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 Set 1.1: A 79 MET CE :methyl -156:sc= -0.128 (180deg=-0.854) USER MOD Set 1.2: A 84 GLN : amide:sc= -0.214 X(o=-0.34,f=-0.34) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -153:sc= -0.205 (180deg=-1.19) USER MOD Single : A 92 SER OG : rot -20:sc= 1.02 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 112 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0837) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 153 N MET A 79 2.330 -11.860 -14.203 1.00 0.00 N ATOM 154 CA MET A 79 3.614 -12.500 -13.949 1.00 0.00 C ATOM 155 C MET A 79 4.542 -12.322 -15.143 1.00 0.00 C ATOM 156 O MET A 79 4.137 -12.503 -16.292 1.00 0.00 O ATOM 157 CB MET A 79 3.401 -13.992 -13.689 1.00 0.00 C ATOM 158 CG MET A 79 2.588 -14.176 -12.406 1.00 0.00 C ATOM 159 SD MET A 79 2.489 -15.940 -12.007 1.00 0.00 S ATOM 160 CE MET A 79 1.424 -16.439 -13.387 1.00 0.00 C ATOM 0 HA MET A 79 4.070 -12.035 -13.075 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.880 -14.448 -14.531 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.363 -14.497 -13.598 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.055 -13.631 -11.585 1.00 0.00 H new ATOM 0 HG3 MET A 79 1.587 -13.764 -12.534 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.894 -17.355 -13.125 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.702 -15.649 -13.594 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.034 -16.614 -14.273 1.00 0.00 H new ATOM 170 N THR A 80 5.792 -11.968 -14.864 1.00 0.00 N ATOM 171 CA THR A 80 6.777 -11.770 -15.920 1.00 0.00 C ATOM 172 C THR A 80 7.303 -13.111 -16.420 1.00 0.00 C ATOM 173 O THR A 80 7.109 -14.144 -15.778 1.00 0.00 O ATOM 174 CB THR A 80 7.939 -10.921 -15.401 1.00 0.00 C ATOM 175 OG1 THR A 80 8.606 -11.621 -14.361 1.00 0.00 O ATOM 176 CG2 THR A 80 7.404 -9.592 -14.865 1.00 0.00 C ATOM 0 H THR A 80 6.146 -11.813 -13.920 1.00 0.00 H new ATOM 0 HA THR A 80 6.294 -11.252 -16.748 1.00 0.00 H new ATOM 0 HB THR A 80 8.638 -10.725 -16.214 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.352 -11.079 -14.028 1.00 0.00 H new ATOM 0 HG21 THR A 80 8.233 -8.988 -14.496 1.00 0.00 H new ATOM 0 HG22 THR A 80 6.893 -9.056 -15.665 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.704 -9.783 -14.052 1.00 0.00 H new ATOM 184 N GLU A 81 7.972 -13.085 -17.567 1.00 0.00 N ATOM 185 CA GLU A 81 8.527 -14.302 -18.145 1.00 0.00 C ATOM 186 C GLU A 81 9.564 -14.903 -17.204 1.00 0.00 C ATOM 187 O GLU A 81 9.647 -16.123 -17.053 1.00 0.00 O ATOM 188 CB GLU A 81 9.174 -13.998 -19.499 1.00 0.00 C ATOM 189 CG GLU A 81 9.660 -15.301 -20.139 1.00 0.00 C ATOM 190 CD GLU A 81 10.254 -15.014 -21.514 1.00 0.00 C ATOM 191 OE1 GLU A 81 10.289 -13.856 -21.893 1.00 0.00 O ATOM 192 OE2 GLU A 81 10.662 -15.960 -22.169 1.00 0.00 O ATOM 0 H GLU A 81 8.142 -12.240 -18.112 1.00 0.00 H new ATOM 0 HA GLU A 81 7.718 -15.018 -18.290 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.456 -13.505 -20.154 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.010 -13.311 -19.368 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.408 -15.773 -19.501 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.831 -16.003 -20.231 1.00 0.00 H new ATOM 199 N GLU A 82 10.361 -14.043 -16.578 1.00 0.00 N ATOM 200 CA GLU A 82 11.393 -14.510 -15.662 1.00 0.00 C ATOM 201 C GLU A 82 10.764 -15.253 -14.486 1.00 0.00 C ATOM 202 O GLU A 82 11.253 -16.303 -14.071 1.00 0.00 O ATOM 203 CB GLU A 82 12.205 -13.317 -15.137 1.00 0.00 C ATOM 204 CG GLU A 82 13.386 -13.814 -14.292 1.00 0.00 C ATOM 205 CD GLU A 82 14.370 -14.572 -15.175 1.00 0.00 C ATOM 206 OE1 GLU A 82 14.212 -15.775 -15.308 1.00 0.00 O ATOM 207 OE2 GLU A 82 15.270 -13.940 -15.703 1.00 0.00 O ATOM 0 H GLU A 82 10.313 -13.030 -16.687 1.00 0.00 H new ATOM 0 HA GLU A 82 12.052 -15.191 -16.201 1.00 0.00 H new ATOM 0 HB2 GLU A 82 12.571 -12.720 -15.973 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.566 -12.668 -14.538 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.886 -12.970 -13.817 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.026 -14.462 -13.493 1.00 0.00 H new ATOM 214 N GLU A 83 9.679 -14.706 -13.949 1.00 0.00 N ATOM 215 CA GLU A 83 9.005 -15.340 -12.822 1.00 0.00 C ATOM 216 C GLU A 83 8.450 -16.702 -13.221 1.00 0.00 C ATOM 217 O GLU A 83 8.572 -17.681 -12.481 1.00 0.00 O ATOM 218 CB GLU A 83 7.863 -14.443 -12.337 1.00 0.00 C ATOM 219 CG GLU A 83 8.439 -13.206 -11.650 1.00 0.00 C ATOM 220 CD GLU A 83 7.326 -12.204 -11.361 1.00 0.00 C ATOM 221 OE1 GLU A 83 6.249 -12.370 -11.909 1.00 0.00 O ATOM 222 OE2 GLU A 83 7.567 -11.284 -10.596 1.00 0.00 O ATOM 0 H GLU A 83 9.252 -13.837 -14.270 1.00 0.00 H new ATOM 0 HA GLU A 83 9.729 -15.482 -12.020 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.238 -14.146 -13.179 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.225 -14.992 -11.644 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.932 -13.492 -10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.197 -12.747 -12.285 1.00 0.00 H new ATOM 229 N GLN A 84 7.847 -16.764 -14.401 1.00 0.00 N ATOM 230 CA GLN A 84 7.279 -18.014 -14.885 1.00 0.00 C ATOM 231 C GLN A 84 8.374 -19.056 -15.080 1.00 0.00 C ATOM 232 O GLN A 84 8.192 -20.234 -14.767 1.00 0.00 O ATOM 233 CB GLN A 84 6.542 -17.781 -16.211 1.00 0.00 C ATOM 234 CG GLN A 84 5.821 -19.062 -16.648 1.00 0.00 C ATOM 235 CD GLN A 84 4.744 -19.427 -15.632 1.00 0.00 C ATOM 236 OE1 GLN A 84 4.838 -20.461 -14.970 1.00 0.00 O ATOM 237 NE2 GLN A 84 3.722 -18.633 -15.466 1.00 0.00 N ATOM 0 H GLN A 84 7.739 -15.972 -15.035 1.00 0.00 H new ATOM 0 HA GLN A 84 6.571 -18.382 -14.142 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.822 -16.970 -16.098 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.250 -17.473 -16.980 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.372 -18.919 -17.631 1.00 0.00 H new ATOM 0 HG3 GLN A 84 6.537 -19.879 -16.740 1.00 0.00 H new ATOM 0 HE21 GLN A 84 3.647 -17.777 -16.016 1.00 0.00 H new ATOM 0 HE22 GLN A 84 2.999 -18.868 -14.787 1.00 0.00 H new ATOM 246 N PHE A 85 9.509 -18.613 -15.600 1.00 0.00 N ATOM 247 CA PHE A 85 10.631 -19.511 -15.837 1.00 0.00 C ATOM 248 C PHE A 85 11.127 -20.091 -14.516 1.00 0.00 C ATOM 249 O PHE A 85 11.493 -21.264 -14.437 1.00 0.00 O ATOM 250 CB PHE A 85 11.764 -18.761 -16.538 1.00 0.00 C ATOM 251 CG PHE A 85 12.814 -19.751 -16.992 1.00 0.00 C ATOM 252 CD1 PHE A 85 12.515 -20.660 -18.014 1.00 0.00 C ATOM 253 CD2 PHE A 85 14.085 -19.757 -16.401 1.00 0.00 C ATOM 254 CE1 PHE A 85 13.483 -21.577 -18.444 1.00 0.00 C ATOM 255 CE2 PHE A 85 15.052 -20.673 -16.833 1.00 0.00 C ATOM 256 CZ PHE A 85 14.752 -21.583 -17.853 1.00 0.00 C ATOM 0 H PHE A 85 9.678 -17.643 -15.865 1.00 0.00 H new ATOM 0 HA PHE A 85 10.299 -20.328 -16.478 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.375 -18.208 -17.393 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.206 -18.030 -15.860 1.00 0.00 H new ATOM 0 HD1 PHE A 85 11.537 -20.654 -18.472 1.00 0.00 H new ATOM 0 HD2 PHE A 85 14.318 -19.056 -15.613 1.00 0.00 H new ATOM 0 HE1 PHE A 85 13.250 -22.279 -19.231 1.00 0.00 H new ATOM 0 HE2 PHE A 85 16.031 -20.677 -16.378 1.00 0.00 H new ATOM 0 HZ PHE A 85 15.499 -22.289 -18.184 1.00 0.00 H new ATOM 266 N ALA A 86 11.142 -19.257 -13.478 1.00 0.00 N ATOM 267 CA ALA A 86 11.598 -19.699 -12.165 1.00 0.00 C ATOM 268 C ALA A 86 10.727 -20.842 -11.653 1.00 0.00 C ATOM 269 O ALA A 86 11.228 -21.816 -11.093 1.00 0.00 O ATOM 270 CB ALA A 86 11.542 -18.530 -11.178 1.00 0.00 C ATOM 0 H ALA A 86 10.847 -18.282 -13.521 1.00 0.00 H new ATOM 0 HA ALA A 86 12.625 -20.053 -12.254 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.883 -18.864 -10.198 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.186 -17.724 -11.531 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.517 -18.168 -11.101 1.00 0.00 H new ATOM 276 N LEU A 87 9.420 -20.722 -11.853 1.00 0.00 N ATOM 277 CA LEU A 87 8.494 -21.761 -11.405 1.00 0.00 C ATOM 278 C LEU A 87 8.786 -23.076 -12.123 1.00 0.00 C ATOM 279 O LEU A 87 8.732 -24.151 -11.523 1.00 0.00 O ATOM 280 CB LEU A 87 7.037 -21.317 -11.668 1.00 0.00 C ATOM 281 CG LEU A 87 6.455 -20.622 -10.431 1.00 0.00 C ATOM 282 CD1 LEU A 87 7.234 -19.339 -10.141 1.00 0.00 C ATOM 283 CD2 LEU A 87 4.987 -20.283 -10.691 1.00 0.00 C ATOM 0 H LEU A 87 8.979 -19.927 -12.316 1.00 0.00 H new ATOM 0 HA LEU A 87 8.627 -21.915 -10.334 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.006 -20.640 -12.521 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.428 -22.183 -11.926 1.00 0.00 H new ATOM 0 HG LEU A 87 6.533 -21.287 -9.571 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.815 -18.850 -9.261 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.281 -19.582 -9.958 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.162 -18.668 -10.997 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.567 -19.789 -9.815 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.914 -19.619 -11.552 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.432 -21.199 -10.891 1.00 0.00 H new ATOM 295 N ALA A 88 9.095 -22.982 -13.404 1.00 0.00 N ATOM 296 CA ALA A 88 9.388 -24.172 -14.187 1.00 0.00 C ATOM 297 C ALA A 88 10.598 -24.894 -13.609 1.00 0.00 C ATOM 298 O ALA A 88 10.637 -26.123 -13.555 1.00 0.00 O ATOM 299 CB ALA A 88 9.660 -23.784 -15.641 1.00 0.00 C ATOM 0 H ALA A 88 9.150 -22.104 -13.921 1.00 0.00 H new ATOM 0 HA ALA A 88 8.527 -24.840 -14.150 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.879 -24.680 -16.222 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.782 -23.288 -16.056 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.513 -23.107 -15.683 1.00 0.00 H new ATOM 305 N LEU A 89 11.586 -24.119 -13.179 1.00 0.00 N ATOM 306 CA LEU A 89 12.799 -24.688 -12.605 1.00 0.00 C ATOM 307 C LEU A 89 12.483 -25.452 -11.326 1.00 0.00 C ATOM 308 O LEU A 89 13.057 -26.508 -11.065 1.00 0.00 O ATOM 309 CB LEU A 89 13.805 -23.579 -12.297 1.00 0.00 C ATOM 310 CG LEU A 89 14.330 -22.977 -13.614 1.00 0.00 C ATOM 311 CD1 LEU A 89 15.182 -21.737 -13.307 1.00 0.00 C ATOM 312 CD2 LEU A 89 15.171 -24.019 -14.395 1.00 0.00 C ATOM 0 H LEU A 89 11.572 -23.100 -13.216 1.00 0.00 H new ATOM 0 HA LEU A 89 13.228 -25.378 -13.332 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.333 -22.804 -11.694 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.634 -23.978 -11.712 1.00 0.00 H new ATOM 0 HG LEU A 89 13.480 -22.690 -14.233 1.00 0.00 H new ATOM 0 HD11 LEU A 89 15.554 -21.311 -14.239 1.00 0.00 H new ATOM 0 HD12 LEU A 89 14.574 -20.997 -12.787 1.00 0.00 H new ATOM 0 HD13 LEU A 89 16.025 -22.021 -12.677 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.532 -23.574 -15.322 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.020 -24.331 -13.787 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.553 -24.886 -14.626 1.00 0.00 H new ATOM 324 N LYS A 90 11.574 -24.914 -10.527 1.00 0.00 N ATOM 325 CA LYS A 90 11.206 -25.563 -9.278 1.00 0.00 C ATOM 326 C LYS A 90 10.577 -26.925 -9.549 1.00 0.00 C ATOM 327 O LYS A 90 10.849 -27.895 -8.840 1.00 0.00 O ATOM 328 CB LYS A 90 10.213 -24.687 -8.518 1.00 0.00 C ATOM 329 CG LYS A 90 10.929 -23.437 -7.994 1.00 0.00 C ATOM 330 CD LYS A 90 9.912 -22.454 -7.398 1.00 0.00 C ATOM 331 CE LYS A 90 9.367 -22.994 -6.071 1.00 0.00 C ATOM 332 NZ LYS A 90 8.578 -21.932 -5.393 1.00 0.00 N ATOM 0 H LYS A 90 11.083 -24.041 -10.718 1.00 0.00 H new ATOM 0 HA LYS A 90 12.106 -25.704 -8.680 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.390 -24.400 -9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.780 -25.246 -7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 90 11.660 -23.719 -7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.478 -22.957 -8.804 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.384 -21.484 -7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.092 -22.298 -8.099 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.742 -23.868 -6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.189 -23.316 -5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.207 -22.296 -4.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.188 -21.110 -5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.786 -21.645 -6.003 1.00 0.00 H new ATOM 346 N MET A 91 9.740 -26.995 -10.576 1.00 0.00 N ATOM 347 CA MET A 91 9.087 -28.251 -10.927 1.00 0.00 C ATOM 348 C MET A 91 10.125 -29.279 -11.375 1.00 0.00 C ATOM 349 O MET A 91 10.065 -30.457 -11.005 1.00 0.00 O ATOM 350 CB MET A 91 8.074 -28.004 -12.051 1.00 0.00 C ATOM 351 CG MET A 91 6.898 -27.171 -11.527 1.00 0.00 C ATOM 352 SD MET A 91 5.965 -28.130 -10.306 1.00 0.00 S ATOM 353 CE MET A 91 5.284 -29.370 -11.437 1.00 0.00 C ATOM 0 H MET A 91 9.498 -26.206 -11.176 1.00 0.00 H new ATOM 0 HA MET A 91 8.567 -28.640 -10.052 1.00 0.00 H new ATOM 0 HB2 MET A 91 8.557 -27.485 -12.879 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.711 -28.956 -12.440 1.00 0.00 H new ATOM 0 HG2 MET A 91 7.265 -26.249 -11.076 1.00 0.00 H new ATOM 0 HG3 MET A 91 6.247 -26.884 -12.353 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.345 -29.752 -11.036 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.104 -28.914 -12.411 1.00 0.00 H new ATOM 0 HE3 MET A 91 5.993 -30.191 -11.546 1.00 0.00 H new ATOM 363 N SER A 92 11.085 -28.821 -12.169 1.00 0.00 N ATOM 364 CA SER A 92 12.138 -29.699 -12.656 1.00 0.00 C ATOM 365 C SER A 92 13.018 -30.160 -11.502 1.00 0.00 C ATOM 366 O SER A 92 13.551 -31.267 -11.519 1.00 0.00 O ATOM 367 CB SER A 92 12.990 -28.976 -13.700 1.00 0.00 C ATOM 368 OG SER A 92 13.627 -27.861 -13.094 1.00 0.00 O ATOM 0 H SER A 92 11.155 -27.854 -12.487 1.00 0.00 H new ATOM 0 HA SER A 92 11.674 -30.571 -13.118 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.736 -29.656 -14.112 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.366 -28.646 -14.531 1.00 0.00 H new ATOM 0 HG SER A 92 13.146 -27.614 -12.277 1.00 0.00 H new ATOM 374 N GLU A 93 13.164 -29.301 -10.497 1.00 0.00 N ATOM 375 CA GLU A 93 13.986 -29.637 -9.343 1.00 0.00 C ATOM 376 C GLU A 93 13.401 -30.835 -8.601 1.00 0.00 C ATOM 377 O GLU A 93 14.125 -31.759 -8.218 1.00 0.00 O ATOM 378 CB GLU A 93 14.065 -28.431 -8.397 1.00 0.00 C ATOM 379 CG GLU A 93 14.955 -28.772 -7.198 1.00 0.00 C ATOM 380 CD GLU A 93 15.151 -27.537 -6.324 1.00 0.00 C ATOM 381 OE1 GLU A 93 14.898 -26.446 -6.808 1.00 0.00 O ATOM 382 OE2 GLU A 93 15.542 -27.703 -5.180 1.00 0.00 O ATOM 0 H GLU A 93 12.729 -28.379 -10.459 1.00 0.00 H new ATOM 0 HA GLU A 93 14.987 -29.895 -9.689 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.467 -27.567 -8.926 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.066 -28.159 -8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.501 -29.572 -6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 93 15.921 -29.139 -7.545 1.00 0.00 H new ATOM 389 N GLN A 94 12.085 -30.827 -8.418 1.00 0.00 N ATOM 390 CA GLN A 94 11.425 -31.924 -7.724 1.00 0.00 C ATOM 391 C GLN A 94 11.620 -33.223 -8.493 1.00 0.00 C ATOM 392 O GLN A 94 11.888 -34.270 -7.905 1.00 0.00 O ATOM 393 CB GLN A 94 9.929 -31.624 -7.580 1.00 0.00 C ATOM 394 CG GLN A 94 9.731 -30.481 -6.581 1.00 0.00 C ATOM 395 CD GLN A 94 8.244 -30.196 -6.405 1.00 0.00 C ATOM 396 OE1 GLN A 94 7.442 -31.125 -6.302 1.00 0.00 O ATOM 397 NE2 GLN A 94 7.826 -28.961 -6.362 1.00 0.00 N ATOM 0 H GLN A 94 11.463 -30.084 -8.736 1.00 0.00 H new ATOM 0 HA GLN A 94 11.866 -32.031 -6.733 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.507 -31.353 -8.548 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.400 -32.514 -7.240 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.176 -30.744 -5.621 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.242 -29.585 -6.934 1.00 0.00 H new ATOM 0 HE21 GLN A 94 8.493 -28.194 -6.448 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.833 -28.763 -6.243 1.00 0.00 H new ATOM 406 N GLU A 95 11.494 -33.144 -9.812 1.00 0.00 N ATOM 407 CA GLU A 95 11.675 -34.321 -10.657 1.00 0.00 C ATOM 408 C GLU A 95 13.151 -34.697 -10.747 1.00 0.00 C ATOM 409 O GLU A 95 13.500 -35.872 -10.877 1.00 0.00 O ATOM 410 CB GLU A 95 11.120 -34.059 -12.057 1.00 0.00 C ATOM 411 CG GLU A 95 9.612 -33.813 -11.968 1.00 0.00 C ATOM 412 CD GLU A 95 8.896 -35.090 -11.541 1.00 0.00 C ATOM 413 OE1 GLU A 95 9.491 -36.148 -11.658 1.00 0.00 O ATOM 414 OE2 GLU A 95 7.762 -34.990 -11.101 1.00 0.00 O ATOM 0 H GLU A 95 11.269 -32.287 -10.317 1.00 0.00 H new ATOM 0 HA GLU A 95 11.130 -35.151 -10.207 1.00 0.00 H new ATOM 0 HB2 GLU A 95 11.615 -33.195 -12.501 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.323 -34.911 -12.706 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.407 -33.016 -11.253 1.00 0.00 H new ATOM 0 HG3 GLU A 95 9.233 -33.480 -12.934 1.00 0.00 H new ATOM 421 N ALA A 96 14.013 -33.688 -10.686 1.00 0.00 N ATOM 422 CA ALA A 96 15.453 -33.910 -10.770 1.00 0.00 C ATOM 423 C ALA A 96 15.936 -34.739 -9.590 1.00 0.00 C ATOM 424 O ALA A 96 16.987 -35.376 -9.655 1.00 0.00 O ATOM 425 CB ALA A 96 16.192 -32.573 -10.791 1.00 0.00 C ATOM 0 H ALA A 96 13.741 -32.711 -10.579 1.00 0.00 H new ATOM 0 HA ALA A 96 15.662 -34.452 -11.692 1.00 0.00 H new ATOM 0 HB1 ALA A 96 17.265 -32.752 -10.854 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.870 -31.993 -11.655 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.969 -32.020 -9.879 1.00 0.00 H new ATOM 431 N ARG A 97 15.170 -34.723 -8.508 1.00 0.00 N ATOM 432 CA ARG A 97 15.546 -35.478 -7.320 1.00 0.00 C ATOM 433 C ARG A 97 15.599 -36.968 -7.627 1.00 0.00 C ATOM 434 O ARG A 97 16.335 -37.715 -6.984 1.00 0.00 O ATOM 435 CB ARG A 97 14.520 -35.222 -6.210 1.00 0.00 C ATOM 436 CG ARG A 97 14.649 -33.779 -5.691 1.00 0.00 C ATOM 437 CD ARG A 97 15.725 -33.692 -4.603 1.00 0.00 C ATOM 438 NE ARG A 97 15.262 -34.363 -3.400 1.00 0.00 N ATOM 439 CZ ARG A 97 15.977 -34.333 -2.284 1.00 0.00 C ATOM 440 NH1 ARG A 97 17.112 -33.693 -2.260 1.00 0.00 N ATOM 441 NH2 ARG A 97 15.545 -34.944 -1.217 1.00 0.00 N ATOM 0 H ARG A 97 14.296 -34.203 -8.427 1.00 0.00 H new ATOM 0 HA ARG A 97 16.534 -35.153 -6.995 1.00 0.00 H new ATOM 0 HB2 ARG A 97 13.512 -35.391 -6.590 1.00 0.00 H new ATOM 0 HB3 ARG A 97 14.675 -35.926 -5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.902 -33.112 -6.515 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.692 -33.443 -5.291 1.00 0.00 H new ATOM 0 HD2 ARG A 97 16.649 -34.152 -4.954 1.00 0.00 H new ATOM 0 HD3 ARG A 97 15.951 -32.648 -4.385 1.00 0.00 H new ATOM 0 HE ARG A 97 14.374 -34.864 -3.414 1.00 0.00 H new ATOM 0 HH11 ARG A 97 17.447 -33.218 -3.098 1.00 0.00 H new ATOM 0 HH12 ARG A 97 17.665 -33.668 -1.403 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.657 -35.445 -1.241 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.095 -34.921 -0.358 1.00 0.00 H new ATOM 455 N GLU A 98 14.824 -37.398 -8.617 1.00 0.00 N ATOM 456 CA GLU A 98 14.804 -38.810 -9.003 1.00 0.00 C ATOM 457 C GLU A 98 15.890 -39.108 -10.026 1.00 0.00 C ATOM 458 O GLU A 98 16.211 -40.263 -10.302 1.00 0.00 O ATOM 459 CB GLU A 98 13.435 -39.171 -9.582 1.00 0.00 C ATOM 460 CG GLU A 98 12.381 -39.134 -8.473 1.00 0.00 C ATOM 461 CD GLU A 98 10.996 -39.372 -9.066 1.00 0.00 C ATOM 462 OE1 GLU A 98 10.891 -39.399 -10.282 1.00 0.00 O ATOM 463 OE2 GLU A 98 10.062 -39.523 -8.298 1.00 0.00 O ATOM 0 H GLU A 98 14.206 -36.798 -9.164 1.00 0.00 H new ATOM 0 HA GLU A 98 14.993 -39.412 -8.114 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.168 -38.471 -10.374 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.470 -40.163 -10.031 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.601 -39.895 -7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.408 -38.170 -7.965 1.00 0.00 H new ATOM 470 N VAL A 99 16.452 -38.046 -10.570 1.00 0.00 N ATOM 471 CA VAL A 99 17.520 -38.157 -11.570 1.00 0.00 C ATOM 472 C VAL A 99 18.872 -38.357 -10.892 1.00 0.00 C ATOM 473 O VAL A 99 19.054 -37.988 -9.733 1.00 0.00 O ATOM 474 CB VAL A 99 17.566 -36.917 -12.469 1.00 0.00 C ATOM 475 CG1 VAL A 99 18.582 -37.150 -13.594 1.00 0.00 C ATOM 476 CG2 VAL A 99 16.183 -36.683 -13.078 1.00 0.00 C ATOM 0 H VAL A 99 16.191 -37.087 -10.341 1.00 0.00 H new ATOM 0 HA VAL A 99 17.303 -39.026 -12.191 1.00 0.00 H new ATOM 0 HB VAL A 99 17.859 -36.047 -11.882 1.00 0.00 H new ATOM 0 HG11 VAL A 99 18.620 -36.271 -14.238 1.00 0.00 H new ATOM 0 HG12 VAL A 99 19.568 -37.327 -13.163 1.00 0.00 H new ATOM 0 HG13 VAL A 99 18.282 -38.018 -14.182 1.00 0.00 H new ATOM 0 HG21 VAL A 99 16.212 -35.801 -13.718 1.00 0.00 H new ATOM 0 HG22 VAL A 99 15.894 -37.552 -13.669 1.00 0.00 H new ATOM 0 HG23 VAL A 99 15.456 -36.529 -12.281 1.00 0.00 H new ATOM 603 N GLU A 108 22.244 -27.436 -9.585 1.00 0.00 N ATOM 604 CA GLU A 108 22.682 -26.556 -8.512 1.00 0.00 C ATOM 605 C GLU A 108 23.557 -25.436 -9.057 1.00 0.00 C ATOM 606 O GLU A 108 23.427 -24.289 -8.638 1.00 0.00 O ATOM 607 CB GLU A 108 23.471 -27.355 -7.470 1.00 0.00 C ATOM 608 CG GLU A 108 22.517 -28.250 -6.677 1.00 0.00 C ATOM 609 CD GLU A 108 23.312 -29.214 -5.802 1.00 0.00 C ATOM 610 OE1 GLU A 108 24.510 -29.317 -6.004 1.00 0.00 O ATOM 611 OE2 GLU A 108 22.709 -29.837 -4.943 1.00 0.00 O ATOM 0 HA GLU A 108 21.798 -26.119 -8.047 1.00 0.00 H new ATOM 0 HB2 GLU A 108 24.231 -27.962 -7.962 1.00 0.00 H new ATOM 0 HB3 GLU A 108 23.993 -26.676 -6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 108 21.863 -27.638 -6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 108 21.877 -28.809 -7.360 1.00 0.00 H new ATOM 618 N LEU A 109 24.440 -25.769 -9.993 1.00 0.00 N ATOM 619 CA LEU A 109 25.326 -24.770 -10.584 1.00 0.00 C ATOM 620 C LEU A 109 24.513 -23.718 -11.335 1.00 0.00 C ATOM 621 O LEU A 109 24.789 -22.517 -11.274 1.00 0.00 O ATOM 622 CB LEU A 109 26.298 -25.459 -11.547 1.00 0.00 C ATOM 623 CG LEU A 109 27.274 -26.342 -10.749 1.00 0.00 C ATOM 624 CD1 LEU A 109 28.095 -27.193 -11.723 1.00 0.00 C ATOM 625 CD2 LEU A 109 28.216 -25.475 -9.881 1.00 0.00 C ATOM 0 H LEU A 109 24.562 -26.714 -10.357 1.00 0.00 H new ATOM 0 HA LEU A 109 25.886 -24.276 -9.790 1.00 0.00 H new ATOM 0 HB2 LEU A 109 25.746 -26.066 -12.265 1.00 0.00 H new ATOM 0 HB3 LEU A 109 26.850 -24.713 -12.118 1.00 0.00 H new ATOM 0 HG LEU A 109 26.702 -26.990 -10.085 1.00 0.00 H new ATOM 0 HD11 LEU A 109 28.788 -27.820 -11.163 1.00 0.00 H new ATOM 0 HD12 LEU A 109 27.426 -27.824 -12.308 1.00 0.00 H new ATOM 0 HD13 LEU A 109 28.656 -26.541 -12.392 1.00 0.00 H new ATOM 0 HD21 LEU A 109 28.897 -26.121 -9.326 1.00 0.00 H new ATOM 0 HD22 LEU A 109 28.791 -24.808 -10.523 1.00 0.00 H new ATOM 0 HD23 LEU A 109 27.625 -24.884 -9.181 1.00 0.00 H new ATOM 637 N LEU A 110 23.503 -24.177 -12.044 1.00 0.00 N ATOM 638 CA LEU A 110 22.654 -23.267 -12.794 1.00 0.00 C ATOM 639 C LEU A 110 21.780 -22.449 -11.847 1.00 0.00 C ATOM 640 O LEU A 110 21.503 -21.276 -12.099 1.00 0.00 O ATOM 641 CB LEU A 110 21.779 -24.036 -13.785 1.00 0.00 C ATOM 642 CG LEU A 110 20.913 -23.056 -14.600 1.00 0.00 C ATOM 643 CD1 LEU A 110 21.806 -22.095 -15.411 1.00 0.00 C ATOM 644 CD2 LEU A 110 20.017 -23.855 -15.553 1.00 0.00 C ATOM 0 H LEU A 110 23.249 -25.162 -12.119 1.00 0.00 H new ATOM 0 HA LEU A 110 23.296 -22.587 -13.354 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.406 -24.623 -14.456 1.00 0.00 H new ATOM 0 HB3 LEU A 110 21.140 -24.738 -13.249 1.00 0.00 H new ATOM 0 HG LEU A 110 20.300 -22.467 -13.918 1.00 0.00 H new ATOM 0 HD11 LEU A 110 21.179 -21.409 -15.981 1.00 0.00 H new ATOM 0 HD12 LEU A 110 22.440 -21.526 -14.731 1.00 0.00 H new ATOM 0 HD13 LEU A 110 22.431 -22.669 -16.095 1.00 0.00 H new ATOM 0 HD21 LEU A 110 19.401 -23.169 -16.134 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.638 -24.445 -16.227 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.375 -24.520 -14.976 1.00 0.00 H new ATOM 656 N ARG A 111 21.318 -23.089 -10.778 1.00 0.00 N ATOM 657 CA ARG A 111 20.440 -22.426 -9.823 1.00 0.00 C ATOM 658 C ARG A 111 21.125 -21.215 -9.199 1.00 0.00 C ATOM 659 O ARG A 111 20.515 -20.155 -9.048 1.00 0.00 O ATOM 660 CB ARG A 111 20.054 -23.409 -8.716 1.00 0.00 C ATOM 661 CG ARG A 111 19.046 -22.751 -7.771 1.00 0.00 C ATOM 662 CD ARG A 111 18.588 -23.765 -6.723 1.00 0.00 C ATOM 663 NE ARG A 111 19.705 -24.149 -5.869 1.00 0.00 N ATOM 664 CZ ARG A 111 19.593 -25.142 -4.992 1.00 0.00 C ATOM 665 NH1 ARG A 111 18.468 -25.795 -4.888 1.00 0.00 N ATOM 666 NH2 ARG A 111 20.607 -25.466 -4.238 1.00 0.00 N ATOM 0 H ARG A 111 21.536 -24.060 -10.553 1.00 0.00 H new ATOM 0 HA ARG A 111 19.550 -22.088 -10.354 1.00 0.00 H new ATOM 0 HB2 ARG A 111 19.624 -24.311 -9.151 1.00 0.00 H new ATOM 0 HB3 ARG A 111 20.941 -23.714 -8.162 1.00 0.00 H new ATOM 0 HG2 ARG A 111 19.499 -21.888 -7.283 1.00 0.00 H new ATOM 0 HG3 ARG A 111 18.189 -22.384 -8.336 1.00 0.00 H new ATOM 0 HD2 ARG A 111 17.789 -23.337 -6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 111 18.178 -24.647 -7.215 1.00 0.00 H new ATOM 0 HE ARG A 111 20.589 -23.646 -5.946 1.00 0.00 H new ATOM 0 HH11 ARG A 111 17.676 -25.543 -5.479 1.00 0.00 H new ATOM 0 HH12 ARG A 111 18.381 -26.557 -4.216 1.00 0.00 H new ATOM 0 HH21 ARG A 111 21.487 -24.957 -4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 111 20.520 -26.228 -3.566 1.00 0.00 H new ATOM 680 N LYS A 112 22.393 -21.369 -8.849 1.00 0.00 N ATOM 681 CA LYS A 112 23.139 -20.267 -8.259 1.00 0.00 C ATOM 682 C LYS A 112 23.404 -19.178 -9.293 1.00 0.00 C ATOM 683 O LYS A 112 23.450 -17.997 -8.958 1.00 0.00 O ATOM 684 CB LYS A 112 24.461 -20.777 -7.685 1.00 0.00 C ATOM 685 CG LYS A 112 25.253 -21.505 -8.774 1.00 0.00 C ATOM 686 CD LYS A 112 26.680 -21.782 -8.310 1.00 0.00 C ATOM 687 CE LYS A 112 26.674 -22.835 -7.202 1.00 0.00 C ATOM 688 NZ LYS A 112 28.071 -23.249 -6.915 1.00 0.00 N ATOM 0 H LYS A 112 22.922 -22.234 -8.961 1.00 0.00 H new ATOM 0 HA LYS A 112 22.541 -19.839 -7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 112 25.044 -19.943 -7.294 1.00 0.00 H new ATOM 0 HB3 LYS A 112 24.270 -21.451 -6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 112 24.758 -22.443 -9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 112 25.271 -20.902 -9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 112 27.283 -22.128 -9.149 1.00 0.00 H new ATOM 0 HD3 LYS A 112 27.138 -20.862 -7.946 1.00 0.00 H new ATOM 0 HE2 LYS A 112 26.210 -22.431 -6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 112 26.082 -23.698 -7.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 28.066 -24.069 -6.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 28.546 -23.506 -7.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 28.581 -22.462 -6.465 1.00 0.00 H new ATOM 702 N ALA A 113 23.587 -19.584 -10.547 1.00 0.00 N ATOM 703 CA ALA A 113 23.858 -18.623 -11.605 1.00 0.00 C ATOM 704 C ALA A 113 22.700 -17.641 -11.746 1.00 0.00 C ATOM 705 O ALA A 113 22.906 -16.436 -11.912 1.00 0.00 O ATOM 706 CB ALA A 113 24.071 -19.367 -12.926 1.00 0.00 C ATOM 0 H ALA A 113 23.553 -20.558 -10.850 1.00 0.00 H new ATOM 0 HA ALA A 113 24.758 -18.062 -11.351 1.00 0.00 H new ATOM 0 HB1 ALA A 113 24.274 -18.648 -13.720 1.00 0.00 H new ATOM 0 HB2 ALA A 113 24.917 -20.048 -12.828 1.00 0.00 H new ATOM 0 HB3 ALA A 113 23.174 -19.935 -13.172 1.00 0.00 H new ATOM 712 N ILE A 114 21.483 -18.159 -11.667 1.00 0.00 N ATOM 713 CA ILE A 114 20.297 -17.317 -11.782 1.00 0.00 C ATOM 714 C ILE A 114 20.157 -16.430 -10.555 1.00 0.00 C ATOM 715 O ILE A 114 19.810 -15.255 -10.663 1.00 0.00 O ATOM 716 CB ILE A 114 19.046 -18.185 -11.943 1.00 0.00 C ATOM 717 CG1 ILE A 114 19.180 -19.056 -13.203 1.00 0.00 C ATOM 718 CG2 ILE A 114 17.806 -17.294 -12.068 1.00 0.00 C ATOM 719 CD1 ILE A 114 19.395 -18.196 -14.465 1.00 0.00 C ATOM 0 H ILE A 114 21.289 -19.150 -11.525 1.00 0.00 H new ATOM 0 HA ILE A 114 20.406 -16.684 -12.663 1.00 0.00 H new ATOM 0 HB ILE A 114 18.942 -18.825 -11.067 1.00 0.00 H new ATOM 0 HG12 ILE A 114 20.017 -19.744 -13.084 1.00 0.00 H new ATOM 0 HG13 ILE A 114 18.283 -19.663 -13.324 1.00 0.00 H new ATOM 0 HG21 ILE A 114 16.920 -17.918 -12.182 1.00 0.00 H new ATOM 0 HG22 ILE A 114 17.706 -16.682 -11.172 1.00 0.00 H new ATOM 0 HG23 ILE A 114 17.909 -16.647 -12.939 1.00 0.00 H new ATOM 0 HD11 ILE A 114 19.486 -18.845 -15.336 1.00 0.00 H new ATOM 0 HD12 ILE A 114 18.545 -17.526 -14.598 1.00 0.00 H new ATOM 0 HD13 ILE A 114 20.306 -17.608 -14.354 1.00 0.00 H new ATOM 731 N ALA A 115 20.427 -16.997 -9.389 1.00 0.00 N ATOM 732 CA ALA A 115 20.323 -16.242 -8.149 1.00 0.00 C ATOM 733 C ALA A 115 21.292 -15.066 -8.155 1.00 0.00 C ATOM 734 O ALA A 115 20.950 -13.965 -7.724 1.00 0.00 O ATOM 735 CB ALA A 115 20.632 -17.154 -6.962 1.00 0.00 C ATOM 0 H ALA A 115 20.717 -17.968 -9.275 1.00 0.00 H new ATOM 0 HA ALA A 115 19.307 -15.858 -8.060 1.00 0.00 H new ATOM 0 HB1 ALA A 115 20.553 -16.585 -6.036 1.00 0.00 H new ATOM 0 HB2 ALA A 115 19.920 -17.979 -6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 115 21.643 -17.549 -7.060 1.00 0.00 H new ATOM 741 N GLU A 116 22.502 -15.299 -8.654 1.00 0.00 N ATOM 742 CA GLU A 116 23.505 -14.242 -8.714 1.00 0.00 C ATOM 743 C GLU A 116 23.042 -13.116 -9.634 1.00 0.00 C ATOM 744 O GLU A 116 23.226 -11.938 -9.331 1.00 0.00 O ATOM 745 CB GLU A 116 24.832 -14.809 -9.220 1.00 0.00 C ATOM 746 CG GLU A 116 25.461 -15.689 -8.138 1.00 0.00 C ATOM 747 CD GLU A 116 26.668 -16.428 -8.705 1.00 0.00 C ATOM 748 OE1 GLU A 116 26.768 -16.517 -9.916 1.00 0.00 O ATOM 749 OE2 GLU A 116 27.478 -16.889 -7.916 1.00 0.00 O ATOM 0 H GLU A 116 22.809 -16.200 -9.019 1.00 0.00 H new ATOM 0 HA GLU A 116 23.644 -13.840 -7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 116 24.668 -15.392 -10.127 1.00 0.00 H new ATOM 0 HB3 GLU A 116 25.510 -13.997 -9.482 1.00 0.00 H new ATOM 0 HG2 GLU A 116 25.765 -15.076 -7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 116 24.727 -16.405 -7.767 1.00 0.00 H new ATOM 756 N SER A 117 22.435 -13.484 -10.753 1.00 0.00 N ATOM 757 CA SER A 117 21.947 -12.492 -11.703 1.00 0.00 C ATOM 758 C SER A 117 20.865 -11.628 -11.060 1.00 0.00 C ATOM 759 O SER A 117 20.811 -10.414 -11.265 1.00 0.00 O ATOM 760 CB SER A 117 21.384 -13.192 -12.942 1.00 0.00 C ATOM 761 OG SER A 117 20.911 -12.215 -13.859 1.00 0.00 O ATOM 0 H SER A 117 22.269 -14.453 -11.025 1.00 0.00 H new ATOM 0 HA SER A 117 22.778 -11.851 -11.998 1.00 0.00 H new ATOM 0 HB2 SER A 117 22.155 -13.804 -13.410 1.00 0.00 H new ATOM 0 HB3 SER A 117 20.574 -13.863 -12.658 1.00 0.00 H new ATOM 0 HG SER A 117 20.551 -12.660 -14.654 1.00 0.00 H new ATOM 767 N LEU A 118 20.001 -12.262 -10.278 1.00 0.00 N ATOM 768 CA LEU A 118 18.920 -11.543 -9.617 1.00 0.00 C ATOM 769 C LEU A 118 19.478 -10.590 -8.569 1.00 0.00 C ATOM 770 O LEU A 118 18.948 -9.497 -8.365 1.00 0.00 O ATOM 771 CB LEU A 118 17.969 -12.537 -8.948 1.00 0.00 C ATOM 772 CG LEU A 118 17.233 -13.353 -10.024 1.00 0.00 C ATOM 773 CD1 LEU A 118 16.448 -14.486 -9.351 1.00 0.00 C ATOM 774 CD2 LEU A 118 16.270 -12.452 -10.833 1.00 0.00 C ATOM 0 H LEU A 118 20.027 -13.264 -10.087 1.00 0.00 H new ATOM 0 HA LEU A 118 18.377 -10.966 -10.366 1.00 0.00 H new ATOM 0 HB2 LEU A 118 18.527 -13.204 -8.291 1.00 0.00 H new ATOM 0 HB3 LEU A 118 17.250 -12.005 -8.326 1.00 0.00 H new ATOM 0 HG LEU A 118 17.967 -13.772 -10.713 1.00 0.00 H new ATOM 0 HD11 LEU A 118 15.925 -15.067 -10.110 1.00 0.00 H new ATOM 0 HD12 LEU A 118 17.137 -15.134 -8.809 1.00 0.00 H new ATOM 0 HD13 LEU A 118 15.724 -14.063 -8.655 1.00 0.00 H new ATOM 0 HD21 LEU A 118 15.760 -13.050 -11.588 1.00 0.00 H new ATOM 0 HD22 LEU A 118 15.533 -12.011 -10.161 1.00 0.00 H new ATOM 0 HD23 LEU A 118 16.837 -11.659 -11.320 1.00 0.00 H new