USER MOD reduce.3.24.130724 H: found=0, std=0, add=268, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 268 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 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 92:sc= 1.09 USER MOD Single : A 29 HIS : no HD1:sc= -4.08 K(o=-4.1,f=-6.2!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 72:sc= 1 USER MOD Single : A 39 ASN : amide:sc= -4.39 K(o=-4.4,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 215 N GLN A 12 -2.803 -18.907 -3.600 1.00 0.00 N ATOM 216 CA GLN A 12 -1.998 -18.697 -2.402 1.00 0.00 C ATOM 217 C GLN A 12 -0.823 -17.767 -2.689 1.00 0.00 C ATOM 218 O GLN A 12 -0.626 -16.766 -1.998 1.00 0.00 O ATOM 219 CB GLN A 12 -1.485 -20.035 -1.865 1.00 0.00 C ATOM 220 CG GLN A 12 -1.428 -20.100 -0.347 1.00 0.00 C ATOM 221 CD GLN A 12 -0.130 -19.550 0.211 1.00 0.00 C ATOM 222 OE1 GLN A 12 -0.031 -18.365 0.530 1.00 0.00 O ATOM 223 NE2 GLN A 12 0.874 -20.411 0.331 1.00 0.00 N ATOM 0 HA GLN A 12 -2.631 -18.229 -1.648 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.129 -20.835 -2.231 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.488 -20.220 -2.266 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.265 -19.539 0.069 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.548 -21.135 -0.026 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.747 -21.384 0.054 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.772 -20.099 0.700 1.00 0.00 H new ATOM 232 N ALA A 13 -0.046 -18.103 -3.712 1.00 0.00 N ATOM 233 CA ALA A 13 1.108 -17.298 -4.090 1.00 0.00 C ATOM 234 C ALA A 13 0.681 -15.904 -4.534 1.00 0.00 C ATOM 235 O ALA A 13 1.395 -14.925 -4.315 1.00 0.00 O ATOM 236 CB ALA A 13 1.894 -17.988 -5.195 1.00 0.00 C ATOM 0 H ALA A 13 -0.195 -18.927 -4.294 1.00 0.00 H new ATOM 0 HA ALA A 13 1.749 -17.193 -3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.753 -17.375 -5.467 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.239 -18.961 -4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.254 -18.123 -6.067 1.00 0.00 H new ATOM 242 N LEU A 14 -0.493 -15.820 -5.154 1.00 0.00 N ATOM 243 CA LEU A 14 -1.018 -14.545 -5.626 1.00 0.00 C ATOM 244 C LEU A 14 -1.417 -13.662 -4.451 1.00 0.00 C ATOM 245 O LEU A 14 -1.183 -12.453 -4.462 1.00 0.00 O ATOM 246 CB LEU A 14 -2.222 -14.772 -6.542 1.00 0.00 C ATOM 247 CG LEU A 14 -1.883 -14.972 -8.020 1.00 0.00 C ATOM 248 CD1 LEU A 14 -3.103 -15.457 -8.787 1.00 0.00 C ATOM 249 CD2 LEU A 14 -1.349 -13.681 -8.622 1.00 0.00 C ATOM 0 H LEU A 14 -1.098 -16.620 -5.341 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.234 -14.040 -6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.768 -15.647 -6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.894 -13.919 -6.451 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.107 -15.734 -8.096 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.842 -15.594 -9.837 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.441 -16.406 -8.371 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.901 -14.720 -8.704 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.113 -13.841 -9.674 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.103 -12.899 -8.534 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.448 -13.377 -8.090 1.00 0.00 H new ATOM 261 N VAL A 15 -2.010 -14.274 -3.434 1.00 0.00 N ATOM 262 CA VAL A 15 -2.430 -13.544 -2.246 1.00 0.00 C ATOM 263 C VAL A 15 -1.220 -13.078 -1.445 1.00 0.00 C ATOM 264 O VAL A 15 -1.274 -12.060 -0.755 1.00 0.00 O ATOM 265 CB VAL A 15 -3.335 -14.405 -1.343 1.00 0.00 C ATOM 266 CG1 VAL A 15 -3.856 -13.589 -0.170 1.00 0.00 C ATOM 267 CG2 VAL A 15 -4.486 -14.995 -2.145 1.00 0.00 C ATOM 0 H VAL A 15 -2.211 -15.274 -3.408 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.999 -12.678 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.740 -15.227 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.493 -14.215 0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.016 -13.223 0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.433 -12.743 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.114 -15.600 -1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.081 -14.189 -2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.089 -15.620 -2.945 1.00 0.00 H new ATOM 277 N GLY A 16 -0.123 -13.824 -1.549 1.00 0.00 N ATOM 278 CA GLY A 16 1.085 -13.462 -0.838 1.00 0.00 C ATOM 279 C GLY A 16 1.771 -12.277 -1.475 1.00 0.00 C ATOM 280 O GLY A 16 2.004 -11.258 -0.825 1.00 0.00 O ATOM 0 H GLY A 16 -0.052 -14.671 -2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.842 -13.228 0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.767 -14.312 -0.821 1.00 0.00 H new ATOM 284 N LEU A 17 2.085 -12.410 -2.757 1.00 0.00 N ATOM 285 CA LEU A 17 2.736 -11.346 -3.498 1.00 0.00 C ATOM 286 C LEU A 17 1.847 -10.110 -3.560 1.00 0.00 C ATOM 287 O LEU A 17 2.290 -8.995 -3.283 1.00 0.00 O ATOM 288 CB LEU A 17 3.061 -11.828 -4.909 1.00 0.00 C ATOM 289 CG LEU A 17 1.888 -12.450 -5.666 1.00 0.00 C ATOM 290 CD1 LEU A 17 1.192 -11.404 -6.522 1.00 0.00 C ATOM 291 CD2 LEU A 17 2.368 -13.615 -6.519 1.00 0.00 C ATOM 0 H LEU A 17 1.897 -13.250 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 17 3.660 -11.078 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.440 -10.985 -5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.865 -12.561 -4.850 1.00 0.00 H new ATOM 0 HG LEU A 17 1.167 -12.830 -4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.359 -11.864 -7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.817 -10.603 -5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.900 -10.993 -7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.522 -14.048 -7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.107 -13.260 -7.238 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.820 -14.373 -5.879 1.00 0.00 H new ATOM 303 N ALA A 18 0.587 -10.322 -3.925 1.00 0.00 N ATOM 304 CA ALA A 18 -0.377 -9.234 -4.027 1.00 0.00 C ATOM 305 C ALA A 18 -0.505 -8.483 -2.706 1.00 0.00 C ATOM 306 O ALA A 18 -0.470 -7.255 -2.677 1.00 0.00 O ATOM 307 CB ALA A 18 -1.732 -9.768 -4.465 1.00 0.00 C ATOM 0 H ALA A 18 0.209 -11.241 -4.156 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.014 -8.533 -4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.442 -8.944 -4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.636 -10.250 -5.438 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.091 -10.493 -3.735 1.00 0.00 H new ATOM 313 N THR A 19 -0.651 -9.226 -1.613 1.00 0.00 N ATOM 314 CA THR A 19 -0.782 -8.617 -0.294 1.00 0.00 C ATOM 315 C THR A 19 0.510 -7.907 0.101 1.00 0.00 C ATOM 316 O THR A 19 0.483 -6.874 0.763 1.00 0.00 O ATOM 317 CB THR A 19 -1.143 -9.678 0.749 1.00 0.00 C ATOM 318 OG1 THR A 19 -2.409 -10.247 0.465 1.00 0.00 O ATOM 319 CG2 THR A 19 -1.193 -9.140 2.164 1.00 0.00 C ATOM 0 H THR A 19 -0.681 -10.246 -1.614 1.00 0.00 H new ATOM 0 HA THR A 19 -1.583 -7.879 -0.335 1.00 0.00 H new ATOM 0 HB THR A 19 -0.348 -10.422 0.689 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.291 -11.046 -0.090 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.454 -9.945 2.850 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.218 -8.735 2.434 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.943 -8.352 2.227 1.00 0.00 H new ATOM 327 N PHE A 20 1.638 -8.472 -0.312 1.00 0.00 N ATOM 328 CA PHE A 20 2.944 -7.897 -0.004 1.00 0.00 C ATOM 329 C PHE A 20 3.080 -6.496 -0.592 1.00 0.00 C ATOM 330 O PHE A 20 3.367 -5.536 0.124 1.00 0.00 O ATOM 331 CB PHE A 20 4.060 -8.796 -0.540 1.00 0.00 C ATOM 332 CG PHE A 20 5.252 -8.880 0.370 1.00 0.00 C ATOM 333 CD1 PHE A 20 5.247 -9.730 1.464 1.00 0.00 C ATOM 334 CD2 PHE A 20 6.378 -8.108 0.131 1.00 0.00 C ATOM 335 CE1 PHE A 20 6.341 -9.809 2.303 1.00 0.00 C ATOM 336 CE2 PHE A 20 7.476 -8.182 0.967 1.00 0.00 C ATOM 337 CZ PHE A 20 7.458 -9.034 2.054 1.00 0.00 C ATOM 0 H PHE A 20 1.676 -9.330 -0.862 1.00 0.00 H new ATOM 0 HA PHE A 20 3.031 -7.825 1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.663 -9.799 -0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.381 -8.422 -1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.377 -10.338 1.663 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.398 -7.441 -0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.324 -10.476 3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.347 -7.574 0.771 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.315 -9.094 2.708 1.00 0.00 H new ATOM 347 N LEU A 21 2.877 -6.379 -1.900 1.00 0.00 N ATOM 348 CA LEU A 21 2.979 -5.087 -2.566 1.00 0.00 C ATOM 349 C LEU A 21 1.862 -4.151 -2.108 1.00 0.00 C ATOM 350 O LEU A 21 2.094 -2.970 -1.857 1.00 0.00 O ATOM 351 CB LEU A 21 2.944 -5.259 -4.089 1.00 0.00 C ATOM 352 CG LEU A 21 1.607 -5.725 -4.667 1.00 0.00 C ATOM 353 CD1 LEU A 21 0.758 -4.532 -5.077 1.00 0.00 C ATOM 354 CD2 LEU A 21 1.834 -6.650 -5.854 1.00 0.00 C ATOM 0 H LEU A 21 2.643 -7.158 -2.516 1.00 0.00 H new ATOM 0 HA LEU A 21 3.934 -4.639 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.208 -4.308 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.713 -5.976 -4.374 1.00 0.00 H new ATOM 0 HG LEU A 21 1.072 -6.278 -3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.189 -4.883 -5.486 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.567 -3.905 -4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.287 -3.952 -5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.872 -6.972 -6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.389 -6.119 -6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.404 -7.522 -5.532 1.00 0.00 H new ATOM 366 N PHE A 22 0.650 -4.689 -2.003 1.00 0.00 N ATOM 367 CA PHE A 22 -0.504 -3.904 -1.573 1.00 0.00 C ATOM 368 C PHE A 22 -0.262 -3.257 -0.212 1.00 0.00 C ATOM 369 O PHE A 22 -0.465 -2.054 -0.043 1.00 0.00 O ATOM 370 CB PHE A 22 -1.757 -4.783 -1.513 1.00 0.00 C ATOM 371 CG PHE A 22 -2.616 -4.688 -2.741 1.00 0.00 C ATOM 372 CD1 PHE A 22 -2.172 -5.185 -3.956 1.00 0.00 C ATOM 373 CD2 PHE A 22 -3.870 -4.102 -2.679 1.00 0.00 C ATOM 374 CE1 PHE A 22 -2.961 -5.098 -5.087 1.00 0.00 C ATOM 375 CE2 PHE A 22 -4.665 -4.013 -3.807 1.00 0.00 C ATOM 376 CZ PHE A 22 -4.210 -4.511 -5.011 1.00 0.00 C ATOM 0 H PHE A 22 0.441 -5.666 -2.210 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.655 -3.112 -2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.456 -5.821 -1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.349 -4.499 -0.643 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.197 -5.646 -4.020 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.231 -3.710 -1.739 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.603 -5.488 -6.028 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.641 -3.554 -3.746 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.829 -4.442 -5.893 1.00 0.00 H new ATOM 386 N VAL A 23 0.158 -4.063 0.759 1.00 0.00 N ATOM 387 CA VAL A 23 0.408 -3.572 2.105 1.00 0.00 C ATOM 388 C VAL A 23 1.566 -2.576 2.131 1.00 0.00 C ATOM 389 O VAL A 23 1.442 -1.483 2.682 1.00 0.00 O ATOM 390 CB VAL A 23 0.699 -4.736 3.076 1.00 0.00 C ATOM 391 CG1 VAL A 23 -0.431 -5.753 3.041 1.00 0.00 C ATOM 392 CG2 VAL A 23 2.026 -5.409 2.760 1.00 0.00 C ATOM 0 H VAL A 23 0.332 -5.060 0.636 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.496 -3.059 2.431 1.00 0.00 H new ATOM 0 HB VAL A 23 0.768 -4.319 4.081 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.210 -6.567 3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.363 -5.271 3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.531 -6.151 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.198 -6.223 3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.000 -5.806 1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.833 -4.681 2.844 1.00 0.00 H new ATOM 402 N LEU A 24 2.685 -2.958 1.530 1.00 0.00 N ATOM 403 CA LEU A 24 3.860 -2.100 1.480 1.00 0.00 C ATOM 404 C LEU A 24 3.521 -0.746 0.864 1.00 0.00 C ATOM 405 O LEU A 24 3.668 0.299 1.503 1.00 0.00 O ATOM 406 CB LEU A 24 4.964 -2.776 0.669 1.00 0.00 C ATOM 407 CG LEU A 24 6.382 -2.367 1.054 1.00 0.00 C ATOM 408 CD1 LEU A 24 6.595 -0.888 0.778 1.00 0.00 C ATOM 409 CD2 LEU A 24 6.641 -2.685 2.518 1.00 0.00 C ATOM 0 H LEU A 24 2.803 -3.860 1.069 1.00 0.00 H new ATOM 0 HA LEU A 24 4.207 -1.936 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.869 -3.856 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.810 -2.551 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 24 7.090 -2.934 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.611 -0.608 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.443 -0.690 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.884 -0.303 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.656 -2.388 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.931 -2.139 3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.521 -3.756 2.685 1.00 0.00 H new ATOM 421 N ALA A 25 3.066 -0.776 -0.384 1.00 0.00 N ATOM 422 CA ALA A 25 2.701 0.440 -1.097 1.00 0.00 C ATOM 423 C ALA A 25 1.615 1.205 -0.351 1.00 0.00 C ATOM 424 O ALA A 25 1.574 2.433 -0.386 1.00 0.00 O ATOM 425 CB ALA A 25 2.241 0.107 -2.508 1.00 0.00 C ATOM 0 H ALA A 25 2.941 -1.633 -0.923 1.00 0.00 H new ATOM 0 HA ALA A 25 3.583 1.077 -1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.971 1.026 -3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.048 -0.392 -3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.374 -0.552 -2.462 1.00 0.00 H new ATOM 431 N LEU A 26 0.739 0.473 0.329 1.00 0.00 N ATOM 432 CA LEU A 26 -0.340 1.090 1.090 1.00 0.00 C ATOM 433 C LEU A 26 0.220 1.914 2.245 1.00 0.00 C ATOM 434 O LEU A 26 -0.190 3.054 2.466 1.00 0.00 O ATOM 435 CB LEU A 26 -1.295 0.022 1.627 1.00 0.00 C ATOM 436 CG LEU A 26 -2.454 -0.337 0.695 1.00 0.00 C ATOM 437 CD1 LEU A 26 -3.094 -1.649 1.122 1.00 0.00 C ATOM 438 CD2 LEU A 26 -3.486 0.780 0.676 1.00 0.00 C ATOM 0 H LEU A 26 0.755 -0.546 0.368 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.891 1.752 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.724 -0.882 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.705 0.367 2.576 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.061 -0.459 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.916 -1.889 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.351 -2.445 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.474 -1.554 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.304 0.509 0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.875 0.933 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.020 1.700 0.323 1.00 0.00 H new ATOM 450 N LEU A 27 1.160 1.326 2.979 1.00 0.00 N ATOM 451 CA LEU A 27 1.780 1.998 4.114 1.00 0.00 C ATOM 452 C LEU A 27 2.524 3.254 3.671 1.00 0.00 C ATOM 453 O LEU A 27 2.269 4.348 4.178 1.00 0.00 O ATOM 454 CB LEU A 27 2.741 1.047 4.830 1.00 0.00 C ATOM 455 CG LEU A 27 2.115 0.211 5.949 1.00 0.00 C ATOM 456 CD1 LEU A 27 0.882 -0.526 5.446 1.00 0.00 C ATOM 457 CD2 LEU A 27 3.132 -0.766 6.517 1.00 0.00 C ATOM 0 H LEU A 27 1.509 0.383 2.807 1.00 0.00 H new ATOM 0 HA LEU A 27 0.989 2.295 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.175 0.372 4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.560 1.631 5.249 1.00 0.00 H new ATOM 0 HG LEU A 27 1.804 0.885 6.747 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.453 -1.114 6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.146 0.196 5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.163 -1.189 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.669 -1.352 7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.476 -1.434 5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.981 -0.214 6.921 1.00 0.00 H new ATOM 468 N ILE A 28 3.448 3.094 2.727 1.00 0.00 N ATOM 469 CA ILE A 28 4.225 4.217 2.230 1.00 0.00 C ATOM 470 C ILE A 28 3.327 5.262 1.572 1.00 0.00 C ATOM 471 O ILE A 28 3.462 6.459 1.826 1.00 0.00 O ATOM 472 CB ILE A 28 5.293 3.753 1.221 1.00 0.00 C ATOM 473 CG1 ILE A 28 4.641 3.027 0.041 1.00 0.00 C ATOM 474 CG2 ILE A 28 6.311 2.855 1.910 1.00 0.00 C ATOM 475 CD1 ILE A 28 5.639 2.439 -0.935 1.00 0.00 C ATOM 0 H ILE A 28 3.674 2.198 2.294 1.00 0.00 H new ATOM 0 HA ILE A 28 4.722 4.667 3.090 1.00 0.00 H new ATOM 0 HB ILE A 28 5.811 4.630 0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.005 2.228 0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.993 3.724 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.061 2.533 1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.796 3.406 2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.806 1.981 2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.106 1.940 -1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.259 3.236 -1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 28 6.271 1.717 -0.418 1.00 0.00 H new ATOM 487 N HIS A 29 2.408 4.800 0.732 1.00 0.00 N ATOM 488 CA HIS A 29 1.483 5.693 0.044 1.00 0.00 C ATOM 489 C HIS A 29 0.610 6.438 1.046 1.00 0.00 C ATOM 490 O HIS A 29 0.281 7.607 0.849 1.00 0.00 O ATOM 491 CB HIS A 29 0.604 4.907 -0.929 1.00 0.00 C ATOM 492 CG HIS A 29 -0.249 5.774 -1.801 1.00 0.00 C ATOM 493 ND1 HIS A 29 0.252 6.824 -2.541 1.00 0.00 N ATOM 494 CD2 HIS A 29 -1.580 5.746 -2.048 1.00 0.00 C ATOM 495 CE1 HIS A 29 -0.732 7.404 -3.204 1.00 0.00 C ATOM 496 NE2 HIS A 29 -1.854 6.768 -2.924 1.00 0.00 N ATOM 0 H HIS A 29 2.283 3.812 0.511 1.00 0.00 H new ATOM 0 HA HIS A 29 2.069 6.420 -0.518 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.240 4.286 -1.560 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.038 4.233 -0.362 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -2.294 5.050 -1.633 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.635 8.254 -3.863 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.775 6.998 -3.297 1.00 0.00 H new ATOM 505 N PHE A 30 0.235 5.749 2.118 1.00 0.00 N ATOM 506 CA PHE A 30 -0.606 6.333 3.155 1.00 0.00 C ATOM 507 C PHE A 30 0.121 7.454 3.892 1.00 0.00 C ATOM 508 O PHE A 30 -0.466 8.503 4.169 1.00 0.00 O ATOM 509 CB PHE A 30 -1.044 5.257 4.151 1.00 0.00 C ATOM 510 CG PHE A 30 -1.970 5.767 5.218 1.00 0.00 C ATOM 511 CD1 PHE A 30 -1.466 6.308 6.390 1.00 0.00 C ATOM 512 CD2 PHE A 30 -3.344 5.706 5.049 1.00 0.00 C ATOM 513 CE1 PHE A 30 -2.315 6.778 7.373 1.00 0.00 C ATOM 514 CE2 PHE A 30 -4.199 6.174 6.028 1.00 0.00 C ATOM 515 CZ PHE A 30 -3.683 6.712 7.192 1.00 0.00 C ATOM 0 H PHE A 30 0.502 4.780 2.292 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.486 6.756 2.671 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.537 4.451 3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.160 4.829 4.623 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.397 6.363 6.536 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.752 5.287 4.141 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.910 7.197 8.282 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.268 6.120 5.884 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.348 7.080 7.959 1.00 0.00 H new ATOM 525 N ILE A 31 1.396 7.240 4.206 1.00 0.00 N ATOM 526 CA ILE A 31 2.172 8.250 4.907 1.00 0.00 C ATOM 527 C ILE A 31 2.373 9.473 4.020 1.00 0.00 C ATOM 528 O ILE A 31 2.104 10.600 4.435 1.00 0.00 O ATOM 529 CB ILE A 31 3.537 7.695 5.385 1.00 0.00 C ATOM 530 CG1 ILE A 31 3.841 8.189 6.800 1.00 0.00 C ATOM 531 CG2 ILE A 31 4.658 8.088 4.433 1.00 0.00 C ATOM 532 CD1 ILE A 31 3.915 9.696 6.913 1.00 0.00 C ATOM 0 H ILE A 31 1.907 6.384 3.987 1.00 0.00 H new ATOM 0 HA ILE A 31 1.610 8.544 5.793 1.00 0.00 H new ATOM 0 HB ILE A 31 3.474 6.607 5.395 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.071 7.820 7.478 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.788 7.761 7.129 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.603 7.683 4.796 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.450 7.688 3.441 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.726 9.175 4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.134 9.973 7.944 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.704 10.071 6.261 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.961 10.130 6.615 1.00 0.00 H new ATOM 544 N LEU A 32 2.825 9.247 2.785 1.00 0.00 N ATOM 545 CA LEU A 32 3.027 10.344 1.852 1.00 0.00 C ATOM 546 C LEU A 32 1.691 11.015 1.583 1.00 0.00 C ATOM 547 O LEU A 32 1.626 12.205 1.280 1.00 0.00 O ATOM 548 CB LEU A 32 3.659 9.851 0.547 1.00 0.00 C ATOM 549 CG LEU A 32 2.841 8.823 -0.236 1.00 0.00 C ATOM 550 CD1 LEU A 32 1.703 9.502 -0.985 1.00 0.00 C ATOM 551 CD2 LEU A 32 3.736 8.061 -1.201 1.00 0.00 C ATOM 0 H LEU A 32 3.054 8.324 2.416 1.00 0.00 H new ATOM 0 HA LEU A 32 3.715 11.065 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.839 10.712 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.632 9.416 0.777 1.00 0.00 H new ATOM 0 HG LEU A 32 2.409 8.114 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.133 8.754 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.049 10.006 -0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.112 10.233 -1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.141 7.333 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.194 8.760 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.516 7.544 -0.642 1.00 0.00 H new ATOM 563 N LEU A 33 0.620 10.240 1.731 1.00 0.00 N ATOM 564 CA LEU A 33 -0.724 10.750 1.547 1.00 0.00 C ATOM 565 C LEU A 33 -0.988 11.852 2.555 1.00 0.00 C ATOM 566 O LEU A 33 -1.146 13.020 2.198 1.00 0.00 O ATOM 567 CB LEU A 33 -1.745 9.629 1.719 1.00 0.00 C ATOM 568 CG LEU A 33 -2.636 9.410 0.510 1.00 0.00 C ATOM 569 CD1 LEU A 33 -2.008 8.401 -0.441 1.00 0.00 C ATOM 570 CD2 LEU A 33 -4.021 8.954 0.941 1.00 0.00 C ATOM 0 H LEU A 33 0.664 9.252 1.979 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.818 11.152 0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.216 8.702 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.371 9.852 2.583 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.739 10.358 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.661 8.257 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.040 8.772 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.872 7.450 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.645 8.802 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.940 8.018 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.472 9.714 1.579 1.00 0.00 H new ATOM 582 N SER A 34 -1.008 11.467 3.826 1.00 0.00 N ATOM 583 CA SER A 34 -1.222 12.417 4.902 1.00 0.00 C ATOM 584 C SER A 34 -0.138 13.489 4.881 1.00 0.00 C ATOM 585 O SER A 34 -0.307 14.564 5.455 1.00 0.00 O ATOM 586 CB SER A 34 -1.223 11.700 6.254 1.00 0.00 C ATOM 587 OG SER A 34 -2.457 11.042 6.481 1.00 0.00 O ATOM 0 H SER A 34 -0.878 10.503 4.133 1.00 0.00 H new ATOM 0 HA SER A 34 -2.192 12.892 4.757 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.410 10.975 6.285 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.039 12.420 7.051 1.00 0.00 H new ATOM 0 HG SER A 34 -2.432 10.590 7.350 1.00 0.00 H new ATOM 593 N THR A 35 0.980 13.193 4.211 1.00 0.00 N ATOM 594 CA THR A 35 2.082 14.148 4.122 1.00 0.00 C ATOM 595 C THR A 35 1.726 15.300 3.187 1.00 0.00 C ATOM 596 O THR A 35 1.647 16.458 3.607 1.00 0.00 O ATOM 597 CB THR A 35 3.356 13.451 3.637 1.00 0.00 C ATOM 598 OG1 THR A 35 3.741 12.426 4.535 1.00 0.00 O ATOM 599 CG2 THR A 35 4.534 14.390 3.486 1.00 0.00 C ATOM 0 H THR A 35 1.143 12.309 3.728 1.00 0.00 H new ATOM 0 HA THR A 35 2.260 14.554 5.118 1.00 0.00 H new ATOM 0 HB THR A 35 3.105 13.046 2.657 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.114 11.676 4.463 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.403 13.831 3.139 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.290 15.167 2.761 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.759 14.850 4.448 1.00 0.00 H new ATOM 607 N GLU A 36 1.511 14.973 1.916 1.00 0.00 N ATOM 608 CA GLU A 36 1.162 15.974 0.917 1.00 0.00 C ATOM 609 C GLU A 36 -0.145 16.664 1.288 1.00 0.00 C ATOM 610 O GLU A 36 -0.287 17.874 1.118 1.00 0.00 O ATOM 611 CB GLU A 36 1.039 15.328 -0.464 1.00 0.00 C ATOM 612 CG GLU A 36 1.208 16.309 -1.612 1.00 0.00 C ATOM 613 CD GLU A 36 1.988 15.721 -2.771 1.00 0.00 C ATOM 614 OE1 GLU A 36 3.192 15.440 -2.595 1.00 0.00 O ATOM 615 OE2 GLU A 36 1.395 15.540 -3.856 1.00 0.00 O ATOM 0 H GLU A 36 1.573 14.021 1.555 1.00 0.00 H new ATOM 0 HA GLU A 36 1.956 16.720 0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.788 14.542 -0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.063 14.850 -0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.225 16.625 -1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.719 17.201 -1.250 1.00 0.00 H new ATOM 622 N ARG A 37 -1.091 15.889 1.807 1.00 0.00 N ATOM 623 CA ARG A 37 -2.379 16.433 2.214 1.00 0.00 C ATOM 624 C ARG A 37 -2.190 17.413 3.366 1.00 0.00 C ATOM 625 O ARG A 37 -2.871 18.436 3.448 1.00 0.00 O ATOM 626 CB ARG A 37 -3.329 15.308 2.627 1.00 0.00 C ATOM 627 CG ARG A 37 -4.751 15.498 2.124 1.00 0.00 C ATOM 628 CD ARG A 37 -4.992 14.731 0.834 1.00 0.00 C ATOM 629 NE ARG A 37 -6.309 14.098 0.811 1.00 0.00 N ATOM 630 CZ ARG A 37 -6.636 13.098 -0.004 1.00 0.00 C ATOM 631 NH1 ARG A 37 -5.749 12.615 -0.864 1.00 0.00 N ATOM 632 NH2 ARG A 37 -7.856 12.578 0.042 1.00 0.00 N ATOM 0 H ARG A 37 -0.990 14.885 1.955 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.818 16.962 1.368 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.943 14.361 2.251 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.344 15.237 3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.455 15.162 2.885 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.941 16.559 1.959 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.901 15.410 -0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.222 13.969 0.716 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.019 14.443 1.457 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.809 13.010 -0.904 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.006 11.848 -1.486 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.542 12.945 0.702 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.108 11.812 -0.582 1.00 0.00 H new ATOM 646 N PHE A 38 -1.246 17.095 4.248 1.00 0.00 N ATOM 647 CA PHE A 38 -0.951 17.950 5.389 1.00 0.00 C ATOM 648 C PHE A 38 -0.460 19.311 4.915 1.00 0.00 C ATOM 649 O PHE A 38 -1.107 20.329 5.154 1.00 0.00 O ATOM 650 CB PHE A 38 0.100 17.298 6.291 1.00 0.00 C ATOM 651 CG PHE A 38 -0.478 16.645 7.515 1.00 0.00 C ATOM 652 CD1 PHE A 38 -1.641 15.895 7.434 1.00 0.00 C ATOM 653 CD2 PHE A 38 0.143 16.780 8.746 1.00 0.00 C ATOM 654 CE1 PHE A 38 -2.174 15.293 8.559 1.00 0.00 C ATOM 655 CE2 PHE A 38 -0.385 16.181 9.874 1.00 0.00 C ATOM 656 CZ PHE A 38 -1.545 15.437 9.781 1.00 0.00 C ATOM 0 H PHE A 38 -0.674 16.252 4.193 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.867 18.085 5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.648 16.551 5.716 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.821 18.055 6.600 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.136 15.780 6.481 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.050 17.360 8.825 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.081 14.711 8.483 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.109 16.295 10.828 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.960 14.969 10.661 1.00 0.00 H new ATOM 666 N ASN A 39 0.683 19.318 4.230 1.00 0.00 N ATOM 667 CA ASN A 39 1.258 20.558 3.713 1.00 0.00 C ATOM 668 C ASN A 39 0.311 21.235 2.717 1.00 0.00 C ATOM 669 O ASN A 39 0.428 22.432 2.443 1.00 0.00 O ATOM 670 CB ASN A 39 2.603 20.276 3.038 1.00 0.00 C ATOM 671 CG ASN A 39 2.532 19.120 2.061 1.00 0.00 C ATOM 672 OD1 ASN A 39 3.053 18.036 2.325 1.00 0.00 O ATOM 673 ND2 ASN A 39 1.887 19.344 0.922 1.00 0.00 N ATOM 0 H ASN A 39 1.227 18.481 4.021 1.00 0.00 H new ATOM 0 HA ASN A 39 1.410 21.233 4.555 1.00 0.00 H new ATOM 0 HB2 ASN A 39 2.937 21.171 2.513 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.350 20.057 3.801 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.809 18.603 0.226 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.470 20.257 0.743 1.00 0.00 H new ATOM 680 N TRP A 40 -0.635 20.458 2.195 1.00 0.00 N ATOM 681 CA TRP A 40 -1.617 20.960 1.239 1.00 0.00 C ATOM 682 C TRP A 40 -2.579 21.899 1.936 1.00 0.00 C ATOM 683 O TRP A 40 -2.510 23.117 1.772 1.00 0.00 O ATOM 684 CB TRP A 40 -2.382 19.801 0.590 1.00 0.00 C ATOM 685 CG TRP A 40 -3.451 20.247 -0.361 1.00 0.00 C ATOM 686 CD1 TRP A 40 -4.652 20.808 -0.038 1.00 0.00 C ATOM 687 CD2 TRP A 40 -3.413 20.167 -1.790 1.00 0.00 C ATOM 688 NE1 TRP A 40 -5.365 21.084 -1.181 1.00 0.00 N ATOM 689 CE2 TRP A 40 -4.627 20.699 -2.269 1.00 0.00 C ATOM 690 CE3 TRP A 40 -2.473 19.699 -2.712 1.00 0.00 C ATOM 691 CZ2 TRP A 40 -4.922 20.774 -3.628 1.00 0.00 C ATOM 692 CZ3 TRP A 40 -2.768 19.774 -4.061 1.00 0.00 C ATOM 693 CH2 TRP A 40 -3.984 20.308 -4.508 1.00 0.00 C ATOM 0 H TRP A 40 -0.742 19.469 2.421 1.00 0.00 H new ATOM 0 HA TRP A 40 -1.093 21.505 0.454 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -1.676 19.164 0.057 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.834 19.192 1.372 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.993 21.006 0.968 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -6.293 21.507 -1.213 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.533 19.286 -2.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.858 21.186 -3.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.049 19.415 -4.782 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.185 20.353 -5.568 1.00 0.00 H new ATOM 704 N LEU A 41 -3.457 21.323 2.749 1.00 0.00 N ATOM 705 CA LEU A 41 -4.407 22.113 3.506 1.00 0.00 C ATOM 706 C LEU A 41 -3.649 23.026 4.462 1.00 0.00 C ATOM 707 O LEU A 41 -4.194 24.003 4.973 1.00 0.00 O ATOM 708 CB LEU A 41 -5.362 21.206 4.284 1.00 0.00 C ATOM 709 CG LEU A 41 -6.308 21.931 5.245 1.00 0.00 C ATOM 710 CD1 LEU A 41 -7.728 21.406 5.100 1.00 0.00 C ATOM 711 CD2 LEU A 41 -5.827 21.782 6.681 1.00 0.00 C ATOM 0 H LEU A 41 -3.527 20.316 2.897 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.999 22.717 2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.959 20.637 3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.773 20.487 4.853 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.308 22.991 4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.384 21.935 5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.073 21.567 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.747 20.340 5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.511 22.304 7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.795 20.725 6.946 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.829 22.210 6.777 1.00 0.00 H new ATOM 723 N GLU A 42 -2.375 22.696 4.692 1.00 0.00 N ATOM 724 CA GLU A 42 -1.536 23.482 5.573 1.00 0.00 C ATOM 725 C GLU A 42 -1.333 24.882 5.009 1.00 0.00 C ATOM 726 O GLU A 42 -1.792 25.870 5.582 1.00 0.00 O ATOM 727 CB GLU A 42 -0.183 22.809 5.781 1.00 0.00 C ATOM 728 CG GLU A 42 -0.095 21.998 7.063 1.00 0.00 C ATOM 729 CD GLU A 42 1.148 21.131 7.121 1.00 0.00 C ATOM 730 OE1 GLU A 42 2.203 21.571 6.621 1.00 0.00 O ATOM 731 OE2 GLU A 42 1.064 20.011 7.670 1.00 0.00 O ATOM 0 H GLU A 42 -1.911 21.889 4.276 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.040 23.556 6.536 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.022 22.155 4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.595 23.572 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.102 22.675 7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.979 21.366 7.150 1.00 0.00 H new