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= -7.81! C(o=-7.8!,f=-5.4!) USER MOD Single : A 19 THR OG1 : rot 109:sc= 1.14 USER MOD Single : A 29 HIS : no HD1:sc= -2.37! C(o=-2.4!,f=-3.5!) USER MOD Single : A 34 SER OG : rot -57:sc= 1.13 USER MOD Single : A 35 THR OG1 : rot 61:sc= 1.12 USER MOD Single : A 39 ASN : amide:sc=-0.000515 X(o=-0.00051,f=0) USER MOD ----------------------------------------------------------------- ATOM 215 N GLN A 12 -2.206 -19.383 -2.983 1.00 0.00 N ATOM 216 CA GLN A 12 -1.856 -18.733 -1.725 1.00 0.00 C ATOM 217 C GLN A 12 -0.690 -17.770 -1.901 1.00 0.00 C ATOM 218 O GLN A 12 -0.710 -16.651 -1.387 1.00 0.00 O ATOM 219 CB GLN A 12 -1.493 -19.778 -0.674 1.00 0.00 C ATOM 220 CG GLN A 12 -0.371 -20.709 -1.097 1.00 0.00 C ATOM 221 CD GLN A 12 0.996 -20.199 -0.687 1.00 0.00 C ATOM 222 OE1 GLN A 12 1.215 -19.834 0.469 1.00 0.00 O ATOM 223 NE2 GLN A 12 1.927 -20.169 -1.634 1.00 0.00 N ATOM 0 HA GLN A 12 -2.726 -18.166 -1.395 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.203 -19.269 0.245 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.378 -20.372 -0.445 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.535 -21.693 -0.657 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.398 -20.836 -2.179 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.703 -20.481 -2.579 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.866 -19.834 -1.416 1.00 0.00 H new ATOM 232 N ALA A 13 0.329 -18.222 -2.614 1.00 0.00 N ATOM 233 CA ALA A 13 1.518 -17.410 -2.844 1.00 0.00 C ATOM 234 C ALA A 13 1.187 -16.120 -3.592 1.00 0.00 C ATOM 235 O ALA A 13 1.787 -15.075 -3.331 1.00 0.00 O ATOM 236 CB ALA A 13 2.559 -18.211 -3.612 1.00 0.00 C ATOM 0 H ALA A 13 0.359 -19.146 -3.044 1.00 0.00 H new ATOM 0 HA ALA A 13 1.923 -17.132 -1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.443 -17.595 -3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.836 -19.094 -3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.146 -18.519 -4.572 1.00 0.00 H new ATOM 242 N LEU A 14 0.238 -16.192 -4.520 1.00 0.00 N ATOM 243 CA LEU A 14 -0.150 -15.017 -5.299 1.00 0.00 C ATOM 244 C LEU A 14 -0.937 -14.029 -4.445 1.00 0.00 C ATOM 245 O LEU A 14 -0.726 -12.818 -4.531 1.00 0.00 O ATOM 246 CB LEU A 14 -0.953 -15.422 -6.546 1.00 0.00 C ATOM 247 CG LEU A 14 -2.474 -15.485 -6.377 1.00 0.00 C ATOM 248 CD1 LEU A 14 -3.098 -14.128 -6.664 1.00 0.00 C ATOM 249 CD2 LEU A 14 -3.067 -16.548 -7.290 1.00 0.00 C ATOM 0 H LEU A 14 -0.274 -17.043 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 14 0.763 -14.522 -5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.726 -14.716 -7.345 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.604 -16.400 -6.876 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.696 -15.755 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.179 -14.191 -6.539 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.695 -13.389 -5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.868 -13.831 -7.687 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.148 -16.580 -7.157 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.836 -16.307 -8.327 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.642 -17.520 -7.040 1.00 0.00 H new ATOM 261 N VAL A 15 -1.835 -14.547 -3.616 1.00 0.00 N ATOM 262 CA VAL A 15 -2.634 -13.697 -2.746 1.00 0.00 C ATOM 263 C VAL A 15 -1.768 -13.090 -1.646 1.00 0.00 C ATOM 264 O VAL A 15 -2.067 -12.013 -1.129 1.00 0.00 O ATOM 265 CB VAL A 15 -3.800 -14.475 -2.107 1.00 0.00 C ATOM 266 CG1 VAL A 15 -3.277 -15.652 -1.299 1.00 0.00 C ATOM 267 CG2 VAL A 15 -4.651 -13.558 -1.241 1.00 0.00 C ATOM 0 H VAL A 15 -2.027 -15.545 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.048 -12.901 -3.365 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.431 -14.864 -2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.115 -16.190 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.720 -16.323 -1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.620 -15.288 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.468 -14.129 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.036 -13.133 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.059 -12.754 -1.854 1.00 0.00 H new ATOM 277 N GLY A 16 -0.685 -13.783 -1.302 1.00 0.00 N ATOM 278 CA GLY A 16 0.211 -13.291 -0.277 1.00 0.00 C ATOM 279 C GLY A 16 1.064 -12.148 -0.776 1.00 0.00 C ATOM 280 O GLY A 16 1.079 -11.068 -0.186 1.00 0.00 O ATOM 0 H GLY A 16 -0.415 -14.675 -1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.369 -12.962 0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.854 -14.103 0.063 1.00 0.00 H new ATOM 284 N LEU A 17 1.771 -12.386 -1.875 1.00 0.00 N ATOM 285 CA LEU A 17 2.625 -11.371 -2.464 1.00 0.00 C ATOM 286 C LEU A 17 1.805 -10.175 -2.932 1.00 0.00 C ATOM 287 O LEU A 17 2.132 -9.028 -2.634 1.00 0.00 O ATOM 288 CB LEU A 17 3.402 -11.967 -3.635 1.00 0.00 C ATOM 289 CG LEU A 17 2.551 -12.692 -4.677 1.00 0.00 C ATOM 290 CD1 LEU A 17 2.136 -11.737 -5.785 1.00 0.00 C ATOM 291 CD2 LEU A 17 3.313 -13.880 -5.245 1.00 0.00 C ATOM 0 H LEU A 17 1.767 -13.276 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 17 3.326 -11.025 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.952 -11.167 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.141 -12.666 -3.242 1.00 0.00 H new ATOM 0 HG LEU A 17 1.647 -13.062 -4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.531 -12.271 -6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.554 -10.919 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.025 -11.336 -6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.696 -14.388 -5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.232 -13.531 -5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.558 -14.573 -4.440 1.00 0.00 H new ATOM 303 N ALA A 18 0.740 -10.457 -3.674 1.00 0.00 N ATOM 304 CA ALA A 18 -0.133 -9.412 -4.198 1.00 0.00 C ATOM 305 C ALA A 18 -0.747 -8.574 -3.079 1.00 0.00 C ATOM 306 O ALA A 18 -0.751 -7.345 -3.145 1.00 0.00 O ATOM 307 CB ALA A 18 -1.228 -10.027 -5.056 1.00 0.00 C ATOM 0 H ALA A 18 0.459 -11.404 -3.927 1.00 0.00 H new ATOM 0 HA ALA A 18 0.476 -8.748 -4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.874 -9.238 -5.442 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.778 -10.567 -5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.818 -10.717 -4.453 1.00 0.00 H new ATOM 313 N THR A 19 -1.276 -9.242 -2.058 1.00 0.00 N ATOM 314 CA THR A 19 -1.903 -8.547 -0.935 1.00 0.00 C ATOM 315 C THR A 19 -0.879 -7.750 -0.132 1.00 0.00 C ATOM 316 O THR A 19 -1.081 -6.568 0.142 1.00 0.00 O ATOM 317 CB THR A 19 -2.620 -9.549 -0.025 1.00 0.00 C ATOM 318 OG1 THR A 19 -3.666 -10.199 -0.724 1.00 0.00 O ATOM 319 CG2 THR A 19 -3.223 -8.914 1.210 1.00 0.00 C ATOM 0 H THR A 19 -1.284 -10.259 -1.984 1.00 0.00 H new ATOM 0 HA THR A 19 -2.632 -7.846 -1.341 1.00 0.00 H new ATOM 0 HB THR A 19 -1.851 -10.255 0.288 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.419 -11.133 -0.887 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.715 -9.680 1.810 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.436 -8.443 1.798 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.953 -8.161 0.913 1.00 0.00 H new ATOM 327 N PHE A 20 0.214 -8.402 0.249 1.00 0.00 N ATOM 328 CA PHE A 20 1.264 -7.752 1.030 1.00 0.00 C ATOM 329 C PHE A 20 1.854 -6.559 0.281 1.00 0.00 C ATOM 330 O PHE A 20 2.063 -5.494 0.860 1.00 0.00 O ATOM 331 CB PHE A 20 2.371 -8.754 1.364 1.00 0.00 C ATOM 332 CG PHE A 20 3.435 -8.195 2.264 1.00 0.00 C ATOM 333 CD1 PHE A 20 3.270 -8.197 3.640 1.00 0.00 C ATOM 334 CD2 PHE A 20 4.602 -7.667 1.734 1.00 0.00 C ATOM 335 CE1 PHE A 20 4.248 -7.683 4.470 1.00 0.00 C ATOM 336 CE2 PHE A 20 5.583 -7.152 2.560 1.00 0.00 C ATOM 337 CZ PHE A 20 5.406 -7.160 3.930 1.00 0.00 C ATOM 0 H PHE A 20 0.398 -9.381 0.030 1.00 0.00 H new ATOM 0 HA PHE A 20 0.816 -7.387 1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.927 -9.628 1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.833 -9.095 0.437 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.367 -8.605 4.069 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.746 -7.658 0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.107 -7.690 5.541 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.488 -6.743 2.135 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.172 -6.758 4.577 1.00 0.00 H new ATOM 347 N LEU A 21 2.124 -6.745 -1.004 1.00 0.00 N ATOM 348 CA LEU A 21 2.685 -5.691 -1.827 1.00 0.00 C ATOM 349 C LEU A 21 1.679 -4.555 -2.010 1.00 0.00 C ATOM 350 O LEU A 21 1.975 -3.396 -1.726 1.00 0.00 O ATOM 351 CB LEU A 21 3.102 -6.272 -3.182 1.00 0.00 C ATOM 352 CG LEU A 21 3.292 -5.261 -4.312 1.00 0.00 C ATOM 353 CD1 LEU A 21 1.952 -4.902 -4.935 1.00 0.00 C ATOM 354 CD2 LEU A 21 4.006 -4.016 -3.808 1.00 0.00 C ATOM 0 H LEU A 21 1.961 -7.622 -1.498 1.00 0.00 H new ATOM 0 HA LEU A 21 3.564 -5.279 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.035 -6.819 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.349 -6.997 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 21 3.915 -5.718 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.106 -4.181 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.486 -5.801 -5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.303 -4.466 -4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.130 -3.310 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.415 -3.553 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.985 -4.292 -3.415 1.00 0.00 H new ATOM 366 N PHE A 22 0.490 -4.904 -2.493 1.00 0.00 N ATOM 367 CA PHE A 22 -0.567 -3.926 -2.727 1.00 0.00 C ATOM 368 C PHE A 22 -0.860 -3.097 -1.477 1.00 0.00 C ATOM 369 O PHE A 22 -0.951 -1.871 -1.545 1.00 0.00 O ATOM 370 CB PHE A 22 -1.842 -4.629 -3.192 1.00 0.00 C ATOM 371 CG PHE A 22 -2.953 -3.683 -3.549 1.00 0.00 C ATOM 372 CD1 PHE A 22 -2.841 -2.848 -4.649 1.00 0.00 C ATOM 373 CD2 PHE A 22 -4.108 -3.629 -2.786 1.00 0.00 C ATOM 374 CE1 PHE A 22 -3.862 -1.975 -4.981 1.00 0.00 C ATOM 375 CE2 PHE A 22 -5.131 -2.760 -3.112 1.00 0.00 C ATOM 376 CZ PHE A 22 -5.007 -1.932 -4.212 1.00 0.00 C ATOM 0 H PHE A 22 0.234 -5.862 -2.731 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.219 -3.247 -3.505 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.610 -5.248 -4.059 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.186 -5.299 -2.404 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.947 -2.879 -5.254 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.210 -4.274 -1.926 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.763 -1.328 -5.840 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.026 -2.727 -2.509 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.806 -1.252 -4.469 1.00 0.00 H new ATOM 386 N VAL A 23 -1.023 -3.770 -0.342 1.00 0.00 N ATOM 387 CA VAL A 23 -1.325 -3.093 0.910 1.00 0.00 C ATOM 388 C VAL A 23 -0.184 -2.178 1.345 1.00 0.00 C ATOM 389 O VAL A 23 -0.402 -1.015 1.678 1.00 0.00 O ATOM 390 CB VAL A 23 -1.625 -4.107 2.032 1.00 0.00 C ATOM 391 CG1 VAL A 23 -2.777 -5.017 1.637 1.00 0.00 C ATOM 392 CG2 VAL A 23 -0.392 -4.928 2.375 1.00 0.00 C ATOM 0 H VAL A 23 -0.950 -4.785 -0.266 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.211 -2.483 0.733 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.914 -3.546 2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.973 -5.725 2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.669 -4.417 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.516 -5.562 0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.634 -5.634 3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.062 -5.475 1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.405 -4.265 2.710 1.00 0.00 H new ATOM 402 N LEU A 24 1.031 -2.710 1.341 1.00 0.00 N ATOM 403 CA LEU A 24 2.202 -1.944 1.734 1.00 0.00 C ATOM 404 C LEU A 24 2.367 -0.700 0.865 1.00 0.00 C ATOM 405 O LEU A 24 2.407 0.424 1.367 1.00 0.00 O ATOM 406 CB LEU A 24 3.448 -2.819 1.624 1.00 0.00 C ATOM 407 CG LEU A 24 4.607 -2.394 2.517 1.00 0.00 C ATOM 408 CD1 LEU A 24 5.067 -0.993 2.149 1.00 0.00 C ATOM 409 CD2 LEU A 24 4.194 -2.461 3.978 1.00 0.00 C ATOM 0 H LEU A 24 1.230 -3.673 1.069 1.00 0.00 H new ATOM 0 HA LEU A 24 2.068 -1.621 2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.177 -3.846 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.786 -2.817 0.588 1.00 0.00 H new ATOM 0 HG LEU A 24 5.441 -3.079 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.896 -0.701 2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.394 -0.979 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.242 -0.293 2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.030 -2.155 4.607 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.349 -1.794 4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.906 -3.482 4.228 1.00 0.00 H new ATOM 421 N ALA A 25 2.473 -0.916 -0.440 1.00 0.00 N ATOM 422 CA ALA A 25 2.649 0.175 -1.391 1.00 0.00 C ATOM 423 C ALA A 25 1.511 1.189 -1.308 1.00 0.00 C ATOM 424 O ALA A 25 1.753 2.392 -1.207 1.00 0.00 O ATOM 425 CB ALA A 25 2.762 -0.374 -2.804 1.00 0.00 C ATOM 0 H ALA A 25 2.440 -1.842 -0.866 1.00 0.00 H new ATOM 0 HA ALA A 25 3.572 0.694 -1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.893 0.450 -3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.620 -1.044 -2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.854 -0.923 -3.055 1.00 0.00 H new ATOM 431 N LEU A 26 0.272 0.707 -1.358 1.00 0.00 N ATOM 432 CA LEU A 26 -0.886 1.594 -1.295 1.00 0.00 C ATOM 433 C LEU A 26 -0.918 2.354 0.028 1.00 0.00 C ATOM 434 O LEU A 26 -1.285 3.529 0.069 1.00 0.00 O ATOM 435 CB LEU A 26 -2.186 0.802 -1.501 1.00 0.00 C ATOM 436 CG LEU A 26 -2.804 0.188 -0.242 1.00 0.00 C ATOM 437 CD1 LEU A 26 -3.615 1.226 0.519 1.00 0.00 C ATOM 438 CD2 LEU A 26 -3.678 -1.004 -0.605 1.00 0.00 C ATOM 0 H LEU A 26 0.045 -0.284 -1.441 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.799 2.324 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.922 1.463 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.991 0.001 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.995 -0.157 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.046 0.769 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.966 2.052 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.415 1.602 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.109 -1.428 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.478 -0.679 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.073 -1.759 -1.107 1.00 0.00 H new ATOM 450 N LEU A 27 -0.525 1.682 1.106 1.00 0.00 N ATOM 451 CA LEU A 27 -0.505 2.300 2.427 1.00 0.00 C ATOM 452 C LEU A 27 0.425 3.509 2.440 1.00 0.00 C ATOM 453 O LEU A 27 0.009 4.620 2.769 1.00 0.00 O ATOM 454 CB LEU A 27 -0.055 1.283 3.480 1.00 0.00 C ATOM 455 CG LEU A 27 -1.183 0.576 4.240 1.00 0.00 C ATOM 456 CD1 LEU A 27 -2.350 0.251 3.315 1.00 0.00 C ATOM 457 CD2 LEU A 27 -0.661 -0.683 4.913 1.00 0.00 C ATOM 0 H LEU A 27 -0.216 0.710 1.090 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.515 2.635 2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.559 0.527 2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.583 1.792 4.203 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.549 1.254 5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.135 -0.250 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.743 1.173 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.008 -0.403 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.474 -1.173 5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.263 -1.361 4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.129 -0.419 5.616 1.00 0.00 H new ATOM 468 N ILE A 28 1.682 3.287 2.074 1.00 0.00 N ATOM 469 CA ILE A 28 2.664 4.365 2.040 1.00 0.00 C ATOM 470 C ILE A 28 2.273 5.422 1.012 1.00 0.00 C ATOM 471 O ILE A 28 2.608 6.597 1.154 1.00 0.00 O ATOM 472 CB ILE A 28 4.073 3.834 1.708 1.00 0.00 C ATOM 473 CG1 ILE A 28 4.430 2.661 2.623 1.00 0.00 C ATOM 474 CG2 ILE A 28 5.105 4.946 1.837 1.00 0.00 C ATOM 475 CD1 ILE A 28 4.325 2.990 4.097 1.00 0.00 C ATOM 0 H ILE A 28 2.045 2.375 1.798 1.00 0.00 H new ATOM 0 HA ILE A 28 2.682 4.813 3.033 1.00 0.00 H new ATOM 0 HB ILE A 28 4.076 3.480 0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.771 1.822 2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.447 2.336 2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.094 4.554 1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.859 5.753 1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.102 5.328 2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.592 2.112 4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.004 3.808 4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.303 3.287 4.332 1.00 0.00 H new ATOM 487 N HIS A 29 1.563 4.994 -0.026 1.00 0.00 N ATOM 488 CA HIS A 29 1.124 5.902 -1.080 1.00 0.00 C ATOM 489 C HIS A 29 0.177 6.966 -0.534 1.00 0.00 C ATOM 490 O HIS A 29 0.490 8.153 -0.544 1.00 0.00 O ATOM 491 CB HIS A 29 0.438 5.122 -2.203 1.00 0.00 C ATOM 492 CG HIS A 29 0.619 5.737 -3.555 1.00 0.00 C ATOM 493 ND1 HIS A 29 -0.427 6.241 -4.300 1.00 0.00 N ATOM 494 CD2 HIS A 29 1.734 5.929 -4.299 1.00 0.00 C ATOM 495 CE1 HIS A 29 0.036 6.715 -5.443 1.00 0.00 C ATOM 496 NE2 HIS A 29 1.345 6.539 -5.466 1.00 0.00 N ATOM 0 H HIS A 29 1.279 4.024 -0.160 1.00 0.00 H new ATOM 0 HA HIS A 29 2.007 6.402 -1.478 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.830 4.105 -2.220 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.628 5.049 -1.986 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.742 5.654 -4.025 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.555 7.169 -6.225 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.966 6.812 -6.227 1.00 0.00 H new ATOM 505 N PHE A 30 -0.990 6.533 -0.069 1.00 0.00 N ATOM 506 CA PHE A 30 -1.989 7.453 0.462 1.00 0.00 C ATOM 507 C PHE A 30 -1.471 8.195 1.692 1.00 0.00 C ATOM 508 O PHE A 30 -1.850 9.341 1.934 1.00 0.00 O ATOM 509 CB PHE A 30 -3.285 6.696 0.793 1.00 0.00 C ATOM 510 CG PHE A 30 -3.366 6.194 2.210 1.00 0.00 C ATOM 511 CD1 PHE A 30 -2.684 5.053 2.596 1.00 0.00 C ATOM 512 CD2 PHE A 30 -4.127 6.866 3.154 1.00 0.00 C ATOM 513 CE1 PHE A 30 -2.757 4.590 3.896 1.00 0.00 C ATOM 514 CE2 PHE A 30 -4.206 6.408 4.455 1.00 0.00 C ATOM 515 CZ PHE A 30 -3.520 5.269 4.827 1.00 0.00 C ATOM 0 H PHE A 30 -1.267 5.552 -0.049 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.201 8.198 -0.305 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.134 7.353 0.604 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.380 5.849 0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.087 4.518 1.872 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.665 7.758 2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.219 3.699 4.184 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.804 6.940 5.180 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.580 4.909 5.844 1.00 0.00 H new ATOM 525 N ILE A 31 -0.609 7.546 2.469 1.00 0.00 N ATOM 526 CA ILE A 31 -0.062 8.174 3.664 1.00 0.00 C ATOM 527 C ILE A 31 0.896 9.308 3.295 1.00 0.00 C ATOM 528 O ILE A 31 0.757 10.427 3.785 1.00 0.00 O ATOM 529 CB ILE A 31 0.639 7.144 4.588 1.00 0.00 C ATOM 530 CG1 ILE A 31 0.353 7.473 6.054 1.00 0.00 C ATOM 531 CG2 ILE A 31 2.142 7.092 4.340 1.00 0.00 C ATOM 532 CD1 ILE A 31 -1.012 7.018 6.520 1.00 0.00 C ATOM 0 H ILE A 31 -0.278 6.597 2.295 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.900 8.596 4.219 1.00 0.00 H new ATOM 0 HB ILE A 31 0.234 6.159 4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.115 7.006 6.678 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.437 8.550 6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.596 6.359 5.007 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.330 6.807 3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.576 8.073 4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.146 7.284 7.568 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.782 7.504 5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.093 5.937 6.407 1.00 0.00 H new ATOM 544 N LEU A 32 1.863 9.016 2.426 1.00 0.00 N ATOM 545 CA LEU A 32 2.827 10.024 2.000 1.00 0.00 C ATOM 546 C LEU A 32 2.117 11.133 1.237 1.00 0.00 C ATOM 547 O LEU A 32 2.400 12.315 1.432 1.00 0.00 O ATOM 548 CB LEU A 32 3.932 9.393 1.142 1.00 0.00 C ATOM 549 CG LEU A 32 3.564 9.116 -0.318 1.00 0.00 C ATOM 550 CD1 LEU A 32 3.752 10.367 -1.165 1.00 0.00 C ATOM 551 CD2 LEU A 32 4.398 7.968 -0.867 1.00 0.00 C ATOM 0 H LEU A 32 1.998 8.096 2.007 1.00 0.00 H new ATOM 0 HA LEU A 32 3.296 10.454 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.800 10.051 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.234 8.454 1.605 1.00 0.00 H new ATOM 0 HG LEU A 32 2.513 8.830 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.485 10.150 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.112 11.163 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.794 10.685 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.124 7.784 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.455 8.227 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.213 7.070 -0.278 1.00 0.00 H new ATOM 563 N LEU A 33 1.176 10.742 0.385 1.00 0.00 N ATOM 564 CA LEU A 33 0.401 11.701 -0.389 1.00 0.00 C ATOM 565 C LEU A 33 -0.358 12.620 0.552 1.00 0.00 C ATOM 566 O LEU A 33 -0.170 13.837 0.542 1.00 0.00 O ATOM 567 CB LEU A 33 -0.569 10.968 -1.314 1.00 0.00 C ATOM 568 CG LEU A 33 0.103 10.114 -2.384 1.00 0.00 C ATOM 569 CD1 LEU A 33 -0.791 8.948 -2.785 1.00 0.00 C ATOM 570 CD2 LEU A 33 0.458 10.961 -3.597 1.00 0.00 C ATOM 0 H LEU A 33 0.932 9.766 0.214 1.00 0.00 H new ATOM 0 HA LEU A 33 1.076 12.299 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.215 10.330 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.211 11.702 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 33 1.024 9.707 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.291 8.353 -3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.990 8.326 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.732 9.330 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.937 10.335 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.449 11.400 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.141 11.756 -3.298 1.00 0.00 H new ATOM 582 N SER A 34 -1.202 12.021 1.383 1.00 0.00 N ATOM 583 CA SER A 34 -1.976 12.772 2.355 1.00 0.00 C ATOM 584 C SER A 34 -1.046 13.518 3.305 1.00 0.00 C ATOM 585 O SER A 34 -1.401 14.569 3.837 1.00 0.00 O ATOM 586 CB SER A 34 -2.892 11.837 3.146 1.00 0.00 C ATOM 587 OG SER A 34 -4.011 12.534 3.664 1.00 0.00 O ATOM 0 H SER A 34 -1.366 11.014 1.401 1.00 0.00 H new ATOM 0 HA SER A 34 -2.592 13.496 1.822 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.232 11.026 2.502 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.333 11.382 3.964 1.00 0.00 H new ATOM 0 HG SER A 34 -3.703 13.277 4.224 1.00 0.00 H new ATOM 593 N THR A 35 0.154 12.971 3.509 1.00 0.00 N ATOM 594 CA THR A 35 1.131 13.599 4.393 1.00 0.00 C ATOM 595 C THR A 35 1.595 14.934 3.816 1.00 0.00 C ATOM 596 O THR A 35 1.549 15.967 4.489 1.00 0.00 O ATOM 597 CB THR A 35 2.328 12.668 4.619 1.00 0.00 C ATOM 598 OG1 THR A 35 1.983 11.616 5.502 1.00 0.00 O ATOM 599 CG2 THR A 35 3.544 13.363 5.199 1.00 0.00 C ATOM 0 H THR A 35 0.468 12.102 3.077 1.00 0.00 H new ATOM 0 HA THR A 35 0.653 13.786 5.355 1.00 0.00 H new ATOM 0 HB THR A 35 2.585 12.295 3.627 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.250 11.092 5.116 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.349 12.639 5.330 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.871 14.151 4.520 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.288 13.799 6.164 1.00 0.00 H new ATOM 607 N GLU A 36 2.040 14.906 2.563 1.00 0.00 N ATOM 608 CA GLU A 36 2.510 16.111 1.893 1.00 0.00 C ATOM 609 C GLU A 36 1.384 17.130 1.769 1.00 0.00 C ATOM 610 O GLU A 36 1.572 18.314 2.044 1.00 0.00 O ATOM 611 CB GLU A 36 3.061 15.770 0.507 1.00 0.00 C ATOM 612 CG GLU A 36 4.267 16.605 0.109 1.00 0.00 C ATOM 613 CD GLU A 36 4.930 16.103 -1.158 1.00 0.00 C ATOM 614 OE1 GLU A 36 4.231 15.984 -2.187 1.00 0.00 O ATOM 615 OE2 GLU A 36 6.147 15.829 -1.123 1.00 0.00 O ATOM 0 H GLU A 36 2.084 14.062 1.993 1.00 0.00 H new ATOM 0 HA GLU A 36 3.309 16.545 2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.336 14.716 0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.273 15.910 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.957 17.640 -0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.993 16.599 0.922 1.00 0.00 H new ATOM 622 N ARG A 37 0.210 16.660 1.362 1.00 0.00 N ATOM 623 CA ARG A 37 -0.949 17.530 1.212 1.00 0.00 C ATOM 624 C ARG A 37 -1.372 18.094 2.564 1.00 0.00 C ATOM 625 O ARG A 37 -1.797 19.246 2.665 1.00 0.00 O ATOM 626 CB ARG A 37 -2.110 16.762 0.575 1.00 0.00 C ATOM 627 CG ARG A 37 -2.211 16.951 -0.930 1.00 0.00 C ATOM 628 CD ARG A 37 -2.338 18.421 -1.299 1.00 0.00 C ATOM 629 NE ARG A 37 -2.852 18.602 -2.655 1.00 0.00 N ATOM 630 CZ ARG A 37 -2.148 18.343 -3.755 1.00 0.00 C ATOM 631 NH1 ARG A 37 -0.903 17.891 -3.665 1.00 0.00 N ATOM 632 NH2 ARG A 37 -2.690 18.535 -4.950 1.00 0.00 N ATOM 0 H ARG A 37 0.037 15.682 1.130 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.676 18.359 0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.995 15.700 0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.044 17.083 1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.329 16.529 -1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.074 16.403 -1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.002 18.917 -0.590 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.364 18.902 -1.213 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.806 18.947 -2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.480 17.740 -2.749 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.369 17.695 -4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.646 18.881 -5.027 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.150 18.337 -5.793 1.00 0.00 H new ATOM 646 N PHE A 38 -1.242 17.273 3.602 1.00 0.00 N ATOM 647 CA PHE A 38 -1.602 17.690 4.951 1.00 0.00 C ATOM 648 C PHE A 38 -0.750 18.875 5.385 1.00 0.00 C ATOM 649 O PHE A 38 -1.258 19.978 5.564 1.00 0.00 O ATOM 650 CB PHE A 38 -1.428 16.531 5.935 1.00 0.00 C ATOM 651 CG PHE A 38 -2.706 15.797 6.231 1.00 0.00 C ATOM 652 CD1 PHE A 38 -3.587 15.472 5.211 1.00 0.00 C ATOM 653 CD2 PHE A 38 -3.026 15.434 7.529 1.00 0.00 C ATOM 654 CE1 PHE A 38 -4.763 14.799 5.481 1.00 0.00 C ATOM 655 CE2 PHE A 38 -4.200 14.760 7.804 1.00 0.00 C ATOM 656 CZ PHE A 38 -5.070 14.442 6.780 1.00 0.00 C ATOM 0 H PHE A 38 -0.891 16.318 3.534 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.649 17.992 4.948 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.700 15.828 5.530 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.015 16.916 6.868 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.351 15.748 4.194 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.350 15.681 8.335 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.441 14.552 4.678 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.437 14.482 8.820 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.988 13.915 6.994 1.00 0.00 H new ATOM 666 N ASN A 39 0.549 18.645 5.543 1.00 0.00 N ATOM 667 CA ASN A 39 1.466 19.705 5.951 1.00 0.00 C ATOM 668 C ASN A 39 1.461 20.859 4.943 1.00 0.00 C ATOM 669 O ASN A 39 1.870 21.978 5.261 1.00 0.00 O ATOM 670 CB ASN A 39 2.884 19.149 6.092 1.00 0.00 C ATOM 671 CG ASN A 39 3.076 18.377 7.383 1.00 0.00 C ATOM 672 OD1 ASN A 39 3.630 18.895 8.353 1.00 0.00 O ATOM 673 ND2 ASN A 39 2.619 17.131 7.401 1.00 0.00 N ATOM 0 H ASN A 39 0.990 17.737 5.396 1.00 0.00 H new ATOM 0 HA ASN A 39 1.129 20.088 6.914 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.102 18.497 5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.599 19.971 6.053 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.721 16.563 8.242 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.166 16.742 6.574 1.00 0.00 H new ATOM 680 N TRP A 40 0.979 20.577 3.735 1.00 0.00 N ATOM 681 CA TRP A 40 0.904 21.580 2.676 1.00 0.00 C ATOM 682 C TRP A 40 -0.125 22.631 3.037 1.00 0.00 C ATOM 683 O TRP A 40 0.220 23.737 3.449 1.00 0.00 O ATOM 684 CB TRP A 40 0.553 20.928 1.334 1.00 0.00 C ATOM 685 CG TRP A 40 0.373 21.914 0.219 1.00 0.00 C ATOM 686 CD1 TRP A 40 -0.810 22.347 -0.308 1.00 0.00 C ATOM 687 CD2 TRP A 40 1.408 22.590 -0.505 1.00 0.00 C ATOM 688 NE1 TRP A 40 -0.572 23.251 -1.317 1.00 0.00 N ATOM 689 CE2 TRP A 40 0.781 23.417 -1.455 1.00 0.00 C ATOM 690 CE3 TRP A 40 2.804 22.578 -0.440 1.00 0.00 C ATOM 691 CZ2 TRP A 40 1.501 24.222 -2.334 1.00 0.00 C ATOM 692 CZ3 TRP A 40 3.519 23.376 -1.312 1.00 0.00 C ATOM 693 CH2 TRP A 40 2.867 24.189 -2.248 1.00 0.00 C ATOM 0 H TRP A 40 0.633 19.657 3.464 1.00 0.00 H new ATOM 0 HA TRP A 40 1.879 22.056 2.576 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.341 20.225 1.063 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.364 20.350 1.449 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -1.788 22.027 0.019 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.287 23.721 -1.872 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.315 21.956 0.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 1.000 24.849 -3.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.598 23.373 -1.271 1.00 0.00 H new ATOM 0 HH2 TRP A 40 3.454 24.802 -2.916 1.00 0.00 H new ATOM 704 N LEU A 41 -1.397 22.267 2.914 1.00 0.00 N ATOM 705 CA LEU A 41 -2.467 23.181 3.270 1.00 0.00 C ATOM 706 C LEU A 41 -2.383 23.493 4.762 1.00 0.00 C ATOM 707 O LEU A 41 -2.987 24.452 5.244 1.00 0.00 O ATOM 708 CB LEU A 41 -3.838 22.594 2.891 1.00 0.00 C ATOM 709 CG LEU A 41 -4.568 21.796 3.981 1.00 0.00 C ATOM 710 CD1 LEU A 41 -3.629 20.815 4.662 1.00 0.00 C ATOM 711 CD2 LEU A 41 -5.201 22.734 5.001 1.00 0.00 C ATOM 0 H LEU A 41 -1.706 21.356 2.574 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.353 24.110 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.485 23.413 2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.704 21.945 2.026 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.362 21.222 3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.173 20.264 5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.235 20.117 3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.805 21.360 5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.713 22.149 5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.425 23.340 5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.918 23.385 4.501 1.00 0.00 H new ATOM 723 N GLU A 42 -1.612 22.676 5.487 1.00 0.00 N ATOM 724 CA GLU A 42 -1.433 22.867 6.914 1.00 0.00 C ATOM 725 C GLU A 42 -0.751 24.202 7.187 1.00 0.00 C ATOM 726 O GLU A 42 -1.326 25.091 7.816 1.00 0.00 O ATOM 727 CB GLU A 42 -0.601 21.737 7.519 1.00 0.00 C ATOM 728 CG GLU A 42 -0.272 21.937 8.990 1.00 0.00 C ATOM 729 CD GLU A 42 -0.384 20.657 9.794 1.00 0.00 C ATOM 730 OE1 GLU A 42 0.234 19.649 9.393 1.00 0.00 O ATOM 731 OE2 GLU A 42 -1.093 20.662 10.823 1.00 0.00 O ATOM 0 H GLU A 42 -1.106 21.879 5.101 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.419 22.861 7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.141 20.798 7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.329 21.642 6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.740 22.331 9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.944 22.685 9.410 1.00 0.00 H new