 13.208 -31.474 -11.536 1.00 0.00 O ATOM 367 CB SER A 92 13.086 -29.012 -13.709 1.00 0.00 C ATOM 368 OG SER A 92 13.968 -30.008 -14.211 1.00 0.00 O ATOM 0 H SER A 92 11.417 -27.685 -12.480 1.00 0.00 H new ATOM 0 HA SER A 92 11.560 -30.419 -13.144 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.503 -28.582 -14.523 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.655 -28.198 -13.260 1.00 0.00 H new ATOM 0 HG SER A 92 14.565 -29.610 -14.879 1.00 0.00 H new ATOM 374 N GLU A 93 13.452 -29.432 -10.631 1.00 0.00 N ATOM 375 CA GLU A 93 14.262 -29.918 -9.522 1.00 0.00 C ATOM 376 C GLU A 93 13.454 -30.871 -8.650 1.00 0.00 C ATOM 377 O GLU A 93 13.968 -31.886 -8.181 1.00 0.00 O ATOM 378 CB GLU A 93 14.748 -28.737 -8.681 1.00 0.00 C ATOM 379 CG GLU A 93 15.788 -27.939 -9.472 1.00 0.00 C ATOM 380 CD GLU A 93 16.046 -26.601 -8.789 1.00 0.00 C ATOM 381 OE1 GLU A 93 15.387 -26.326 -7.800 1.00 0.00 O ATOM 382 OE2 GLU A 93 16.892 -25.866 -9.271 1.00 0.00 O ATOM 0 H GLU A 93 13.283 -28.426 -10.627 1.00 0.00 H new ATOM 0 HA GLU A 93 15.121 -30.455 -9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.907 -28.096 -8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 93 15.182 -29.096 -7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 93 16.716 -28.506 -9.543 1.00 0.00 H new ATOM 0 HG3 GLU A 93 15.436 -27.775 -10.490 1.00 0.00 H new ATOM 389 N GLN A 94 12.183 -30.544 -8.438 1.00 0.00 N ATOM 390 CA GLN A 94 11.317 -31.389 -7.623 1.00 0.00 C ATOM 391 C GLN A 94 11.155 -32.766 -8.261 1.00 0.00 C ATOM 392 O GLN A 94 11.198 -33.788 -7.575 1.00 0.00 O ATOM 393 CB GLN A 94 9.943 -30.735 -7.473 1.00 0.00 C ATOM 394 CG GLN A 94 10.061 -29.503 -6.575 1.00 0.00 C ATOM 395 CD GLN A 94 8.749 -28.725 -6.585 1.00 0.00 C ATOM 396 OE1 GLN A 94 8.032 -28.727 -7.585 1.00 0.00 O ATOM 397 NE2 GLN A 94 8.388 -28.060 -5.522 1.00 0.00 N ATOM 0 H GLN A 94 11.734 -29.709 -8.815 1.00 0.00 H new ATOM 0 HA GLN A 94 11.776 -31.506 -6.641 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.555 -30.450 -8.451 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.235 -31.445 -7.044 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.306 -29.806 -5.557 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.874 -28.866 -6.922 1.00 0.00 H new ATOM 0 HE21 GLN A 94 8.984 -28.060 -4.694 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.510 -27.541 -5.519 1.00 0.00 H new ATOM 406 N GLU A 95 10.976 -32.785 -9.577 1.00 0.00 N ATOM 407 CA GLU A 95 10.815 -34.043 -10.301 1.00 0.00 C ATOM 408 C GLU A 95 12.138 -34.800 -10.356 1.00 0.00 C ATOM 409 O GLU A 95 12.161 -36.029 -10.398 1.00 0.00 O ATOM 410 CB GLU A 95 10.310 -33.771 -11.718 1.00 0.00 C ATOM 411 CG GLU A 95 8.921 -33.128 -11.648 1.00 0.00 C ATOM 412 CD GLU A 95 7.907 -34.131 -11.105 1.00 0.00 C ATOM 413 OE1 GLU A 95 8.199 -35.315 -11.134 1.00 0.00 O ATOM 414 OE2 GLU A 95 6.854 -33.699 -10.666 1.00 0.00 O ATOM 0 H GLU A 95 10.939 -31.950 -10.162 1.00 0.00 H new ATOM 0 HA GLU A 95 10.084 -34.656 -9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 95 11.002 -33.112 -12.242 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.264 -34.701 -12.285 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.951 -32.247 -11.008 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.617 -32.792 -12.639 1.00 0.00 H new ATOM 421 N ALA A 96 13.234 -34.053 -10.364 1.00 0.00 N ATOM 422 CA ALA A 96 14.563 -34.650 -10.420 1.00 0.00 C ATOM 423 C ALA A 96 14.827 -35.488 -9.176 1.00 0.00 C ATOM 424 O ALA A 96 15.696 -36.354 -9.174 1.00 0.00 O ATOM 425 CB ALA A 96 15.625 -33.555 -10.538 1.00 0.00 C ATOM 0 H ALA A 96 13.230 -33.033 -10.332 1.00 0.00 H new ATOM 0 HA ALA A 96 14.613 -35.297 -11.296 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.614 -34.011 -10.579 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.453 -32.978 -11.447 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.565 -32.895 -9.672 1.00 0.00 H new ATOM 431 N ARG A 97 14.075 -35.225 -8.117 1.00 0.00 N ATOM 432 CA ARG A 97 14.250 -35.966 -6.873 1.00 0.00 C ATOM 433 C ARG A 97 13.928 -37.444 -7.079 1.00 0.00 C ATOM 434 O ARG A 97 14.427 -38.304 -6.354 1.00 0.00 O ATOM 435 CB ARG A 97 13.334 -35.389 -5.792 1.00 0.00 C ATOM 436 CG ARG A 97 13.837 -34.005 -5.382 1.00 0.00 C ATOM 437 CD ARG A 97 12.955 -33.452 -4.261 1.00 0.00 C ATOM 438 NE ARG A 97 11.620 -33.151 -4.767 1.00 0.00 N ATOM 439 CZ ARG A 97 10.625 -32.848 -3.938 1.00 0.00 C ATOM 440 NH1 ARG A 97 10.832 -32.830 -2.651 1.00 0.00 N ATOM 441 NH2 ARG A 97 9.442 -32.573 -4.413 1.00 0.00 N ATOM 0 H ARG A 97 13.345 -34.513 -8.092 1.00 0.00 H new ATOM 0 HA ARG A 97 15.290 -35.873 -6.558 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.312 -35.320 -6.165 1.00 0.00 H new ATOM 0 HB3 ARG A 97 13.313 -36.051 -4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.872 -34.067 -5.047 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.819 -33.331 -6.239 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.889 -34.177 -3.450 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.406 -32.550 -3.846 1.00 0.00 H new ATOM 0 HE ARG A 97 11.447 -33.173 -5.772 1.00 0.00 H new ATOM 0 HH11 ARG A 97 11.757 -33.048 -2.280 1.00 0.00 H new ATOM 0 HH12 ARG A 97 10.069 -32.598 -2.015 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.280 -32.590 -5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.679 -32.341 -3.778 1.00 0.00 H new ATOM 455 N GLU A 98 13.093 -37.734 -8.074 1.00 0.00 N ATOM 456 CA GLU A 98 12.712 -39.113 -8.364 1.00 0.00 C ATOM 457 C GLU A 98 13.839 -39.855 -9.073 1.00 0.00 C ATOM 458 O GLU A 98 13.817 -41.081 -9.192 1.00 0.00 O ATOM 459 CB GLU A 98 11.446 -39.131 -9.229 1.00 0.00 C ATOM 460 CG GLU A 98 10.220 -38.831 -8.362 1.00 0.00 C ATOM 461 CD GLU A 98 10.363 -37.461 -7.709 1.00 0.00 C ATOM 462 OE1 GLU A 98 9.952 -36.490 -8.320 1.00 0.00 O ATOM 463 OE2 GLU A 98 10.880 -37.402 -6.606 1.00 0.00 O ATOM 0 H GLU A 98 12.670 -37.038 -8.688 1.00 0.00 H new ATOM 0 HA GLU A 98 12.513 -39.620 -7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.529 -38.392 -10.026 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.335 -40.104 -9.707 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.317 -38.859 -8.973 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.110 -39.598 -7.596 1.00 0.00 H new ATOM 470 N VAL A 99 14.812 -39.098 -9.541 1.00 0.00 N ATOM 471 CA VAL A 99 15.958 -39.668 -10.249 1.00 0.00 C ATOM 472 C VAL A 99 16.997 -40.185 -9.260 1.00 0.00 C ATOM 473 O VAL A 99 17.312 -39.521 -8.272 1.00 0.00 O ATOM 474 CB VAL A 99 16.594 -38.622 -11.165 1.00 0.00 C ATOM 475 CG1 VAL A 99 17.819 -39.228 -11.854 1.00 0.00 C ATOM 476 CG2 VAL A 99 15.578 -38.186 -12.223 1.00 0.00 C ATOM 0 H VAL A 99 14.838 -38.083 -9.447 1.00 0.00 H new ATOM 0 HA VAL A 99 15.602 -40.502 -10.854 1.00 0.00 H new ATOM 0 HB VAL A 99 16.898 -37.757 -10.575 1.00 0.00 H new ATOM 0 HG11 VAL A 99 18.274 -38.484 -12.508 1.00 0.00 H new ATOM 0 HG12 VAL A 99 18.542 -39.541 -11.101 1.00 0.00 H new ATOM 0 HG13 VAL A 99 17.514 -40.092 -12.445 1.00 0.00 H new ATOM 0 HG21 VAL A 99 16.031 -37.440 -12.877 1.00 0.00 H new ATOM 0 HG22 VAL A 99 15.275 -39.050 -12.814 1.00 0.00 H new ATOM 0 HG23 VAL A 99 14.704 -37.757 -11.733 1.00 0.00 H new ATOM 603 N GLU A 108 23.493 -33.516 -13.396 1.00 0.00 N ATOM 604 CA GLU A 108 24.041 -32.293 -12.829 1.00 0.00 C ATOM 605 C GLU A 108 25.158 -31.751 -13.714 1.00 0.00 C ATOM 606 O GLU A 108 25.261 -30.544 -13.930 1.00 0.00 O ATOM 607 CB GLU A 108 24.591 -32.572 -11.427 1.00 0.00 C ATOM 608 CG GLU A 108 24.917 -31.251 -10.725 1.00 0.00 C ATOM 609 CD GLU A 108 23.629 -30.493 -10.419 1.00 0.00 C ATOM 610 OE1 GLU A 108 23.077 -30.709 -9.353 1.00 0.00 O ATOM 611 OE2 GLU A 108 23.212 -29.711 -11.257 1.00 0.00 O ATOM 0 HA GLU A 108 23.245 -31.551 -12.768 1.00 0.00 H new ATOM 0 HB2 GLU A 108 23.860 -33.133 -10.845 1.00 0.00 H new ATOM 0 HB3 GLU A 108 25.487 -33.189 -11.494 1.00 0.00 H new ATOM 0 HG2 GLU A 108 25.463 -31.445 -9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 108 25.565 -30.644 -11.357 1.00 0.00 H new ATOM 618 N LEU A 109 25.992 -32.649 -14.225 1.00 0.00 N ATOM 619 CA LEU A 109 27.097 -32.241 -15.082 1.00 0.00 C ATOM 620 C LEU A 109 26.574 -31.579 -16.352 1.00 0.00 C ATOM 621 O LEU A 109 27.120 -30.575 -16.810 1.00 0.00 O ATOM 622 CB LEU A 109 27.935 -33.470 -15.454 1.00 0.00 C ATOM 623 CG LEU A 109 28.677 -33.994 -14.215 1.00 0.00 C ATOM 624 CD1 LEU A 109 29.304 -35.354 -14.539 1.00 0.00 C ATOM 625 CD2 LEU A 109 29.783 -33.004 -13.783 1.00 0.00 C ATOM 0 H LEU A 109 25.925 -33.654 -14.063 1.00 0.00 H new ATOM 0 HA LEU A 109 27.713 -31.522 -14.541 1.00 0.00 H new ATOM 0 HB2 LEU A 109 27.291 -34.250 -15.860 1.00 0.00 H new ATOM 0 HB3 LEU A 109 28.651 -33.210 -16.234 1.00 0.00 H new ATOM 0 HG LEU A 109 27.965 -34.098 -13.396 1.00 0.00 H new ATOM 0 HD11 LEU A 109 29.832 -35.730 -13.662 1.00 0.00 H new ATOM 0 HD12 LEU A 109 28.521 -36.058 -14.820 1.00 0.00 H new ATOM 0 HD13 LEU A 109 30.006 -35.243 -15.365 1.00 0.00 H new ATOM 0 HD21 LEU A 109 30.297 -33.393 -12.904 1.00 0.00 H new ATOM 0 HD22 LEU A 109 30.498 -32.880 -14.596 1.00 0.00 H new ATOM 0 HD23 LEU A 109 29.335 -32.040 -13.544 1.00 0.00 H new ATOM 637 N LEU A 110 25.513 -32.143 -16.912 1.00 0.00 N ATOM 638 CA LEU A 110 24.928 -31.593 -18.127 1.00 0.00 C ATOM 639 C LEU A 110 24.291 -30.235 -17.850 1.00 0.00 C ATOM 640 O LEU A 110 24.403 -29.309 -18.654 1.00 0.00 O ATOM 641 CB LEU A 110 23.872 -32.558 -18.667 1.00 0.00 C ATOM 642 CG LEU A 110 24.547 -33.863 -19.120 1.00 0.00 C ATOM 643 CD1 LEU A 110 23.468 -34.885 -19.484 1.00 0.00 C ATOM 644 CD2 LEU A 110 25.458 -33.607 -20.340 1.00 0.00 C ATOM 0 H LEU A 110 25.044 -32.973 -16.549 1.00 0.00 H new ATOM 0 HA LEU A 110 25.717 -31.461 -18.867 1.00 0.00 H new ATOM 0 HB2 LEU A 110 23.130 -32.769 -17.897 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.342 -32.102 -19.503 1.00 0.00 H new ATOM 0 HG LEU A 110 25.162 -34.248 -18.306 1.00 0.00 H new ATOM 0 HD11 LEU A 110 23.940 -35.813 -19.806 1.00 0.00 H new ATOM 0 HD12 LEU A 110 22.842 -35.079 -18.613 1.00 0.00 H new ATOM 0 HD13 LEU A 110 22.852 -34.491 -20.293 1.00 0.00 H new ATOM 0 HD21 LEU A 110 25.927 -34.542 -20.646 1.00 0.00 H new ATOM 0 HD22 LEU A 110 24.862 -33.213 -21.163 1.00 0.00 H new ATOM 0 HD23 LEU A 110 26.229 -32.885 -20.073 1.00 0.00 H new ATOM 656 N ARG A 111 23.631 -30.127 -16.707 1.00 0.00 N ATOM 657 CA ARG A 111 22.982 -28.881 -16.329 1.00 0.00 C ATOM 658 C ARG A 111 24.013 -27.781 -16.129 1.00 0.00 C ATOM 659 O ARG A 111 23.784 -26.626 -16.492 1.00 0.00 O ATOM 660 CB ARG A 111 22.184 -29.089 -15.037 1.00 0.00 C ATOM 661 CG ARG A 111 20.978 -30.010 -15.296 1.00 0.00 C ATOM 662 CD ARG A 111 19.799 -29.207 -15.864 1.00 0.00 C ATOM 663 NE ARG A 111 18.667 -30.091 -16.114 1.00 0.00 N ATOM 664 CZ ARG A 111 17.831 -30.428 -15.141 1.00 0.00 C ATOM 665 NH1 ARG A 111 18.021 -29.972 -13.933 1.00 0.00 N ATOM 666 NH2 ARG A 111 16.822 -31.216 -15.393 1.00 0.00 N ATOM 0 H ARG A 111 23.531 -30.882 -16.029 1.00 0.00 H new ATOM 0 HA ARG A 111 22.306 -28.580 -17.129 1.00 0.00 H new ATOM 0 HB2 ARG A 111 22.826 -29.525 -14.272 1.00 0.00 H new ATOM 0 HB3 ARG A 111 21.841 -28.128 -14.655 1.00 0.00 H new ATOM 0 HG2 ARG A 111 21.259 -30.798 -15.995 1.00 0.00 H new ATOM 0 HG3 ARG A 111 20.680 -30.498 -14.368 1.00 0.00 H new ATOM 0 HD2 ARG A 111 19.511 -28.423 -15.163 1.00 0.00 H new ATOM 0 HD3 ARG A 111 20.097 -28.714 -16.789 1.00 0.00 H new ATOM 0 HE ARG A 111 18.515 -30.457 -17.054 1.00 0.00 H new ATOM 0 HH11 ARG A 111 18.811 -29.357 -13.738 1.00 0.00 H new ATOM 0 HH12 ARG A 111 17.379 -30.230 -13.184 1.00 0.00 H new ATOM 0 HH21 ARG A 111 16.677 -31.572 -16.338 1.00 0.00 H new ATOM 0 HH22 ARG A 111 16.179 -31.476 -14.645 1.00 0.00 H new ATOM 680 N LYS A 112 25.143 -28.142 -15.541 1.00 0.00 N ATOM 681 CA LYS A 112 26.194 -27.173 -15.291 1.00 0.00 C ATOM 682 C LYS A 112 26.717 -26.602 -16.605 1.00 0.00 C ATOM 683 O LYS A 112 26.958 -25.400 -16.717 1.00 0.00 O ATOM 684 CB LYS A 112 27.346 -27.838 -14.534 1.00 0.00 C ATOM 685 CG LYS A 112 28.322 -26.769 -14.006 1.00 0.00 C ATOM 686 CD LYS A 112 27.853 -26.264 -12.635 1.00 0.00 C ATOM 687 CE LYS A 112 28.799 -25.170 -12.142 1.00 0.00 C ATOM 688 NZ LYS A 112 28.586 -23.936 -12.948 1.00 0.00 N ATOM 0 H LYS A 112 25.353 -29.091 -15.231 1.00 0.00 H new ATOM 0 HA LYS A 112 25.780 -26.363 -14.691 1.00 0.00 H new ATOM 0 HB2 LYS A 112 26.954 -28.425 -13.704 1.00 0.00 H new ATOM 0 HB3 LYS A 112 27.873 -28.529 -15.192 1.00 0.00 H new ATOM 0 HG2 LYS A 112 29.325 -27.188 -13.925 1.00 0.00 H new ATOM 0 HG3 LYS A 112 28.380 -25.938 -14.709 1.00 0.00 H new ATOM 0 HD2 LYS A 112 26.837 -25.875 -12.707 1.00 0.00 H new ATOM 0 HD3 LYS A 112 27.829 -27.087 -11.921 1.00 0.00 H new ATOM 0 HE2 LYS A 112 28.618 -24.965 -11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 112 29.834 -25.501 -12.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 29.014 -23.124 -12.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 29.029 -24.051 -13.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 27.566 -23.770 -13.066 1.00 0.00 H new ATOM 702 N ALA A 113 26.899 -27.472 -17.595 1.00 0.00 N ATOM 703 CA ALA A 113 27.404 -27.038 -18.890 1.00 0.00 C ATOM 704 C ALA A 113 26.455 -26.030 -19.527 1.00 0.00 C ATOM 705 O ALA A 113 26.886 -25.035 -20.109 1.00 0.00 O ATOM 706 CB ALA A 113 27.565 -28.243 -19.818 1.00 0.00 C ATOM 0 H ALA A 113 26.706 -28.471 -17.525 1.00 0.00 H new ATOM 0 HA ALA A 113 28.373 -26.562 -18.738 1.00 0.00 H new ATOM 0 HB1 ALA A 113 27.943 -27.910 -20.785 1.00 0.00 H new ATOM 0 HB2 ALA A 113 28.268 -28.950 -19.377 1.00 0.00 H new ATOM 0 HB3 ALA A 113 26.599 -28.729 -19.954 1.00 0.00 H new ATOM 712 N ILE A 114 25.158 -26.292 -19.410 1.00 0.00 N ATOM 713 CA ILE A 114 24.155 -25.397 -19.973 1.00 0.00 C ATOM 714 C ILE A 114 24.226 -24.027 -19.305 1.00 0.00 C ATOM 715 O ILE A 114 24.165 -22.993 -19.972 1.00 0.00 O ATOM 716 CB ILE A 114 22.758 -25.995 -19.784 1.00 0.00 C ATOM 717 CG1 ILE A 114 22.624 -27.250 -20.652 1.00 0.00 C ATOM 718 CG2 ILE A 114 21.697 -24.973 -20.206 1.00 0.00 C ATOM 719 CD1 ILE A 114 21.362 -28.016 -20.251 1.00 0.00 C ATOM 0 H ILE A 114 24.779 -27.111 -18.934 1.00 0.00 H new ATOM 0 HA ILE A 114 24.355 -25.277 -21.038 1.00 0.00 H new ATOM 0 HB ILE A 114 22.614 -26.254 -18.735 1.00 0.00 H new ATOM 0 HG12 ILE A 114 22.575 -26.973 -21.705 1.00 0.00 H new ATOM 0 HG13 ILE A 114 23.502 -27.885 -20.530 1.00 0.00 H new ATOM 0 HG21 ILE A 114 20.704 -25.402 -20.070 1.00 0.00 H new ATOM 0 HG22 ILE A 114 21.792 -24.076 -19.594 1.00 0.00 H new ATOM 0 HG23 ILE A 114 21.839 -24.713 -21.255 1.00 0.00 H new ATOM 0 HD11 ILE A 114 21.267 -28.909 -20.869 1.00 0.00 H new ATOM 0 HD12 ILE A 114 21.430 -28.306 -19.202 1.00 0.00 H new ATOM 0 HD13 ILE A 114 20.489 -27.380 -20.396 1.00 0.00 H new ATOM 731 N ALA A 115 24.345 -24.026 -17.981 1.00 0.00 N ATOM 732 CA ALA A 115 24.410 -22.777 -17.235 1.00 0.00 C ATOM 733 C ALA A 115 25.633 -21.968 -17.653 1.00 0.00 C ATOM 734 O ALA A 115 25.562 -20.746 -17.789 1.00 0.00 O ATOM 735 CB ALA A 115 24.476 -23.070 -15.736 1.00 0.00 C ATOM 0 H ALA A 115 24.398 -24.868 -17.408 1.00 0.00 H new ATOM 0 HA ALA A 115 23.514 -22.196 -17.452 1.00 0.00 H new ATOM 0 HB1 ALA A 115 24.524 -22.132 -15.184 1.00 0.00 H new ATOM 0 HB2 ALA A 115 23.587 -23.623 -15.434 1.00 0.00 H new ATOM 0 HB3 ALA A 115 25.364 -23.664 -15.520 1.00 0.00 H new ATOM 741 N GLU A 116 26.748 -22.654 -17.864 1.00 0.00 N ATOM 742 CA GLU A 116 27.976 -21.982 -18.272 1.00 0.00 C ATOM 743 C GLU A 116 27.793 -21.319 -19.632 1.00 0.00 C ATOM 744 O GLU A 116 28.270 -20.208 -19.863 1.00 0.00 O ATOM 745 CB GLU A 116 29.125 -22.989 -18.342 1.00 0.00 C ATOM 746 CG GLU A 116 29.512 -23.421 -16.926 1.00 0.00 C ATOM 747 CD GLU A 116 30.514 -24.570 -16.988 1.00 0.00 C ATOM 748 OE1 GLU A 116 30.660 -25.146 -18.053 1.00 0.00 O ATOM 749 OE2 GLU A 116 31.120 -24.856 -15.969 1.00 0.00 O ATOM 0 H GLU A 116 26.829 -23.666 -17.761 1.00 0.00 H new ATOM 0 HA GLU A 116 28.212 -21.215 -17.534 1.00 0.00 H new ATOM 0 HB2 GLU A 116 28.827 -23.857 -18.930 1.00 0.00 H new ATOM 0 HB3 GLU A 116 29.983 -22.543 -18.845 1.00 0.00 H new ATOM 0 HG2 GLU A 116 29.944 -22.579 -16.385 1.00 0.00 H new ATOM 0 HG3 GLU A 116 28.624 -23.731 -16.376 1.00 0.00 H new ATOM 756 N SER A 117 27.101 -22.004 -20.533 1.00 0.00 N ATOM 757 CA SER A 117 26.865 -21.465 -21.864 1.00 0.00 C ATOM 758 C SER A 117 26.021 -20.198 -21.789 1.00 0.00 C ATOM 759 O SER A 117 26.260 -19.237 -22.521 1.00 0.00 O ATOM 760 CB SER A 117 26.148 -22.505 -22.724 1.00 0.00 C ATOM 761 OG SER A 117 27.006 -23.620 -22.925 1.00 0.00 O ATOM 0 H SER A 117 26.697 -22.926 -20.368 1.00 0.00 H new ATOM 0 HA SER A 117 27.828 -21.219 -22.313 1.00 0.00 H new ATOM 0 HB2 SER A 117 25.226 -22.824 -22.237 1.00 0.00 H new ATOM 0 HB3 SER A 117 25.867 -22.070 -23.683 1.00 0.00 H new ATOM 0 HG SER A 117 27.053 -24.149 -22.101 1.00 0.00 H new ATOM 767 N LEU A 118 25.028 -20.202 -20.907 1.00 0.00 N ATOM 768 CA LEU A 118 24.155 -19.044 -20.757 1.00 0.00 C ATOM 769 C LEU A 118 24.921 -17.869 -20.160 1.00 0.00 C ATOM 770 O LEU A 118 24.693 -16.716 -20.526 1.00 0.00 O ATOM 771 CB LEU A 118 22.982 -19.405 -19.845 1.00 0.00 C ATOM 772 CG LEU A 118 22.104 -20.472 -20.517 1.00 0.00 C ATOM 773 CD1 LEU A 118 21.044 -20.956 -19.522 1.00 0.00 C ATOM 774 CD2 LEU A 118 21.418 -19.896 -21.775 1.00 0.00 C ATOM 0 H LEU A 118 24.809 -20.985 -20.291 1.00 0.00 H new ATOM 0 HA LEU A 118 23.784 -18.756 -21.740 1.00 0.00 H new ATOM 0 HB2 LEU A 118 23.354 -19.777 -18.890 1.00 0.00 H new ATOM 0 HB3 LEU A 118 22.389 -18.516 -19.632 1.00 0.00 H new ATOM 0 HG LEU A 118 22.733 -21.309 -20.820 1.00 0.00 H new ATOM 0 HD11 LEU A 118 20.419 -21.713 -19.996 1.00 0.00 H new ATOM 0 HD12 LEU A 118 21.534 -21.385 -18.648 1.00 0.00 H new ATOM 0 HD13 LEU A 118 20.423 -20.115 -19.214 1.00 0.00 H new ATOM 0 HD21 LEU A 118 20.801 -20.666 -22.237 1.00 0.00 H new ATOM 0 HD22 LEU A 118 20.792 -19.050 -21.493 1.00 0.00 H new ATOM 0 HD23 LEU A 118 22.177 -19.565 -22.484 1.00 0.00 H new