USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=1 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= 0.675 K(o=0.67,f=-6.3!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 224 N LEU A 15 5.812 1.024 2.301 1.00 0.00 N ATOM 225 CA LEU A 15 4.950 2.231 2.271 1.00 0.00 C ATOM 226 C LEU A 15 5.729 3.436 2.806 1.00 0.00 C ATOM 227 O LEU A 15 6.384 3.376 3.836 1.00 0.00 O ATOM 228 CB LEU A 15 3.694 1.991 3.130 1.00 0.00 C ATOM 229 CG LEU A 15 2.437 2.364 2.336 1.00 0.00 C ATOM 230 CD1 LEU A 15 2.223 1.370 1.191 1.00 0.00 C ATOM 231 CD2 LEU A 15 1.222 2.329 3.262 1.00 0.00 C ATOM 0 HA LEU A 15 4.646 2.433 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.645 0.945 3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.748 2.586 4.042 1.00 0.00 H new ATOM 0 HG LEU A 15 2.563 3.365 1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.327 1.644 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.086 1.391 0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.103 0.366 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.327 2.594 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.107 1.326 3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.363 3.041 4.075 1.00 0.00 H new ATOM 243 N ASN A 16 5.647 4.516 2.087 1.00 0.00 N ATOM 244 CA ASN A 16 6.356 5.788 2.467 1.00 0.00 C ATOM 245 C ASN A 16 5.418 6.996 2.178 1.00 0.00 C ATOM 246 O ASN A 16 4.506 7.240 2.946 1.00 0.00 O ATOM 247 CB ASN A 16 7.719 5.888 1.713 1.00 0.00 C ATOM 248 CG ASN A 16 7.602 5.407 0.247 1.00 0.00 C ATOM 249 OD1 ASN A 16 7.112 6.123 -0.605 1.00 0.00 O ATOM 250 ND2 ASN A 16 8.036 4.227 -0.088 1.00 0.00 N ATOM 0 H ASN A 16 5.105 4.582 1.225 1.00 0.00 H new ATOM 0 HA ASN A 16 6.588 5.794 3.532 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.069 6.920 1.730 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.467 5.289 2.233 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.963 3.913 -1.056 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.449 3.616 0.617 1.00 0.00 H new ATOM 257 N SER A 17 5.607 7.727 1.083 1.00 0.00 N ATOM 258 CA SER A 17 4.711 8.877 0.738 1.00 0.00 C ATOM 259 C SER A 17 3.972 8.520 -0.561 1.00 0.00 C ATOM 260 O SER A 17 2.754 8.452 -0.574 1.00 0.00 O ATOM 261 CB SER A 17 5.542 10.152 0.552 1.00 0.00 C ATOM 262 OG SER A 17 5.821 10.716 1.827 1.00 0.00 O ATOM 0 H SER A 17 6.358 7.563 0.413 1.00 0.00 H new ATOM 0 HA SER A 17 3.994 9.060 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.471 9.922 0.031 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.999 10.868 -0.065 1.00 0.00 H new ATOM 0 HG SER A 17 6.354 11.531 1.715 1.00 0.00 H new ATOM 268 N MET A 18 4.705 8.239 -1.641 1.00 0.00 N ATOM 269 CA MET A 18 4.044 7.829 -2.927 1.00 0.00 C ATOM 270 C MET A 18 3.589 6.368 -2.804 1.00 0.00 C ATOM 271 O MET A 18 2.488 6.040 -3.198 1.00 0.00 O ATOM 272 CB MET A 18 4.990 7.987 -4.118 1.00 0.00 C ATOM 273 CG MET A 18 4.160 8.419 -5.330 1.00 0.00 C ATOM 274 SD MET A 18 5.207 8.454 -6.807 1.00 0.00 S ATOM 275 CE MET A 18 4.679 6.867 -7.501 1.00 0.00 C ATOM 0 H MET A 18 5.724 8.279 -1.675 1.00 0.00 H new ATOM 0 HA MET A 18 3.186 8.477 -3.104 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.758 8.729 -3.898 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.504 7.048 -4.323 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.329 7.729 -5.478 1.00 0.00 H new ATOM 0 HG3 MET A 18 3.729 9.405 -5.155 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.210 6.684 -8.435 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.902 6.068 -6.794 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.606 6.893 -7.693 1.00 0.00 H new ATOM 285 N GLU A 19 4.395 5.498 -2.195 1.00 0.00 N ATOM 286 CA GLU A 19 3.939 4.080 -1.976 1.00 0.00 C ATOM 287 C GLU A 19 2.689 4.125 -1.053 1.00 0.00 C ATOM 288 O GLU A 19 1.803 3.298 -1.164 1.00 0.00 O ATOM 289 CB GLU A 19 5.055 3.248 -1.330 1.00 0.00 C ATOM 290 CG GLU A 19 4.735 1.750 -1.473 1.00 0.00 C ATOM 291 CD GLU A 19 5.684 1.100 -2.486 1.00 0.00 C ATOM 292 OE1 GLU A 19 5.508 1.332 -3.671 1.00 0.00 O ATOM 293 OE2 GLU A 19 6.565 0.374 -2.057 1.00 0.00 O ATOM 0 H GLU A 19 5.330 5.713 -1.849 1.00 0.00 H new ATOM 0 HA GLU A 19 3.691 3.611 -2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.010 3.472 -1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.153 3.510 -0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.830 1.256 -0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.702 1.621 -1.796 1.00 0.00 H new ATOM 300 N ARG A 20 2.588 5.155 -0.200 1.00 0.00 N ATOM 301 CA ARG A 20 1.388 5.350 0.682 1.00 0.00 C ATOM 302 C ARG A 20 0.366 6.307 -0.021 1.00 0.00 C ATOM 303 O ARG A 20 -0.402 7.011 0.618 1.00 0.00 O ATOM 304 CB ARG A 20 1.864 5.968 1.985 1.00 0.00 C ATOM 305 CG ARG A 20 0.852 5.712 3.109 1.00 0.00 C ATOM 306 CD ARG A 20 1.429 6.205 4.441 1.00 0.00 C ATOM 307 NE ARG A 20 1.184 7.677 4.577 1.00 0.00 N ATOM 308 CZ ARG A 20 2.158 8.531 4.395 1.00 0.00 C ATOM 309 NH1 ARG A 20 3.072 8.691 5.323 1.00 0.00 N ATOM 310 NH2 ARG A 20 2.216 9.228 3.287 1.00 0.00 N ATOM 0 H ARG A 20 3.307 5.870 -0.090 1.00 0.00 H new ATOM 0 HA ARG A 20 0.894 4.397 0.873 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.833 5.550 2.259 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.006 7.041 1.854 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.084 6.227 2.894 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.624 4.648 3.171 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.966 5.670 5.270 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.498 5.998 4.485 1.00 0.00 H new ATOM 0 HE ARG A 20 0.251 8.015 4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.023 8.149 6.186 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.832 9.357 5.181 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.503 9.104 2.569 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.975 9.895 3.143 1.00 0.00 H new ATOM 324 N VAL A 21 0.326 6.251 -1.332 1.00 0.00 N ATOM 325 CA VAL A 21 -0.661 7.033 -2.163 1.00 0.00 C ATOM 326 C VAL A 21 -1.341 6.047 -3.158 1.00 0.00 C ATOM 327 O VAL A 21 -2.536 6.104 -3.363 1.00 0.00 O ATOM 328 CB VAL A 21 0.030 8.233 -2.890 1.00 0.00 C ATOM 329 CG1 VAL A 21 0.488 7.894 -4.318 1.00 0.00 C ATOM 330 CG2 VAL A 21 -0.971 9.384 -2.972 1.00 0.00 C ATOM 0 H VAL A 21 0.960 5.674 -1.885 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.424 7.477 -1.523 1.00 0.00 H new ATOM 0 HB VAL A 21 0.918 8.493 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.959 8.769 -4.766 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.204 7.073 -4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.374 7.600 -4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.509 10.233 -3.476 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.849 9.063 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.270 9.679 -1.966 1.00 0.00 H new ATOM 340 N GLU A 22 -0.579 5.131 -3.742 1.00 0.00 N ATOM 341 CA GLU A 22 -1.132 4.101 -4.685 1.00 0.00 C ATOM 342 C GLU A 22 -1.838 2.999 -3.872 1.00 0.00 C ATOM 343 O GLU A 22 -2.896 2.528 -4.243 1.00 0.00 O ATOM 344 CB GLU A 22 0.041 3.455 -5.422 1.00 0.00 C ATOM 345 CG GLU A 22 0.230 4.078 -6.814 1.00 0.00 C ATOM 346 CD GLU A 22 0.863 5.475 -6.695 1.00 0.00 C ATOM 347 OE1 GLU A 22 1.982 5.568 -6.212 1.00 0.00 O ATOM 348 OE2 GLU A 22 0.217 6.428 -7.095 1.00 0.00 O ATOM 0 H GLU A 22 0.428 5.060 -3.595 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.831 4.567 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.953 3.578 -4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.133 2.383 -5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.865 3.435 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.732 4.150 -7.321 1.00 0.00 H new ATOM 355 N TRP A 23 -1.228 2.601 -2.761 1.00 0.00 N ATOM 356 CA TRP A 23 -1.785 1.539 -1.838 1.00 0.00 C ATOM 357 C TRP A 23 -3.272 1.802 -1.509 1.00 0.00 C ATOM 358 O TRP A 23 -4.070 0.889 -1.393 1.00 0.00 O ATOM 359 CB TRP A 23 -0.936 1.597 -0.524 1.00 0.00 C ATOM 360 CG TRP A 23 -1.427 2.681 0.412 1.00 0.00 C ATOM 361 CD1 TRP A 23 -1.277 3.979 0.219 1.00 0.00 C ATOM 362 CD2 TRP A 23 -2.187 2.555 1.628 1.00 0.00 C ATOM 363 NE1 TRP A 23 -1.887 4.665 1.265 1.00 0.00 N ATOM 364 CE2 TRP A 23 -2.424 3.815 2.178 1.00 0.00 C ATOM 365 CE3 TRP A 23 -2.650 1.468 2.285 1.00 0.00 C ATOM 366 CZ2 TRP A 23 -3.107 3.979 3.382 1.00 0.00 C ATOM 367 CZ3 TRP A 23 -3.344 1.583 3.498 1.00 0.00 C ATOM 368 CH2 TRP A 23 -3.562 2.848 4.059 1.00 0.00 C ATOM 0 H TRP A 23 -0.336 2.985 -2.449 1.00 0.00 H new ATOM 0 HA TRP A 23 -1.729 0.560 -2.314 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -0.981 0.632 -0.019 1.00 0.00 H new ATOM 0 HB3 TRP A 23 0.109 1.778 -0.774 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -0.764 4.434 -0.615 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -1.926 5.682 1.337 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -2.481 0.487 1.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -3.281 4.966 3.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -3.710 0.699 3.999 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.076 2.946 5.004 1.00 0.00 H new ATOM 379 N LEU A 24 -3.593 3.058 -1.315 1.00 0.00 N ATOM 380 CA LEU A 24 -4.938 3.487 -0.935 1.00 0.00 C ATOM 381 C LEU A 24 -5.851 3.586 -2.158 1.00 0.00 C ATOM 382 O LEU A 24 -7.053 3.443 -2.027 1.00 0.00 O ATOM 383 CB LEU A 24 -4.827 4.811 -0.164 1.00 0.00 C ATOM 384 CG LEU A 24 -4.665 6.014 -1.117 1.00 0.00 C ATOM 385 CD1 LEU A 24 -6.034 6.597 -1.497 1.00 0.00 C ATOM 386 CD2 LEU A 24 -3.832 7.097 -0.434 1.00 0.00 C ATOM 0 H LEU A 24 -2.930 3.826 -1.415 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.400 2.746 -0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.717 4.950 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.975 4.767 0.515 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.165 5.671 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.895 7.444 -2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.630 5.832 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.550 6.930 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.718 7.947 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.334 7.421 0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.849 6.697 -0.184 1.00 0.00 H new ATOM 398 N ARG A 25 -5.288 3.780 -3.349 1.00 0.00 N ATOM 399 CA ARG A 25 -6.126 3.814 -4.585 1.00 0.00 C ATOM 400 C ARG A 25 -6.901 2.470 -4.676 1.00 0.00 C ATOM 401 O ARG A 25 -8.009 2.432 -5.183 1.00 0.00 O ATOM 402 CB ARG A 25 -5.233 3.996 -5.828 1.00 0.00 C ATOM 403 CG ARG A 25 -5.624 5.282 -6.570 1.00 0.00 C ATOM 404 CD ARG A 25 -4.978 6.508 -5.901 1.00 0.00 C ATOM 405 NE ARG A 25 -3.487 6.459 -6.052 1.00 0.00 N ATOM 406 CZ ARG A 25 -2.927 6.586 -7.228 1.00 0.00 C ATOM 407 NH1 ARG A 25 -2.627 7.776 -7.684 1.00 0.00 N ATOM 408 NH2 ARG A 25 -2.660 5.517 -7.940 1.00 0.00 N ATOM 0 H ARG A 25 -4.288 3.914 -3.502 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.824 4.651 -4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.186 4.042 -5.530 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.338 3.137 -6.491 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.307 5.219 -7.611 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.708 5.391 -6.573 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.366 7.422 -6.350 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.242 6.535 -4.844 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.902 6.325 -5.228 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.830 8.603 -7.123 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.191 7.876 -8.600 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.889 4.592 -7.576 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.224 5.611 -8.857 1.00 0.00 H new ATOM 422 N LYS A 26 -6.344 1.387 -4.108 1.00 0.00 N ATOM 423 CA LYS A 26 -7.061 0.074 -4.077 1.00 0.00 C ATOM 424 C LYS A 26 -7.774 -0.026 -2.712 1.00 0.00 C ATOM 425 O LYS A 26 -8.898 -0.479 -2.638 1.00 0.00 O ATOM 426 CB LYS A 26 -6.054 -1.077 -4.230 1.00 0.00 C ATOM 427 CG LYS A 26 -6.804 -2.401 -4.435 1.00 0.00 C ATOM 428 CD LYS A 26 -5.833 -3.577 -4.270 1.00 0.00 C ATOM 429 CE LYS A 26 -6.595 -4.819 -3.785 1.00 0.00 C ATOM 430 NZ LYS A 26 -6.332 -5.041 -2.331 1.00 0.00 N ATOM 0 H LYS A 26 -5.423 1.379 -3.671 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.780 0.006 -4.894 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.396 -0.886 -5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.422 -1.140 -3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.617 -2.485 -3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.254 -2.425 -5.427 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.340 -3.789 -5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.051 -3.317 -3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.664 -4.690 -3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.285 -5.693 -4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.851 -5.883 -2.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.313 -5.183 -2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.649 -4.211 -1.790 1.00 0.00 H new ATOM 444 N LYS A 27 -7.106 0.416 -1.642 1.00 0.00 N ATOM 445 CA LYS A 27 -7.680 0.392 -0.248 1.00 0.00 C ATOM 446 C LYS A 27 -9.067 1.082 -0.191 1.00 0.00 C ATOM 447 O LYS A 27 -9.940 0.641 0.539 1.00 0.00 O ATOM 448 CB LYS A 27 -6.639 1.035 0.713 1.00 0.00 C ATOM 449 CG LYS A 27 -6.994 2.475 1.176 1.00 0.00 C ATOM 450 CD LYS A 27 -6.028 2.898 2.275 1.00 0.00 C ATOM 451 CE LYS A 27 -6.784 3.640 3.385 1.00 0.00 C ATOM 452 NZ LYS A 27 -7.263 2.662 4.409 1.00 0.00 N ATOM 0 H LYS A 27 -6.162 0.800 -1.691 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.862 -0.635 0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.534 0.400 1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.669 1.055 0.217 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.933 3.166 0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.020 2.510 1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.528 2.022 2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.252 3.541 1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.132 4.379 3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.630 4.182 2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.775 3.168 5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.899 1.973 3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.448 2.164 4.821 1.00 0.00 H new ATOM 466 N LEU A 28 -9.278 2.131 -0.975 1.00 0.00 N ATOM 467 CA LEU A 28 -10.610 2.831 -1.003 1.00 0.00 C ATOM 468 C LEU A 28 -11.660 1.882 -1.617 1.00 0.00 C ATOM 469 O LEU A 28 -12.742 1.731 -1.081 1.00 0.00 O ATOM 470 CB LEU A 28 -10.504 4.115 -1.844 1.00 0.00 C ATOM 471 CG LEU A 28 -10.544 5.343 -0.925 1.00 0.00 C ATOM 472 CD1 LEU A 28 -9.168 5.557 -0.286 1.00 0.00 C ATOM 473 CD2 LEU A 28 -10.924 6.580 -1.745 1.00 0.00 C ATOM 0 H LEU A 28 -8.576 2.530 -1.598 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.909 3.100 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.578 4.109 -2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.323 4.159 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.284 5.182 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.201 6.430 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.898 4.678 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.425 5.716 -1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.953 7.453 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.185 6.737 -2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.905 6.431 -2.195 1.00 0.00 H new ATOM 485 N GLN A 29 -11.324 1.221 -2.716 1.00 0.00 N ATOM 486 CA GLN A 29 -12.273 0.246 -3.359 1.00 0.00 C ATOM 487 C GLN A 29 -12.440 -1.005 -2.461 1.00 0.00 C ATOM 488 O GLN A 29 -13.504 -1.601 -2.435 1.00 0.00 O ATOM 489 CB GLN A 29 -11.726 -0.172 -4.735 1.00 0.00 C ATOM 490 CG GLN A 29 -12.887 -0.539 -5.671 1.00 0.00 C ATOM 491 CD GLN A 29 -13.496 0.734 -6.275 1.00 0.00 C ATOM 492 OE1 GLN A 29 -13.023 1.229 -7.277 1.00 0.00 O ATOM 493 NE2 GLN A 29 -14.533 1.291 -5.706 1.00 0.00 N ATOM 0 H GLN A 29 -10.428 1.320 -3.193 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.245 0.723 -3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.143 0.642 -5.167 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.053 -1.023 -4.625 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.531 -1.194 -6.466 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.649 -1.091 -5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.935 0.879 -4.864 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.940 2.137 -6.104 1.00 0.00 H new