USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 141 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 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -130:sc= 0.00181 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 159 N HIS A 11 7.328 22.707 1.065 1.00 21.35 N ATOM 160 CA HIS A 11 7.512 24.078 1.528 1.00 32.45 C ATOM 161 C HIS A 11 7.428 25.060 0.364 1.00 1.02 C ATOM 162 O HIS A 11 7.150 26.243 0.558 1.00 51.01 O ATOM 163 CB HIS A 11 8.859 24.223 2.238 1.00 74.45 C ATOM 164 CG HIS A 11 8.789 25.033 3.495 1.00 22.12 C ATOM 165 ND1 HIS A 11 8.259 24.550 4.673 1.00 3.32 N ATOM 166 CD2 HIS A 11 9.188 26.300 3.755 1.00 25.13 C ATOM 167 CE1 HIS A 11 8.334 25.486 5.603 1.00 71.21 C ATOM 168 NE2 HIS A 11 8.894 26.557 5.072 1.00 44.43 N ATOM 0 HA HIS A 11 6.713 24.308 2.232 1.00 32.45 H new ATOM 0 HB2 HIS A 11 9.244 23.231 2.476 1.00 74.45 H new ATOM 0 HB3 HIS A 11 9.572 24.687 1.556 1.00 74.45 H new ATOM 0 HD2 HIS A 11 9.651 26.982 3.057 1.00 25.13 H new ATOM 0 HE1 HIS A 11 7.995 25.391 6.624 1.00 71.21 H new ATOM 0 HE2 HIS A 11 9.078 27.433 5.560 1.00 44.43 H new ATOM 176 N GLN A 12 7.671 24.561 -0.843 1.00 44.25 N ATOM 177 CA GLN A 12 7.625 25.396 -2.038 1.00 13.11 C ATOM 178 C GLN A 12 6.184 25.723 -2.418 1.00 22.13 C ATOM 179 O GLN A 12 5.913 26.748 -3.043 1.00 71.03 O ATOM 180 CB GLN A 12 8.325 24.696 -3.203 1.00 65.53 C ATOM 181 CG GLN A 12 9.701 25.263 -3.516 1.00 54.01 C ATOM 182 CD GLN A 12 10.203 24.854 -4.887 1.00 33.02 C ATOM 183 OE1 GLN A 12 10.269 25.671 -5.806 1.00 1.04 O ATOM 184 NE2 GLN A 12 10.560 23.583 -5.032 1.00 1.33 N ATOM 0 H GLN A 12 7.902 23.583 -1.020 1.00 44.25 H new ATOM 0 HA GLN A 12 8.145 26.329 -1.819 1.00 13.11 H new ATOM 0 HB2 GLN A 12 8.422 23.635 -2.973 1.00 65.53 H new ATOM 0 HB3 GLN A 12 7.699 24.773 -4.092 1.00 65.53 H new ATOM 0 HG2 GLN A 12 9.664 26.351 -3.457 1.00 54.01 H new ATOM 0 HG3 GLN A 12 10.409 24.927 -2.759 1.00 54.01 H new ATOM 0 HE21 GLN A 12 10.489 22.940 -4.243 1.00 1.33 H new ATOM 0 HE22 GLN A 12 10.905 23.250 -5.932 1.00 1.33 H new ATOM 193 N LYS A 13 5.263 24.845 -2.036 1.00 22.41 N ATOM 194 CA LYS A 13 3.849 25.039 -2.335 1.00 24.00 C ATOM 195 C LYS A 13 3.231 26.069 -1.395 1.00 42.44 C ATOM 196 O LYS A 13 2.434 26.907 -1.817 1.00 14.45 O ATOM 197 CB LYS A 13 3.096 23.712 -2.221 1.00 33.02 C ATOM 198 CG LYS A 13 3.143 22.875 -3.487 1.00 64.51 C ATOM 199 CD LYS A 13 4.552 22.388 -3.781 1.00 24.31 C ATOM 200 CE LYS A 13 5.179 23.157 -4.934 1.00 11.24 C ATOM 201 NZ LYS A 13 4.865 22.537 -6.250 1.00 75.05 N ATOM 0 H LYS A 13 5.471 23.991 -1.518 1.00 22.41 H new ATOM 0 HA LYS A 13 3.766 25.410 -3.357 1.00 24.00 H new ATOM 0 HB2 LYS A 13 3.517 23.135 -1.398 1.00 33.02 H new ATOM 0 HB3 LYS A 13 2.055 23.915 -1.968 1.00 33.02 H new ATOM 0 HG2 LYS A 13 2.475 22.020 -3.384 1.00 64.51 H new ATOM 0 HG3 LYS A 13 2.778 23.465 -4.328 1.00 64.51 H new ATOM 0 HD2 LYS A 13 5.170 22.499 -2.890 1.00 24.31 H new ATOM 0 HD3 LYS A 13 4.528 21.325 -4.022 1.00 24.31 H new ATOM 0 HE2 LYS A 13 4.819 24.186 -4.922 1.00 11.24 H new ATOM 0 HE3 LYS A 13 6.260 23.196 -4.799 1.00 11.24 H new ATOM 0 HZ1 LYS A 13 5.310 23.090 -7.010 1.00 75.05 H new ATOM 0 HZ2 LYS A 13 5.230 21.564 -6.271 1.00 75.05 H new ATOM 0 HZ3 LYS A 13 3.835 22.523 -6.390 1.00 75.05 H new ATOM 215 N ARG A 14 3.605 26.002 -0.122 1.00 24.00 N ATOM 216 CA ARG A 14 3.087 26.929 0.877 1.00 45.54 C ATOM 217 C ARG A 14 3.427 28.371 0.508 1.00 62.31 C ATOM 218 O ARG A 14 2.781 29.310 0.973 1.00 34.54 O ATOM 219 CB ARG A 14 3.658 26.597 2.257 1.00 75.13 C ATOM 220 CG ARG A 14 3.318 27.628 3.321 1.00 72.14 C ATOM 221 CD ARG A 14 4.481 28.575 3.570 1.00 51.10 C ATOM 222 NE ARG A 14 4.046 29.967 3.647 1.00 43.21 N ATOM 223 CZ ARG A 14 3.491 30.505 4.727 1.00 11.11 C ATOM 224 NH1 ARG A 14 3.304 29.772 5.816 1.00 70.54 N ATOM 225 NH2 ARG A 14 3.122 31.780 4.720 1.00 73.40 N ATOM 0 H ARG A 14 4.265 25.315 0.242 1.00 24.00 H new ATOM 0 HA ARG A 14 2.002 26.825 0.905 1.00 45.54 H new ATOM 0 HB2 ARG A 14 3.281 25.624 2.572 1.00 75.13 H new ATOM 0 HB3 ARG A 14 4.742 26.510 2.181 1.00 75.13 H new ATOM 0 HG2 ARG A 14 2.443 28.199 3.010 1.00 72.14 H new ATOM 0 HG3 ARG A 14 3.055 27.121 4.249 1.00 72.14 H new ATOM 0 HD2 ARG A 14 4.981 28.299 4.499 1.00 51.10 H new ATOM 0 HD3 ARG A 14 5.214 28.468 2.770 1.00 51.10 H new ATOM 0 HE ARG A 14 4.176 30.559 2.826 1.00 43.21 H new ATOM 0 HH11 ARG A 14 3.587 28.792 5.826 1.00 70.54 H new ATOM 0 HH12 ARG A 14 2.878 30.188 6.644 1.00 70.54 H new ATOM 0 HH21 ARG A 14 3.265 32.348 3.885 1.00 73.40 H new ATOM 0 HH22 ARG A 14 2.696 32.192 5.550 1.00 73.40 H new ATOM 239 N ILE A 15 4.445 28.537 -0.330 1.00 1.44 N ATOM 240 CA ILE A 15 4.870 29.863 -0.761 1.00 13.54 C ATOM 241 C ILE A 15 4.064 30.333 -1.967 1.00 45.43 C ATOM 242 O ILE A 15 3.596 31.471 -2.009 1.00 21.40 O ATOM 243 CB ILE A 15 6.368 29.887 -1.117 1.00 31.22 C ATOM 244 CG1 ILE A 15 7.208 29.463 0.090 1.00 50.41 C ATOM 245 CG2 ILE A 15 6.777 31.272 -1.594 1.00 43.03 C ATOM 246 CD1 ILE A 15 8.644 29.140 -0.257 1.00 63.13 C ATOM 0 H ILE A 15 4.990 27.770 -0.724 1.00 1.44 H new ATOM 0 HA ILE A 15 4.694 30.538 0.076 1.00 13.54 H new ATOM 0 HB ILE A 15 6.546 29.179 -1.926 1.00 31.22 H new ATOM 0 HG12 ILE A 15 7.193 30.262 0.832 1.00 50.41 H new ATOM 0 HG13 ILE A 15 6.749 28.589 0.553 1.00 50.41 H new ATOM 0 HG21 ILE A 15 7.838 31.273 -1.842 1.00 43.03 H new ATOM 0 HG22 ILE A 15 6.198 31.538 -2.478 1.00 43.03 H new ATOM 0 HG23 ILE A 15 6.588 31.999 -0.804 1.00 43.03 H new ATOM 0 HD11 ILE A 15 9.180 28.847 0.646 1.00 63.13 H new ATOM 0 HD12 ILE A 15 8.669 28.321 -0.975 1.00 63.13 H new ATOM 0 HD13 ILE A 15 9.120 30.019 -0.692 1.00 63.13 H new ATOM 258 N ALA A 16 3.906 29.449 -2.947 1.00 1.32 N ATOM 259 CA ALA A 16 3.154 29.772 -4.153 1.00 11.01 C ATOM 260 C ALA A 16 1.678 29.989 -3.838 1.00 33.52 C ATOM 261 O ALA A 16 0.962 30.649 -4.592 1.00 5.25 O ATOM 262 CB ALA A 16 3.318 28.669 -5.188 1.00 44.33 C ATOM 0 H ALA A 16 4.289 28.504 -2.929 1.00 1.32 H new ATOM 0 HA ALA A 16 3.552 30.701 -4.562 1.00 11.01 H new ATOM 0 HB1 ALA A 16 2.751 28.923 -6.084 1.00 44.33 H new ATOM 0 HB2 ALA A 16 4.372 28.564 -5.444 1.00 44.33 H new ATOM 0 HB3 ALA A 16 2.948 27.729 -4.779 1.00 44.33 H new ATOM 268 N TYR A 17 1.228 29.428 -2.721 1.00 73.30 N ATOM 269 CA TYR A 17 -0.165 29.557 -2.308 1.00 42.01 C ATOM 270 C TYR A 17 -0.341 30.728 -1.346 1.00 53.14 C ATOM 271 O TYR A 17 -1.427 31.297 -1.236 1.00 52.44 O ATOM 272 CB TYR A 17 -0.645 28.264 -1.648 1.00 31.51 C ATOM 273 CG TYR A 17 -2.067 27.893 -2.005 1.00 1.21 C ATOM 274 CD1 TYR A 17 -2.405 27.527 -3.302 1.00 53.40 C ATOM 275 CD2 TYR A 17 -3.072 27.910 -1.046 1.00 1.11 C ATOM 276 CE1 TYR A 17 -3.703 27.189 -3.633 1.00 71.12 C ATOM 277 CE2 TYR A 17 -4.372 27.572 -1.368 1.00 30.34 C ATOM 278 CZ TYR A 17 -4.683 27.212 -2.662 1.00 43.14 C ATOM 279 OH TYR A 17 -5.977 26.876 -2.987 1.00 61.32 O ATOM 0 H TYR A 17 1.807 28.880 -2.085 1.00 73.30 H new ATOM 0 HA TYR A 17 -0.765 29.747 -3.198 1.00 42.01 H new ATOM 0 HB2 TYR A 17 0.018 27.449 -1.939 1.00 31.51 H new ATOM 0 HB3 TYR A 17 -0.566 28.367 -0.566 1.00 31.51 H new ATOM 0 HD1 TYR A 17 -1.640 27.506 -4.064 1.00 53.40 H new ATOM 0 HD2 TYR A 17 -2.833 28.192 -0.031 1.00 1.11 H new ATOM 0 HE1 TYR A 17 -3.949 26.908 -4.646 1.00 71.12 H new ATOM 0 HE2 TYR A 17 -5.141 27.590 -0.610 1.00 30.34 H new ATOM 0 HH TYR A 17 -6.542 26.942 -2.189 1.00 61.32 H new ATOM 289 N SER A 18 0.735 31.083 -0.652 1.00 63.41 N ATOM 290 CA SER A 18 0.700 32.184 0.303 1.00 23.44 C ATOM 291 C SER A 18 0.874 33.524 -0.405 1.00 62.53 C ATOM 292 O SER A 18 0.452 34.565 0.098 1.00 15.14 O ATOM 293 CB SER A 18 1.794 32.006 1.358 1.00 11.24 C ATOM 294 OG SER A 18 2.040 33.220 2.047 1.00 43.13 O ATOM 0 H SER A 18 1.642 30.624 -0.733 1.00 63.41 H new ATOM 0 HA SER A 18 -0.273 32.176 0.793 1.00 23.44 H new ATOM 0 HB2 SER A 18 1.497 31.235 2.068 1.00 11.24 H new ATOM 0 HB3 SER A 18 2.712 31.663 0.881 1.00 11.24 H new ATOM 0 HG SER A 18 3.003 33.402 2.055 1.00 43.13 H new ATOM 300 N LEU A 19 1.499 33.489 -1.577 1.00 22.00 N ATOM 301 CA LEU A 19 1.730 34.700 -2.357 1.00 20.00 C ATOM 302 C LEU A 19 0.537 35.003 -3.258 1.00 63.11 C ATOM 303 O LEU A 19 0.055 36.135 -3.308 1.00 15.14 O ATOM 304 CB LEU A 19 2.997 34.553 -3.201 1.00 61.32 C ATOM 305 CG LEU A 19 4.245 35.257 -2.668 1.00 12.44 C ATOM 306 CD1 LEU A 19 4.009 36.756 -2.566 1.00 12.33 C ATOM 307 CD2 LEU A 19 4.643 34.685 -1.315 1.00 1.21 C ATOM 0 H LEU A 19 1.855 32.636 -2.008 1.00 22.00 H new ATOM 0 HA LEU A 19 1.858 35.531 -1.663 1.00 20.00 H new ATOM 0 HB2 LEU A 19 3.220 33.491 -3.304 1.00 61.32 H new ATOM 0 HB3 LEU A 19 2.789 34.933 -4.201 1.00 61.32 H new ATOM 0 HG LEU A 19 5.063 35.085 -3.368 1.00 12.44 H new ATOM 0 HD11 LEU A 19 4.908 37.241 -2.185 1.00 12.33 H new ATOM 0 HD12 LEU A 19 3.772 37.155 -3.552 1.00 12.33 H new ATOM 0 HD13 LEU A 19 3.178 36.948 -1.888 1.00 12.33 H new ATOM 0 HD21 LEU A 19 5.533 35.198 -0.951 1.00 1.21 H new ATOM 0 HD22 LEU A 19 3.827 34.826 -0.606 1.00 1.21 H new ATOM 0 HD23 LEU A 19 4.854 33.621 -1.418 1.00 1.21 H new ATOM 319 N LEU A 20 0.065 33.984 -3.968 1.00 11.12 N ATOM 320 CA LEU A 20 -1.074 34.140 -4.866 1.00 42.32 C ATOM 321 C LEU A 20 -2.365 34.342 -4.079 1.00 43.21 C ATOM 322 O LEU A 20 -3.350 34.859 -4.605 1.00 21.34 O ATOM 323 CB LEU A 20 -1.203 32.917 -5.775 1.00 33.52 C ATOM 324 CG LEU A 20 -1.416 33.204 -7.262 1.00 24.14 C ATOM 325 CD1 LEU A 20 -0.097 33.120 -8.015 1.00 72.10 C ATOM 326 CD2 LEU A 20 -2.432 32.237 -7.852 1.00 1.22 C ATOM 0 H LEU A 20 0.453 33.041 -3.939 1.00 11.12 H new ATOM 0 HA LEU A 20 -0.903 35.024 -5.480 1.00 42.32 H new ATOM 0 HB2 LEU A 20 -0.302 32.313 -5.668 1.00 33.52 H new ATOM 0 HB3 LEU A 20 -2.037 32.312 -5.419 1.00 33.52 H new ATOM 0 HG LEU A 20 -1.806 34.216 -7.365 1.00 24.14 H new ATOM 0 HD11 LEU A 20 -0.267 33.327 -9.072 1.00 72.10 H new ATOM 0 HD12 LEU A 20 0.601 33.853 -7.610 1.00 72.10 H new ATOM 0 HD13 LEU A 20 0.322 32.120 -7.904 1.00 72.10 H new ATOM 0 HD21 LEU A 20 -2.571 32.456 -8.911 1.00 1.22 H new ATOM 0 HD22 LEU A 20 -2.071 31.215 -7.737 1.00 1.22 H new ATOM 0 HD23 LEU A 20 -3.383 32.346 -7.331 1.00 1.22 H new ATOM 338 N GLY A 21 -2.351 33.933 -2.814 1.00 61.21 N ATOM 339 CA GLY A 21 -3.525 34.079 -1.974 1.00 53.21 C ATOM 340 C GLY A 21 -3.717 35.502 -1.488 1.00 44.21 C ATOM 341 O GLY A 21 -4.846 35.953 -1.291 1.00 71.54 O ATOM 0 H GLY A 21 -1.547 33.503 -2.356 1.00 61.21 H new ATOM 0 HA2 GLY A 21 -4.408 33.767 -2.532 1.00 53.21 H new ATOM 0 HA3 GLY A 21 -3.438 33.414 -1.115 1.00 53.21 H new ATOM 345 N LEU A 22 -2.611 36.212 -1.292 1.00 12.21 N ATOM 346 CA LEU A 22 -2.662 37.593 -0.824 1.00 23.03 C ATOM 347 C LEU A 22 -2.505 38.568 -1.986 1.00 44.10 C ATOM 348 O LEU A 22 -3.011 39.690 -1.943 1.00 20.42 O ATOM 349 CB LEU A 22 -1.567 37.840 0.216 1.00 51.12 C ATOM 350 CG LEU A 22 -1.963 38.700 1.416 1.00 15.14 C ATOM 351 CD1 LEU A 22 -0.905 38.616 2.506 1.00 53.55 C ATOM 352 CD2 LEU A 22 -2.179 40.145 0.990 1.00 73.33 C ATOM 0 H LEU A 22 -1.669 35.855 -1.450 1.00 12.21 H new ATOM 0 HA LEU A 22 -3.636 37.759 -0.364 1.00 23.03 H new ATOM 0 HB2 LEU A 22 -1.220 36.875 0.585 1.00 51.12 H new ATOM 0 HB3 LEU A 22 -0.721 38.314 -0.282 1.00 51.12 H new ATOM 0 HG LEU A 22 -2.901 38.317 1.818 1.00 15.14 H new ATOM 0 HD11 LEU A 22 -1.204 39.235 3.352 1.00 53.55 H new ATOM 0 HD12 LEU A 22 -0.800 37.581 2.832 1.00 53.55 H new ATOM 0 HD13 LEU A 22 0.049 38.972 2.116 1.00 53.55 H new ATOM 0 HD21 LEU A 22 -2.460 40.742 1.858 1.00 73.33 H new ATOM 0 HD22 LEU A 22 -1.258 40.540 0.561 1.00 73.33 H new ATOM 0 HD23 LEU A 22 -2.974 40.190 0.246 1.00 73.33 H new ATOM 364 N LYS A 23 -1.801 38.133 -3.026 1.00 32.22 N ATOM 365 CA LYS A 23 -1.580 38.965 -4.203 1.00 24.35 C ATOM 366 C LYS A 23 -2.810 38.972 -5.104 1.00 34.35 C ATOM 367 O LYS A 23 -2.943 39.824 -5.982 1.00 73.11 O ATOM 368 CB LYS A 23 -0.364 38.463 -4.986 1.00 11.25 C ATOM 369 CG LYS A 23 0.958 38.709 -4.280 1.00 0.35 C ATOM 370 CD LYS A 23 1.689 39.905 -4.866 1.00 43.11 C ATOM 371 CE LYS A 23 1.272 41.201 -4.188 1.00 5.04 C ATOM 372 NZ LYS A 23 2.379 42.198 -4.168 1.00 72.32 N ATOM 0 H LYS A 23 -1.374 37.208 -3.077 1.00 32.22 H new ATOM 0 HA LYS A 23 -1.393 39.985 -3.866 1.00 24.35 H new ATOM 0 HB2 LYS A 23 -0.476 37.394 -5.168 1.00 11.25 H new ATOM 0 HB3 LYS A 23 -0.343 38.952 -5.960 1.00 11.25 H new ATOM 0 HG2 LYS A 23 0.779 38.876 -3.218 1.00 0.35 H new ATOM 0 HG3 LYS A 23 1.586 37.822 -4.362 1.00 0.35 H new ATOM 0 HD2 LYS A 23 2.764 39.765 -4.756 1.00 43.11 H new ATOM 0 HD3 LYS A 23 1.484 39.970 -5.935 1.00 43.11 H new ATOM 0 HE2 LYS A 23 0.413 41.623 -4.709 1.00 5.04 H new ATOM 0 HE3 LYS A 23 0.954 40.991 -3.167 1.00 5.04 H new ATOM 0 HZ1 LYS A 23 2.055 43.067 -3.698 1.00 72.32 H new ATOM 0 HZ2 LYS A 23 3.190 41.805 -3.649 1.00 72.32 H new ATOM 0 HZ3 LYS A 23 2.665 42.418 -5.143 1.00 72.32 H new ATOM 386 N ASP A 24 -3.708 38.018 -4.879 1.00 2.42 N ATOM 387 CA ASP A 24 -4.929 37.917 -5.669 1.00 33.42 C ATOM 388 C ASP A 24 -6.153 38.252 -4.822 1.00 74.34 C ATOM 389 O ASP A 24 -7.178 38.690 -5.344 1.00 14.03 O ATOM 390 CB ASP A 24 -5.068 36.510 -6.254 1.00 1.30 C ATOM 391 CG ASP A 24 -5.888 36.492 -7.529 1.00 33.13 C ATOM 392 OD1 ASP A 24 -5.393 35.964 -8.546 1.00 64.52 O ATOM 393 OD2 ASP A 24 -7.026 37.005 -7.509 1.00 14.03 O ATOM 0 H ASP A 24 -3.613 37.304 -4.156 1.00 2.42 H new ATOM 0 HA ASP A 24 -4.866 38.637 -6.485 1.00 33.42 H new ATOM 0 HB2 ASP A 24 -4.077 36.104 -6.457 1.00 1.30 H new ATOM 0 HB3 ASP A 24 -5.534 35.857 -5.516 1.00 1.30 H new ATOM 398 N GLN A 25 -6.038 38.041 -3.515 1.00 53.01 N ATOM 399 CA GLN A 25 -7.137 38.319 -2.597 1.00 43.24 C ATOM 400 C GLN A 25 -6.786 39.472 -1.662 1.00 72.04 C ATOM 401 O GLN A 25 -7.329 39.580 -0.563 1.00 0.13 O ATOM 402 CB GLN A 25 -7.476 37.071 -1.782 1.00 35.52 C ATOM 403 CG GLN A 25 -8.959 36.736 -1.770 1.00 54.41 C ATOM 404 CD GLN A 25 -9.287 35.567 -0.863 1.00 21.13 C ATOM 405 OE1 GLN A 25 -9.574 35.746 0.321 1.00 2.23 O ATOM 406 NE2 GLN A 25 -9.246 34.360 -1.414 1.00 71.34 N ATOM 0 H GLN A 25 -5.196 37.679 -3.068 1.00 53.01 H new ATOM 0 HA GLN A 25 -8.007 38.606 -3.187 1.00 43.24 H new ATOM 0 HB2 GLN A 25 -6.924 36.222 -2.186 1.00 35.52 H new ATOM 0 HB3 GLN A 25 -7.136 37.214 -0.756 1.00 35.52 H new ATOM 0 HG2 GLN A 25 -9.522 37.611 -1.446 1.00 54.41 H new ATOM 0 HG3 GLN A 25 -9.284 36.506 -2.785 1.00 54.41 H new ATOM 0 HE21 GLN A 25 -9.003 34.257 -2.399 1.00 71.34 H new ATOM 0 HE22 GLN A 25 -9.457 33.535 -0.852 1.00 71.34 H new ATOM 415 N VAL A 26 -5.875 40.332 -2.107 1.00 23.44 N ATOM 416 CA VAL A 26 -5.452 41.477 -1.310 1.00 1.21 C ATOM 417 C VAL A 26 -6.652 42.284 -0.828 1.00 51.51 C ATOM 418 O VAL A 26 -6.579 42.896 0.237 1.00 63.42 O ATOM 419 CB VAL A 26 -4.513 42.401 -2.109 1.00 32.32 C ATOM 420 CG1 VAL A 26 -5.262 43.059 -3.257 1.00 70.05 C ATOM 421 CG2 VAL A 26 -3.893 43.448 -1.196 1.00 71.21 C ATOM 0 H VAL A 26 -5.416 40.257 -3.015 1.00 23.44 H new ATOM 0 HA VAL A 26 -4.914 41.082 -0.448 1.00 1.21 H new ATOM 0 HB VAL A 26 -3.709 41.797 -2.530 1.00 32.32 H new ATOM 0 HG11 VAL A 26 -4.583 43.708 -3.810 1.00 70.05 H new ATOM 0 HG12 VAL A 26 -5.653 42.291 -3.924 1.00 70.05 H new ATOM 0 HG13 VAL A 26 -6.087 43.651 -2.861 1.00 70.05 H new ATOM 0 HG21 VAL A 26 -3.233 44.092 -1.777 1.00 71.21 H new ATOM 0 HG22 VAL A 26 -4.682 44.050 -0.744 1.00 71.21 H new ATOM 0 HG23 VAL A 26 -3.320 42.953 -0.412 1.00 71.21 H new