USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 144 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 16 ASN : amide:sc= -1.26 K(o=-1.3,f=-7.7!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 148:sc= -0.567 (180deg=-2.73!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0.462 X(o=0.46,f=0) USER MOD ----------------------------------------------------------------- ATOM 224 N LEU A 15 1.821 -0.005 6.529 1.00 0.00 N ATOM 225 CA LEU A 15 1.920 0.803 5.271 1.00 0.00 C ATOM 226 C LEU A 15 3.200 1.650 5.308 1.00 0.00 C ATOM 227 O LEU A 15 3.495 2.298 6.303 1.00 0.00 O ATOM 228 CB LEU A 15 0.691 1.724 5.139 1.00 0.00 C ATOM 229 CG LEU A 15 -0.267 1.154 4.086 1.00 0.00 C ATOM 230 CD1 LEU A 15 -1.684 1.681 4.328 1.00 0.00 C ATOM 231 CD2 LEU A 15 0.192 1.563 2.691 1.00 0.00 C ATOM 0 HA LEU A 15 1.953 0.131 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.183 1.809 6.100 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.005 2.728 4.854 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.267 0.067 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.358 1.271 3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.020 1.379 5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.684 2.769 4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.493 1.155 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.203 2.650 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.195 1.177 2.510 1.00 0.00 H new ATOM 243 N ASN A 16 3.954 1.640 4.231 1.00 0.00 N ATOM 244 CA ASN A 16 5.234 2.434 4.173 1.00 0.00 C ATOM 245 C ASN A 16 5.017 3.740 3.346 1.00 0.00 C ATOM 246 O ASN A 16 4.014 4.405 3.534 1.00 0.00 O ATOM 247 CB ASN A 16 6.389 1.537 3.632 1.00 0.00 C ATOM 248 CG ASN A 16 6.055 0.918 2.260 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.997 1.607 1.261 1.00 0.00 O ATOM 250 ND2 ASN A 16 5.852 -0.367 2.168 1.00 0.00 N ATOM 0 H ASN A 16 3.739 1.114 3.384 1.00 0.00 H new ATOM 0 HA ASN A 16 5.529 2.751 5.173 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.299 2.131 3.548 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.593 0.741 4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.646 -0.787 1.262 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.899 -0.952 3.002 1.00 0.00 H new ATOM 257 N SER A 17 5.936 4.128 2.464 1.00 0.00 N ATOM 258 CA SER A 17 5.762 5.397 1.669 1.00 0.00 C ATOM 259 C SER A 17 5.031 5.108 0.345 1.00 0.00 C ATOM 260 O SER A 17 3.920 5.579 0.147 1.00 0.00 O ATOM 261 CB SER A 17 7.136 6.023 1.381 1.00 0.00 C ATOM 262 OG SER A 17 7.656 6.591 2.579 1.00 0.00 O ATOM 0 H SER A 17 6.795 3.615 2.267 1.00 0.00 H new ATOM 0 HA SER A 17 5.162 6.095 2.253 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.820 5.266 0.997 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.045 6.790 0.611 1.00 0.00 H new ATOM 0 HG SER A 17 8.533 6.989 2.398 1.00 0.00 H new ATOM 268 N MET A 18 5.635 4.340 -0.560 1.00 0.00 N ATOM 269 CA MET A 18 4.962 4.024 -1.875 1.00 0.00 C ATOM 270 C MET A 18 3.743 3.119 -1.647 1.00 0.00 C ATOM 271 O MET A 18 2.733 3.286 -2.300 1.00 0.00 O ATOM 272 CB MET A 18 5.935 3.344 -2.839 1.00 0.00 C ATOM 273 CG MET A 18 5.473 3.626 -4.271 1.00 0.00 C ATOM 274 SD MET A 18 6.487 2.683 -5.437 1.00 0.00 S ATOM 275 CE MET A 18 5.155 1.676 -6.138 1.00 0.00 C ATOM 0 H MET A 18 6.559 3.924 -0.440 1.00 0.00 H new ATOM 0 HA MET A 18 4.634 4.964 -2.318 1.00 0.00 H new ATOM 0 HB2 MET A 18 6.946 3.721 -2.686 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.964 2.270 -2.654 1.00 0.00 H new ATOM 0 HG2 MET A 18 4.424 3.354 -4.385 1.00 0.00 H new ATOM 0 HG3 MET A 18 5.552 4.692 -4.485 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.564 1.007 -6.895 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.689 1.087 -5.348 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.409 2.326 -6.594 1.00 0.00 H new ATOM 285 N GLU A 19 3.815 2.194 -0.701 1.00 0.00 N ATOM 286 CA GLU A 19 2.629 1.318 -0.389 1.00 0.00 C ATOM 287 C GLU A 19 1.432 2.217 -0.009 1.00 0.00 C ATOM 288 O GLU A 19 0.291 1.902 -0.311 1.00 0.00 O ATOM 289 CB GLU A 19 2.975 0.414 0.796 1.00 0.00 C ATOM 290 CG GLU A 19 2.100 -0.839 0.786 1.00 0.00 C ATOM 291 CD GLU A 19 2.405 -1.683 2.030 1.00 0.00 C ATOM 292 OE1 GLU A 19 3.411 -2.375 2.025 1.00 0.00 O ATOM 293 OE2 GLU A 19 1.630 -1.622 2.967 1.00 0.00 O ATOM 0 H GLU A 19 4.644 2.011 -0.135 1.00 0.00 H new ATOM 0 HA GLU A 19 2.375 0.708 -1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.027 0.131 0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.832 0.958 1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.046 -0.560 0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.288 -1.420 -0.117 1.00 0.00 H new ATOM 300 N ARG A 20 1.708 3.356 0.625 1.00 0.00 N ATOM 301 CA ARG A 20 0.635 4.325 1.026 1.00 0.00 C ATOM 302 C ARG A 20 0.379 5.374 -0.104 1.00 0.00 C ATOM 303 O ARG A 20 -0.007 6.508 0.151 1.00 0.00 O ATOM 304 CB ARG A 20 1.088 5.034 2.290 1.00 0.00 C ATOM 305 CG ARG A 20 -0.028 5.014 3.339 1.00 0.00 C ATOM 306 CD ARG A 20 0.310 5.983 4.478 1.00 0.00 C ATOM 307 NE ARG A 20 0.256 7.398 3.985 1.00 0.00 N ATOM 308 CZ ARG A 20 -0.889 7.944 3.646 1.00 0.00 C ATOM 309 NH1 ARG A 20 -1.730 8.330 4.574 1.00 0.00 N ATOM 310 NH2 ARG A 20 -1.184 8.101 2.380 1.00 0.00 N ATOM 0 H ARG A 20 2.652 3.648 0.880 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.296 3.786 1.199 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.979 4.549 2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.362 6.064 2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.976 5.295 2.880 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.151 4.005 3.733 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.393 5.849 5.300 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.303 5.764 4.869 1.00 0.00 H new ATOM 0 HE ARG A 20 1.116 7.941 3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.495 8.206 5.559 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.620 8.754 4.311 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.525 7.800 1.662 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.072 8.525 2.112 1.00 0.00 H new ATOM 324 N VAL A 21 0.522 4.958 -1.338 1.00 0.00 N ATOM 325 CA VAL A 21 0.225 5.830 -2.531 1.00 0.00 C ATOM 326 C VAL A 21 -0.759 5.079 -3.480 1.00 0.00 C ATOM 327 O VAL A 21 -1.652 5.680 -4.049 1.00 0.00 O ATOM 328 CB VAL A 21 1.550 6.232 -3.253 1.00 0.00 C ATOM 329 CG1 VAL A 21 1.959 5.223 -4.339 1.00 0.00 C ATOM 330 CG2 VAL A 21 1.360 7.605 -3.903 1.00 0.00 C ATOM 0 H VAL A 21 0.842 4.021 -1.581 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.253 6.755 -2.209 1.00 0.00 H new ATOM 0 HB VAL A 21 2.342 6.251 -2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.886 5.550 -4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.108 4.242 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.173 5.160 -5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.279 7.897 -4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.546 7.556 -4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.120 8.341 -3.136 1.00 0.00 H new ATOM 340 N GLU A 22 -0.602 3.769 -3.626 1.00 0.00 N ATOM 341 CA GLU A 22 -1.508 2.937 -4.490 1.00 0.00 C ATOM 342 C GLU A 22 -2.767 2.552 -3.686 1.00 0.00 C ATOM 343 O GLU A 22 -3.868 2.553 -4.210 1.00 0.00 O ATOM 344 CB GLU A 22 -0.759 1.661 -4.869 1.00 0.00 C ATOM 345 CG GLU A 22 -0.604 1.568 -6.395 1.00 0.00 C ATOM 346 CD GLU A 22 -1.921 1.113 -7.037 1.00 0.00 C ATOM 347 OE1 GLU A 22 -2.819 1.930 -7.152 1.00 0.00 O ATOM 348 OE2 GLU A 22 -2.011 -0.047 -7.400 1.00 0.00 O ATOM 0 H GLU A 22 0.137 3.236 -3.167 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.799 3.495 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.223 1.653 -4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.299 0.790 -4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.311 2.538 -6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.192 0.866 -6.644 1.00 0.00 H new ATOM 355 N TRP A 23 -2.583 2.241 -2.407 1.00 0.00 N ATOM 356 CA TRP A 23 -3.713 1.873 -1.470 1.00 0.00 C ATOM 357 C TRP A 23 -4.849 2.910 -1.554 1.00 0.00 C ATOM 358 O TRP A 23 -6.002 2.576 -1.463 1.00 0.00 O ATOM 359 CB TRP A 23 -3.115 1.857 -0.026 1.00 0.00 C ATOM 360 CG TRP A 23 -3.064 3.245 0.564 1.00 0.00 C ATOM 361 CD1 TRP A 23 -2.211 4.182 0.212 1.00 0.00 C ATOM 362 CD2 TRP A 23 -3.941 3.860 1.527 1.00 0.00 C ATOM 363 NE1 TRP A 23 -2.457 5.326 0.963 1.00 0.00 N ATOM 364 CE2 TRP A 23 -3.513 5.159 1.800 1.00 0.00 C ATOM 365 CE3 TRP A 23 -5.022 3.383 2.187 1.00 0.00 C ATOM 366 CZ2 TRP A 23 -4.160 5.968 2.733 1.00 0.00 C ATOM 367 CZ3 TRP A 23 -5.709 4.162 3.129 1.00 0.00 C ATOM 368 CH2 TRP A 23 -5.265 5.460 3.414 1.00 0.00 C ATOM 0 H TRP A 23 -1.664 2.228 -1.964 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.132 0.903 -1.738 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.718 1.211 0.612 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.111 1.433 -0.051 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -1.443 4.079 -0.540 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -1.911 6.185 0.894 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -5.363 2.379 1.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -3.811 6.972 2.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -6.577 3.763 3.633 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -5.774 6.061 4.154 1.00 0.00 H new ATOM 379 N LEU A 24 -4.475 4.165 -1.685 1.00 0.00 N ATOM 380 CA LEU A 24 -5.423 5.291 -1.739 1.00 0.00 C ATOM 381 C LEU A 24 -5.992 5.442 -3.149 1.00 0.00 C ATOM 382 O LEU A 24 -7.138 5.831 -3.298 1.00 0.00 O ATOM 383 CB LEU A 24 -4.687 6.545 -1.238 1.00 0.00 C ATOM 384 CG LEU A 24 -3.823 7.187 -2.342 1.00 0.00 C ATOM 385 CD1 LEU A 24 -4.656 8.176 -3.173 1.00 0.00 C ATOM 386 CD2 LEU A 24 -2.650 7.926 -1.701 1.00 0.00 C ATOM 0 H LEU A 24 -3.498 4.450 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.285 5.119 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.414 7.273 -0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.055 6.280 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.453 6.401 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.029 8.619 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.489 7.649 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.041 8.962 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.037 8.381 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.029 8.703 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.046 7.222 -1.129 1.00 0.00 H new ATOM 398 N ARG A 25 -5.231 5.063 -4.178 1.00 0.00 N ATOM 399 CA ARG A 25 -5.770 5.092 -5.574 1.00 0.00 C ATOM 400 C ARG A 25 -7.039 4.186 -5.589 1.00 0.00 C ATOM 401 O ARG A 25 -8.011 4.474 -6.262 1.00 0.00 O ATOM 402 CB ARG A 25 -4.708 4.546 -6.546 1.00 0.00 C ATOM 403 CG ARG A 25 -4.939 5.116 -7.948 1.00 0.00 C ATOM 404 CD ARG A 25 -3.654 5.006 -8.779 1.00 0.00 C ATOM 405 NE ARG A 25 -3.565 3.648 -9.405 1.00 0.00 N ATOM 406 CZ ARG A 25 -2.577 3.356 -10.211 1.00 0.00 C ATOM 407 NH1 ARG A 25 -1.382 3.129 -9.725 1.00 0.00 N ATOM 408 NH2 ARG A 25 -2.790 3.289 -11.503 1.00 0.00 N ATOM 0 H ARG A 25 -4.267 4.739 -4.096 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.021 6.106 -5.884 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.711 4.813 -6.196 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.755 3.457 -6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.747 4.575 -8.440 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.249 6.159 -7.879 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.644 5.774 -9.553 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.785 5.181 -8.145 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.278 2.948 -9.202 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.223 3.180 -8.719 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.611 2.901 -10.353 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.723 3.464 -11.876 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.023 3.062 -12.135 1.00 0.00 H new ATOM 422 N LYS A 26 -7.022 3.123 -4.775 1.00 0.00 N ATOM 423 CA LYS A 26 -8.190 2.198 -4.620 1.00 0.00 C ATOM 424 C LYS A 26 -8.603 2.168 -3.116 1.00 0.00 C ATOM 425 O LYS A 26 -9.024 1.144 -2.618 1.00 0.00 O ATOM 426 CB LYS A 26 -7.758 0.789 -5.050 1.00 0.00 C ATOM 427 CG LYS A 26 -7.611 0.718 -6.575 1.00 0.00 C ATOM 428 CD LYS A 26 -6.790 -0.525 -6.957 1.00 0.00 C ATOM 429 CE LYS A 26 -5.299 -0.165 -7.055 1.00 0.00 C ATOM 430 NZ LYS A 26 -4.702 -0.022 -5.688 1.00 0.00 N ATOM 0 H LYS A 26 -6.216 2.868 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.028 2.534 -5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.812 0.531 -4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.493 0.058 -4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.594 0.675 -7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.121 1.618 -6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.935 -1.308 -6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.139 -0.922 -7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.768 -0.938 -7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.179 0.766 -7.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.705 -0.316 -5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.763 0.971 -5.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.223 -0.622 -5.017 1.00 0.00 H new ATOM 444 N LYS A 27 -8.447 3.281 -2.383 1.00 0.00 N ATOM 445 CA LYS A 27 -8.781 3.326 -0.899 1.00 0.00 C ATOM 446 C LYS A 27 -10.166 2.722 -0.631 1.00 0.00 C ATOM 447 O LYS A 27 -11.110 2.984 -1.358 1.00 0.00 O ATOM 448 CB LYS A 27 -8.717 4.773 -0.366 1.00 0.00 C ATOM 449 CG LYS A 27 -7.636 4.873 0.731 1.00 0.00 C ATOM 450 CD LYS A 27 -7.013 6.276 0.744 1.00 0.00 C ATOM 451 CE LYS A 27 -7.583 7.117 1.890 1.00 0.00 C ATOM 452 NZ LYS A 27 -8.937 7.640 1.526 1.00 0.00 N ATOM 0 H LYS A 27 -8.099 4.163 -2.760 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.037 2.729 -0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.489 5.461 -1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.686 5.066 0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.076 4.655 1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.862 4.126 0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.931 6.197 0.849 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.205 6.772 -0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.650 6.513 2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.912 7.947 2.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.312 8.209 2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.863 8.232 0.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.578 6.843 1.338 1.00 0.00 H new ATOM 466 N LEU A 28 -10.248 1.863 0.384 1.00 0.00 N ATOM 467 CA LEU A 28 -11.518 1.122 0.753 1.00 0.00 C ATOM 468 C LEU A 28 -11.605 -0.161 -0.107 1.00 0.00 C ATOM 469 O LEU A 28 -11.792 -1.245 0.421 1.00 0.00 O ATOM 470 CB LEU A 28 -12.783 1.991 0.560 1.00 0.00 C ATOM 471 CG LEU A 28 -13.897 1.517 1.507 1.00 0.00 C ATOM 472 CD1 LEU A 28 -14.669 2.728 2.043 1.00 0.00 C ATOM 473 CD2 LEU A 28 -14.861 0.597 0.749 1.00 0.00 C ATOM 0 H LEU A 28 -9.457 1.641 0.989 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.476 0.868 1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.549 3.037 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.123 1.929 -0.474 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.451 0.972 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.458 2.389 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.987 3.383 2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -15.111 3.275 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.650 0.262 1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.303 1.141 -0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.316 -0.268 0.370 1.00 0.00 H new ATOM 485 N GLN A 29 -11.434 -0.043 -1.418 1.00 0.00 N ATOM 486 CA GLN A 29 -11.462 -1.241 -2.335 1.00 0.00 C ATOM 487 C GLN A 29 -10.176 -2.081 -2.141 1.00 0.00 C ATOM 488 O GLN A 29 -10.200 -3.288 -2.309 1.00 0.00 O ATOM 489 CB GLN A 29 -11.524 -0.790 -3.809 1.00 0.00 C ATOM 490 CG GLN A 29 -12.659 0.226 -4.036 1.00 0.00 C ATOM 491 CD GLN A 29 -12.127 1.414 -4.850 1.00 0.00 C ATOM 492 OE1 GLN A 29 -12.066 1.354 -6.062 1.00 0.00 O ATOM 493 NE2 GLN A 29 -11.732 2.497 -4.237 1.00 0.00 N ATOM 0 H GLN A 29 -11.275 0.846 -1.893 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.344 -1.834 -2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.571 -0.344 -4.096 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.676 -1.658 -4.451 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.486 -0.249 -4.564 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.048 0.573 -3.079 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.781 2.554 -3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.375 3.286 -4.775 1.00 0.00 H new