USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 386 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 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0453 K(o=-0.045,f=-2.1!) USER MOD Single : A 19 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.54) USER MOD Single : A 22 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00659) USER MOD Single : A 26 GLN : amide:sc= -0.0707 X(o=-0.071,f=-0.071) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.237 USER MOD Single : A 34 GLN : amide:sc= -0.5 X(o=-0.5,f=-0.57) USER MOD Single : A 37 GLN : amide:sc= -0.885 K(o=-0.89,f=0) USER MOD Single : A 38 SER OG : rot 60:sc= 0.0998 USER MOD Single : A 41 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.43) USER MOD Single : A 46 ASN : amide:sc=-0.00406 X(o=-0.0041,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.013) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.15) USER MOD Single : A 56 ASN : amide:sc= -0.0142 K(o=-0.014,f=-1.2) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 182 N PHE A 13 9.097 -0.678 -6.670 1.00 0.00 N ATOM 183 CA PHE A 13 8.694 0.510 -5.961 1.00 0.00 C ATOM 184 C PHE A 13 9.945 1.338 -5.841 1.00 0.00 C ATOM 185 O PHE A 13 11.038 0.870 -6.157 1.00 0.00 O ATOM 186 CB PHE A 13 8.159 0.252 -4.520 1.00 0.00 C ATOM 187 CG PHE A 13 6.844 -0.501 -4.483 1.00 0.00 C ATOM 188 CD1 PHE A 13 6.698 -1.813 -4.983 1.00 0.00 C ATOM 189 CD2 PHE A 13 5.722 0.107 -3.891 1.00 0.00 C ATOM 190 CE1 PHE A 13 5.453 -2.459 -4.961 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.485 -0.542 -3.853 1.00 0.00 C ATOM 192 CZ PHE A 13 4.341 -1.813 -4.410 1.00 0.00 C ATOM 0 HA PHE A 13 7.876 0.979 -6.507 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.906 -0.311 -3.960 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.034 1.208 -4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.557 -2.327 -5.388 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.818 1.092 -3.459 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.353 -3.454 -5.369 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.637 -0.058 -3.391 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.375 -2.296 -4.416 1.00 0.00 H new ATOM 202 N THR A 14 9.808 2.599 -5.366 1.00 0.00 N ATOM 203 CA THR A 14 10.936 3.433 -5.017 1.00 0.00 C ATOM 204 C THR A 14 10.834 3.639 -3.533 1.00 0.00 C ATOM 205 O THR A 14 9.911 3.147 -2.892 1.00 0.00 O ATOM 206 CB THR A 14 11.007 4.761 -5.763 1.00 0.00 C ATOM 207 OG1 THR A 14 9.781 5.483 -5.699 1.00 0.00 O ATOM 208 CG2 THR A 14 11.360 4.468 -7.236 1.00 0.00 C ATOM 0 H THR A 14 8.904 3.048 -5.221 1.00 0.00 H new ATOM 0 HA THR A 14 11.860 2.936 -5.314 1.00 0.00 H new ATOM 0 HB THR A 14 11.768 5.382 -5.291 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.873 6.327 -6.188 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.416 5.405 -7.790 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.323 3.959 -7.285 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.591 3.833 -7.675 1.00 0.00 H new ATOM 216 N ALA A 15 11.802 4.386 -2.952 1.00 0.00 N ATOM 217 CA ALA A 15 11.888 4.655 -1.536 1.00 0.00 C ATOM 218 C ALA A 15 10.795 5.586 -1.091 1.00 0.00 C ATOM 219 O ALA A 15 10.399 5.575 0.072 1.00 0.00 O ATOM 220 CB ALA A 15 13.228 5.322 -1.176 1.00 0.00 C ATOM 0 H ALA A 15 12.554 4.820 -3.487 1.00 0.00 H new ATOM 0 HA ALA A 15 11.795 3.692 -1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.263 5.512 -0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.049 4.662 -1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.321 6.265 -1.715 1.00 0.00 H new ATOM 226 N GLU A 16 10.272 6.401 -2.039 1.00 0.00 N ATOM 227 CA GLU A 16 9.206 7.344 -1.844 1.00 0.00 C ATOM 228 C GLU A 16 7.904 6.640 -1.595 1.00 0.00 C ATOM 229 O GLU A 16 7.065 7.111 -0.828 1.00 0.00 O ATOM 230 CB GLU A 16 9.005 8.200 -3.115 1.00 0.00 C ATOM 231 CG GLU A 16 10.256 8.998 -3.522 1.00 0.00 C ATOM 232 CD GLU A 16 9.982 9.736 -4.832 1.00 0.00 C ATOM 233 OE1 GLU A 16 9.787 9.047 -5.870 1.00 0.00 O ATOM 234 OE2 GLU A 16 9.966 10.996 -4.814 1.00 0.00 O ATOM 0 H GLU A 16 10.617 6.398 -2.999 1.00 0.00 H new ATOM 0 HA GLU A 16 9.482 7.961 -0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.715 7.549 -3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.180 8.893 -2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.518 9.709 -2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.107 8.327 -3.641 1.00 0.00 H new ATOM 241 N GLN A 17 7.722 5.482 -2.267 1.00 0.00 N ATOM 242 CA GLN A 17 6.475 4.766 -2.299 1.00 0.00 C ATOM 243 C GLN A 17 6.397 3.867 -1.100 1.00 0.00 C ATOM 244 O GLN A 17 5.399 3.879 -0.382 1.00 0.00 O ATOM 245 CB GLN A 17 6.291 3.967 -3.604 1.00 0.00 C ATOM 246 CG GLN A 17 6.314 4.885 -4.839 1.00 0.00 C ATOM 247 CD GLN A 17 5.983 4.079 -6.098 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.697 3.132 -6.441 1.00 0.00 O ATOM 249 NE2 GLN A 17 4.878 4.472 -6.800 1.00 0.00 N ATOM 0 H GLN A 17 8.463 5.031 -2.803 1.00 0.00 H new ATOM 0 HA GLN A 17 5.661 5.491 -2.269 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.082 3.222 -3.689 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.345 3.426 -3.570 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.593 5.693 -4.715 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.296 5.347 -4.941 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.321 5.262 -6.474 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.611 3.976 -7.650 1.00 0.00 H new ATOM 258 N LEU A 18 7.485 3.101 -0.836 1.00 0.00 N ATOM 259 CA LEU A 18 7.610 2.156 0.247 1.00 0.00 C ATOM 260 C LEU A 18 7.396 2.794 1.594 1.00 0.00 C ATOM 261 O LEU A 18 6.693 2.230 2.427 1.00 0.00 O ATOM 262 CB LEU A 18 9.018 1.512 0.267 1.00 0.00 C ATOM 263 CG LEU A 18 9.321 0.581 -0.931 1.00 0.00 C ATOM 264 CD1 LEU A 18 10.820 0.231 -0.995 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.455 -0.690 -0.930 1.00 0.00 C ATOM 0 H LEU A 18 8.325 3.145 -1.413 1.00 0.00 H new ATOM 0 HA LEU A 18 6.840 1.406 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.765 2.305 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.129 0.942 1.189 1.00 0.00 H new ATOM 0 HG LEU A 18 9.058 1.136 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.005 -0.424 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.403 1.145 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.115 -0.276 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.711 -1.305 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.638 -1.254 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.402 -0.413 -0.981 1.00 0.00 H new ATOM 277 N GLN A 19 7.986 3.999 1.809 1.00 0.00 N ATOM 278 CA GLN A 19 8.011 4.738 3.056 1.00 0.00 C ATOM 279 C GLN A 19 6.640 4.971 3.622 1.00 0.00 C ATOM 280 O GLN A 19 6.371 4.672 4.784 1.00 0.00 O ATOM 281 CB GLN A 19 8.727 6.100 2.852 1.00 0.00 C ATOM 282 CG GLN A 19 8.856 7.018 4.089 1.00 0.00 C ATOM 283 CD GLN A 19 7.607 7.881 4.338 1.00 0.00 C ATOM 284 OE1 GLN A 19 6.975 7.779 5.396 1.00 0.00 O ATOM 285 NE2 GLN A 19 7.264 8.750 3.338 1.00 0.00 N ATOM 0 H GLN A 19 8.478 4.490 1.063 1.00 0.00 H new ATOM 0 HA GLN A 19 8.559 4.127 3.774 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.729 5.902 2.471 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.194 6.650 2.076 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.047 6.405 4.970 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.720 7.670 3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.822 8.792 2.485 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.450 9.356 3.445 1.00 0.00 H new ATOM 294 N ARG A 20 5.750 5.523 2.778 1.00 0.00 N ATOM 295 CA ARG A 20 4.432 5.960 3.163 1.00 0.00 C ATOM 296 C ARG A 20 3.488 4.798 3.330 1.00 0.00 C ATOM 297 O ARG A 20 2.542 4.876 4.109 1.00 0.00 O ATOM 298 CB ARG A 20 3.850 6.932 2.121 1.00 0.00 C ATOM 299 CG ARG A 20 2.692 7.794 2.661 1.00 0.00 C ATOM 300 CD ARG A 20 2.235 8.913 1.712 1.00 0.00 C ATOM 301 NE ARG A 20 3.394 9.829 1.449 1.00 0.00 N ATOM 302 CZ ARG A 20 3.412 10.732 0.421 1.00 0.00 C ATOM 303 NH1 ARG A 20 2.341 10.882 -0.408 1.00 0.00 N ATOM 304 NH2 ARG A 20 4.527 11.498 0.224 1.00 0.00 N ATOM 0 H ARG A 20 5.950 5.673 1.789 1.00 0.00 H new ATOM 0 HA ARG A 20 4.536 6.469 4.121 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.644 7.588 1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.497 6.362 1.262 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.842 7.146 2.874 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.998 8.240 3.607 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.870 8.489 0.777 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.408 9.468 2.154 1.00 0.00 H new ATOM 0 HE ARG A 20 4.206 9.776 2.065 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.505 10.315 -0.268 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.376 11.561 -1.168 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.333 11.393 0.840 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.553 12.175 -0.539 1.00 0.00 H new ATOM 318 N LEU A 21 3.744 3.672 2.620 1.00 0.00 N ATOM 319 CA LEU A 21 2.960 2.463 2.750 1.00 0.00 C ATOM 320 C LEU A 21 3.234 1.764 4.050 1.00 0.00 C ATOM 321 O LEU A 21 2.395 0.992 4.504 1.00 0.00 O ATOM 322 CB LEU A 21 3.266 1.423 1.656 1.00 0.00 C ATOM 323 CG LEU A 21 2.879 1.877 0.241 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.593 1.032 -0.825 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.353 1.895 0.019 1.00 0.00 C ATOM 0 H LEU A 21 4.506 3.597 1.946 1.00 0.00 H new ATOM 0 HA LEU A 21 1.927 2.804 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.331 1.193 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.736 0.499 1.888 1.00 0.00 H new ATOM 0 HG LEU A 21 3.216 2.908 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.301 1.375 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.672 1.135 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.314 -0.015 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.137 2.223 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.952 0.893 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.890 2.581 0.728 1.00 0.00 H new ATOM 337 N LYS A 22 4.404 2.024 4.687 1.00 0.00 N ATOM 338 CA LYS A 22 4.739 1.448 5.976 1.00 0.00 C ATOM 339 C LYS A 22 3.969 2.143 7.070 1.00 0.00 C ATOM 340 O LYS A 22 3.754 1.571 8.138 1.00 0.00 O ATOM 341 CB LYS A 22 6.241 1.534 6.356 1.00 0.00 C ATOM 342 CG LYS A 22 7.227 0.770 5.457 1.00 0.00 C ATOM 343 CD LYS A 22 6.891 -0.713 5.237 1.00 0.00 C ATOM 344 CE LYS A 22 6.912 -1.603 6.489 1.00 0.00 C ATOM 345 NZ LYS A 22 8.262 -1.644 7.099 1.00 0.00 N ATOM 0 H LYS A 22 5.125 2.638 4.308 1.00 0.00 H new ATOM 0 HA LYS A 22 4.478 0.394 5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.531 2.585 6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.355 1.166 7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.269 1.265 4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.223 0.840 5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.900 -0.777 4.787 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.597 -1.121 4.514 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.193 -1.227 7.217 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.599 -2.613 6.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.252 -2.280 7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.948 -1.994 6.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.535 -0.688 7.403 1.00 0.00 H new ATOM 359 N ALA A 23 3.509 3.390 6.809 1.00 0.00 N ATOM 360 CA ALA A 23 2.666 4.145 7.709 1.00 0.00 C ATOM 361 C ALA A 23 1.239 3.678 7.565 1.00 0.00 C ATOM 362 O ALA A 23 0.477 3.688 8.529 1.00 0.00 O ATOM 363 CB ALA A 23 2.711 5.659 7.430 1.00 0.00 C ATOM 0 H ALA A 23 3.729 3.890 5.947 1.00 0.00 H new ATOM 0 HA ALA A 23 3.041 3.975 8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.061 6.178 8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.733 6.020 7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.372 5.852 6.412 1.00 0.00 H new ATOM 369 N GLU A 24 0.867 3.228 6.340 1.00 0.00 N ATOM 370 CA GLU A 24 -0.432 2.676 6.033 1.00 0.00 C ATOM 371 C GLU A 24 -0.472 1.206 6.373 1.00 0.00 C ATOM 372 O GLU A 24 -1.521 0.585 6.256 1.00 0.00 O ATOM 373 CB GLU A 24 -0.802 2.815 4.534 1.00 0.00 C ATOM 374 CG GLU A 24 -0.918 4.269 4.040 1.00 0.00 C ATOM 375 CD GLU A 24 -2.130 4.948 4.677 1.00 0.00 C ATOM 376 OE1 GLU A 24 -3.276 4.519 4.374 1.00 0.00 O ATOM 377 OE2 GLU A 24 -1.926 5.904 5.472 1.00 0.00 O ATOM 0 H GLU A 24 1.493 3.249 5.535 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.147 3.242 6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.049 2.300 3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.750 2.307 4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.011 4.819 4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.012 4.285 2.954 1.00 0.00 H new ATOM 384 N PHE A 25 0.661 0.602 6.803 1.00 0.00 N ATOM 385 CA PHE A 25 0.708 -0.765 7.262 1.00 0.00 C ATOM 386 C PHE A 25 0.514 -0.747 8.755 1.00 0.00 C ATOM 387 O PHE A 25 -0.114 -1.642 9.318 1.00 0.00 O ATOM 388 CB PHE A 25 2.046 -1.471 6.893 1.00 0.00 C ATOM 389 CG PHE A 25 2.070 -2.929 7.297 1.00 0.00 C ATOM 390 CD1 PHE A 25 1.008 -3.789 6.958 1.00 0.00 C ATOM 391 CD2 PHE A 25 3.139 -3.441 8.054 1.00 0.00 C ATOM 392 CE1 PHE A 25 0.975 -5.104 7.432 1.00 0.00 C ATOM 393 CE2 PHE A 25 3.119 -4.767 8.509 1.00 0.00 C ATOM 394 CZ PHE A 25 2.019 -5.587 8.228 1.00 0.00 C ATOM 0 H PHE A 25 1.565 1.073 6.833 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.079 -1.336 6.770 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.208 -1.394 5.818 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.872 -0.951 7.378 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.210 -3.429 6.325 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.982 -2.808 8.287 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.143 -5.747 7.184 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.952 -5.156 9.076 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.977 -6.590 8.625 1.00 0.00 H new ATOM 404 N GLN A 26 1.062 0.291 9.427 1.00 0.00 N ATOM 405 CA GLN A 26 1.071 0.409 10.861 1.00 0.00 C ATOM 406 C GLN A 26 -0.300 0.778 11.360 1.00 0.00 C ATOM 407 O GLN A 26 -0.911 0.028 12.120 1.00 0.00 O ATOM 408 CB GLN A 26 2.103 1.471 11.320 1.00 0.00 C ATOM 409 CG GLN A 26 2.226 1.663 12.843 1.00 0.00 C ATOM 410 CD GLN A 26 2.664 0.351 13.508 1.00 0.00 C ATOM 411 OE1 GLN A 26 3.760 -0.153 13.238 1.00 0.00 O ATOM 412 NE2 GLN A 26 1.782 -0.203 14.395 1.00 0.00 N ATOM 0 H GLN A 26 1.514 1.075 8.956 1.00 0.00 H new ATOM 0 HA GLN A 26 1.357 -0.555 11.281 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.081 1.195 10.926 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.837 2.428 10.871 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.949 2.449 13.061 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.270 1.987 13.255 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.890 0.255 14.581 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.016 -1.075 14.870 1.00 0.00 H new ATOM 421 N THR A 27 -0.804 1.958 10.935 1.00 0.00 N ATOM 422 CA THR A 27 -2.016 2.542 11.453 1.00 0.00 C ATOM 423 C THR A 27 -3.182 2.028 10.661 1.00 0.00 C ATOM 424 O THR A 27 -4.088 1.392 11.197 1.00 0.00 O ATOM 425 CB THR A 27 -1.972 4.064 11.407 1.00 0.00 C ATOM 426 OG1 THR A 27 -0.828 4.531 12.111 1.00 0.00 O ATOM 427 CG2 THR A 27 -3.239 4.667 12.053 1.00 0.00 C ATOM 0 H THR A 27 -0.358 2.523 10.212 1.00 0.00 H new ATOM 0 HA THR A 27 -2.121 2.255 12.499 1.00 0.00 H new ATOM 0 HB THR A 27 -1.923 4.374 10.363 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.801 5.510 12.078 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.187 5.755 12.010 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.121 4.324 11.513 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.304 4.348 13.093 1.00 0.00 H new ATOM 435 N ASN A 28 -3.168 2.333 9.352 1.00 0.00 N ATOM 436 CA ASN A 28 -4.299 2.233 8.468 1.00 0.00 C ATOM 437 C ASN A 28 -4.198 0.976 7.649 1.00 0.00 C ATOM 438 O ASN A 28 -4.270 1.019 6.420 1.00 0.00 O ATOM 439 CB ASN A 28 -4.293 3.446 7.509 1.00 0.00 C ATOM 440 CG ASN A 28 -4.488 4.758 8.285 1.00 0.00 C ATOM 441 OD1 ASN A 28 -3.568 5.580 8.369 1.00 0.00 O ATOM 442 ND2 ASN A 28 -5.721 4.943 8.848 1.00 0.00 N ATOM 0 H ASN A 28 -2.327 2.667 8.881 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.216 2.214 9.057 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.350 3.478 6.963 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.086 3.334 6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.920 5.796 9.371 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.441 4.228 8.745 1.00 0.00 H new ATOM 449 N ARG A 29 -4.038 -0.188 8.327 1.00 0.00 N ATOM 450 CA ARG A 29 -3.744 -1.465 7.717 1.00 0.00 C ATOM 451 C ARG A 29 -4.906 -1.996 6.933 1.00 0.00 C ATOM 452 O ARG A 29 -4.717 -2.648 5.907 1.00 0.00 O ATOM 453 CB ARG A 29 -3.416 -2.540 8.778 1.00 0.00 C ATOM 454 CG ARG A 29 -2.622 -3.727 8.210 1.00 0.00 C ATOM 455 CD ARG A 29 -2.175 -4.758 9.256 1.00 0.00 C ATOM 456 NE ARG A 29 -3.382 -5.429 9.842 1.00 0.00 N ATOM 457 CZ ARG A 29 -3.282 -6.502 10.685 1.00 0.00 C ATOM 458 NH1 ARG A 29 -2.063 -6.974 11.079 1.00 0.00 N ATOM 459 NH2 ARG A 29 -4.416 -7.109 11.139 1.00 0.00 N ATOM 0 H ARG A 29 -4.117 -0.242 9.343 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.890 -1.280 7.065 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.845 -2.082 9.586 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.345 -2.907 9.213 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.233 -4.231 7.461 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.740 -3.344 7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.521 -5.499 8.796 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.600 -4.269 10.042 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.308 -5.074 9.604 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.210 -6.526 10.744 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.005 -7.775 11.708 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.331 -6.762 10.850 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.349 -7.909 11.768 1.00 0.00 H new ATOM 473 N TYR A 30 -6.132 -1.741 7.448 1.00 0.00 N ATOM 474 CA TYR A 30 -7.359 -2.355 7.026 1.00 0.00 C ATOM 475 C TYR A 30 -7.842 -1.687 5.774 1.00 0.00 C ATOM 476 O TYR A 30 -8.632 -0.744 5.794 1.00 0.00 O ATOM 477 CB TYR A 30 -8.438 -2.260 8.129 1.00 0.00 C ATOM 478 CG TYR A 30 -7.911 -2.914 9.382 1.00 0.00 C ATOM 479 CD1 TYR A 30 -7.808 -4.314 9.465 1.00 0.00 C ATOM 480 CD2 TYR A 30 -7.454 -2.135 10.460 1.00 0.00 C ATOM 481 CE1 TYR A 30 -7.254 -4.923 10.598 1.00 0.00 C ATOM 482 CE2 TYR A 30 -6.898 -2.740 11.593 1.00 0.00 C ATOM 483 CZ TYR A 30 -6.796 -4.136 11.663 1.00 0.00 C ATOM 484 OH TYR A 30 -6.227 -4.746 12.804 1.00 0.00 O ATOM 0 H TYR A 30 -6.271 -1.068 8.201 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.172 -3.411 6.831 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.688 -1.217 8.324 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.355 -2.752 7.804 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.160 -4.926 8.647 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.533 -1.059 10.413 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.180 -5.999 10.651 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.548 -2.131 12.413 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.961 -4.055 13.446 1.00 0.00 H new ATOM 494 N LEU A 31 -7.324 -2.202 4.642 1.00 0.00 N ATOM 495 CA LEU A 31 -7.524 -1.686 3.317 1.00 0.00 C ATOM 496 C LEU A 31 -8.854 -2.114 2.779 1.00 0.00 C ATOM 497 O LEU A 31 -9.432 -3.119 3.189 1.00 0.00 O ATOM 498 CB LEU A 31 -6.417 -2.154 2.336 1.00 0.00 C ATOM 499 CG LEU A 31 -5.377 -1.067 1.980 1.00 0.00 C ATOM 500 CD1 LEU A 31 -4.610 -0.507 3.191 1.00 0.00 C ATOM 501 CD2 LEU A 31 -4.404 -1.610 0.921 1.00 0.00 C ATOM 0 H LEU A 31 -6.728 -3.030 4.651 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.483 -0.600 3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.898 -3.007 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.887 -2.504 1.417 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.937 -0.222 1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.901 0.249 2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.314 -0.058 3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.071 -1.315 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.672 -0.842 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.890 -2.487 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.959 -1.887 0.025 1.00 0.00 H new ATOM 513 N THR A 32 -9.338 -1.305 1.817 1.00 0.00 N ATOM 514 CA THR A 32 -10.508 -1.571 1.020 1.00 0.00 C ATOM 515 C THR A 32 -10.011 -1.575 -0.391 1.00 0.00 C ATOM 516 O THR A 32 -8.826 -1.377 -0.634 1.00 0.00 O ATOM 517 CB THR A 32 -11.665 -0.600 1.242 1.00 0.00 C ATOM 518 OG1 THR A 32 -11.320 0.748 0.960 1.00 0.00 O ATOM 519 CG2 THR A 32 -12.122 -0.695 2.710 1.00 0.00 C ATOM 0 H THR A 32 -8.893 -0.418 1.580 1.00 0.00 H new ATOM 0 HA THR A 32 -10.958 -2.522 1.304 1.00 0.00 H new ATOM 0 HB THR A 32 -12.461 -0.885 0.554 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.097 1.324 1.117 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.949 -0.005 2.879 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.449 -1.712 2.924 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.292 -0.435 3.367 1.00 0.00 H new ATOM 527 N GLU A 33 -10.920 -1.799 -1.365 1.00 0.00 N ATOM 528 CA GLU A 33 -10.632 -1.686 -2.776 1.00 0.00 C ATOM 529 C GLU A 33 -10.476 -0.227 -3.117 1.00 0.00 C ATOM 530 O GLU A 33 -9.712 0.143 -4.006 1.00 0.00 O ATOM 531 CB GLU A 33 -11.790 -2.281 -3.620 1.00 0.00 C ATOM 532 CG GLU A 33 -11.575 -2.231 -5.145 1.00 0.00 C ATOM 533 CD GLU A 33 -12.753 -2.897 -5.855 1.00 0.00 C ATOM 534 OE1 GLU A 33 -12.950 -4.125 -5.652 1.00 0.00 O ATOM 535 OE2 GLU A 33 -13.466 -2.188 -6.613 1.00 0.00 O ATOM 0 H GLU A 33 -11.885 -2.067 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.718 -2.236 -3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.940 -3.319 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.708 -1.745 -3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.478 -1.196 -5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.646 -2.738 -5.408 1.00 0.00 H new ATOM 542 N GLN A 34 -11.220 0.625 -2.374 1.00 0.00 N ATOM 543 CA GLN A 34 -11.436 2.015 -2.683 1.00 0.00 C ATOM 544 C GLN A 34 -10.288 2.845 -2.190 1.00 0.00 C ATOM 545 O GLN A 34 -9.846 3.772 -2.867 1.00 0.00 O ATOM 546 CB GLN A 34 -12.766 2.507 -2.053 1.00 0.00 C ATOM 547 CG GLN A 34 -13.352 3.814 -2.630 1.00 0.00 C ATOM 548 CD GLN A 34 -12.586 5.055 -2.150 1.00 0.00 C ATOM 549 OE1 GLN A 34 -12.401 5.254 -0.943 1.00 0.00 O ATOM 550 NE2 GLN A 34 -12.135 5.901 -3.127 1.00 0.00 N ATOM 0 H GLN A 34 -11.692 0.331 -1.519 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.502 2.123 -3.766 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.510 1.719 -2.166 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.608 2.645 -0.983 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.326 3.772 -3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -14.399 3.900 -2.339 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.315 5.689 -4.108 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.619 6.743 -2.874 1.00 0.00 H new ATOM 559 N ARG A 35 -9.777 2.541 -0.983 1.00 0.00 N ATOM 560 CA ARG A 35 -8.791 3.372 -0.347 1.00 0.00 C ATOM 561 C ARG A 35 -7.419 2.903 -0.652 1.00 0.00 C ATOM 562 O ARG A 35 -6.477 3.688 -0.594 1.00 0.00 O ATOM 563 CB ARG A 35 -8.998 3.467 1.158 1.00 0.00 C ATOM 564 CG ARG A 35 -8.555 2.336 2.069 1.00 0.00 C ATOM 565 CD ARG A 35 -7.125 2.514 2.581 1.00 0.00 C ATOM 566 NE ARG A 35 -7.192 1.952 3.948 1.00 0.00 N ATOM 567 CZ ARG A 35 -7.220 2.718 5.081 1.00 0.00 C ATOM 568 NH1 ARG A 35 -7.048 4.066 5.008 1.00 0.00 N ATOM 569 NH2 ARG A 35 -7.476 2.128 6.287 1.00 0.00 N ATOM 0 H ARG A 35 -10.045 1.718 -0.443 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.917 4.374 -0.757 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.490 4.370 1.496 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.064 3.618 1.327 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.235 2.272 2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.628 1.391 1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.404 1.982 1.960 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.826 3.562 2.589 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.219 0.938 4.051 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.897 4.513 4.104 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.070 4.630 5.858 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.644 1.123 6.338 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.499 2.692 7.136 1.00 0.00 H new ATOM 583 N ARG A 36 -7.293 1.613 -1.043 1.00 0.00 N ATOM 584 CA ARG A 36 -6.099 1.057 -1.635 1.00 0.00 C ATOM 585 C ARG A 36 -5.772 1.792 -2.902 1.00 0.00 C ATOM 586 O ARG A 36 -4.607 2.012 -3.222 1.00 0.00 O ATOM 587 CB ARG A 36 -6.314 -0.415 -2.036 1.00 0.00 C ATOM 588 CG ARG A 36 -5.141 -1.083 -2.767 1.00 0.00 C ATOM 589 CD ARG A 36 -5.393 -2.556 -3.097 1.00 0.00 C ATOM 590 NE ARG A 36 -6.553 -2.666 -4.043 1.00 0.00 N ATOM 591 CZ ARG A 36 -7.221 -3.841 -4.262 1.00 0.00 C ATOM 592 NH1 ARG A 36 -6.922 -4.967 -3.553 1.00 0.00 N ATOM 593 NH2 ARG A 36 -8.203 -3.887 -5.207 1.00 0.00 N ATOM 0 H ARG A 36 -8.047 0.933 -0.945 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.302 1.143 -0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.532 -0.990 -1.136 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.196 -0.474 -2.673 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.941 -0.540 -3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.245 -1.004 -2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.502 -2.997 -3.544 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.601 -3.114 -2.184 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.856 -1.831 -4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.189 -4.944 -2.844 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.432 -5.832 -3.731 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.434 -3.051 -5.743 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.706 -4.758 -5.377 1.00 0.00 H new ATOM 607 N GLN A 37 -6.831 2.194 -3.639 1.00 0.00 N ATOM 608 CA GLN A 37 -6.655 2.797 -4.948 1.00 0.00 C ATOM 609 C GLN A 37 -6.599 4.296 -4.847 1.00 0.00 C ATOM 610 O GLN A 37 -6.395 4.986 -5.844 1.00 0.00 O ATOM 611 CB GLN A 37 -7.651 2.346 -6.042 1.00 0.00 C ATOM 612 CG GLN A 37 -9.065 2.916 -5.908 1.00 0.00 C ATOM 613 CD GLN A 37 -9.976 2.276 -6.962 1.00 0.00 C ATOM 614 OE1 GLN A 37 -9.701 2.368 -8.165 1.00 0.00 O ATOM 615 NE2 GLN A 37 -11.078 1.616 -6.494 1.00 0.00 N ATOM 0 H GLN A 37 -7.802 2.106 -3.340 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.695 2.414 -5.293 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.252 2.632 -7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.712 1.258 -6.030 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.454 2.721 -4.909 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.046 3.998 -6.037 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.257 1.571 -5.491 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.721 1.169 -7.148 1.00 0.00 H new ATOM 624 N SER A 38 -6.732 4.829 -3.611 1.00 0.00 N ATOM 625 CA SER A 38 -6.455 6.209 -3.304 1.00 0.00 C ATOM 626 C SER A 38 -4.987 6.329 -3.005 1.00 0.00 C ATOM 627 O SER A 38 -4.408 7.394 -3.204 1.00 0.00 O ATOM 628 CB SER A 38 -7.217 6.729 -2.071 1.00 0.00 C ATOM 629 OG SER A 38 -8.620 6.666 -2.283 1.00 0.00 O ATOM 0 H SER A 38 -7.040 4.287 -2.804 1.00 0.00 H new ATOM 0 HA SER A 38 -6.772 6.800 -4.164 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.950 6.137 -1.196 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.922 7.757 -1.862 1.00 0.00 H new ATOM 0 HG SER A 38 -8.884 5.738 -2.453 1.00 0.00 H new ATOM 635 N LEU A 39 -4.342 5.218 -2.553 1.00 0.00 N ATOM 636 CA LEU A 39 -2.906 5.151 -2.391 1.00 0.00 C ATOM 637 C LEU A 39 -2.297 4.935 -3.759 1.00 0.00 C ATOM 638 O LEU A 39 -1.141 5.288 -3.990 1.00 0.00 O ATOM 639 CB LEU A 39 -2.370 4.023 -1.458 1.00 0.00 C ATOM 640 CG LEU A 39 -3.245 3.613 -0.246 1.00 0.00 C ATOM 641 CD1 LEU A 39 -2.569 2.485 0.561 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.674 4.765 0.682 1.00 0.00 C ATOM 0 H LEU A 39 -4.825 4.357 -2.297 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.624 6.089 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.204 3.135 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.397 4.336 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.174 3.252 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.201 2.214 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.426 1.615 -0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.601 2.829 0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.281 4.369 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.789 5.250 1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.256 5.492 0.115 1.00 0.00 H new ATOM 654 N ALA A 40 -3.087 4.348 -4.703 1.00 0.00 N ATOM 655 CA ALA A 40 -2.679 4.132 -6.075 1.00 0.00 C ATOM 656 C ALA A 40 -2.699 5.418 -6.855 1.00 0.00 C ATOM 657 O ALA A 40 -1.975 5.573 -7.835 1.00 0.00 O ATOM 658 CB ALA A 40 -3.562 3.121 -6.820 1.00 0.00 C ATOM 0 H ALA A 40 -4.031 4.017 -4.505 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.668 3.730 -6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.201 3.006 -7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.522 2.158 -6.311 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.591 3.480 -6.837 1.00 0.00 H new ATOM 664 N GLN A 41 -3.532 6.389 -6.420 1.00 0.00 N ATOM 665 CA GLN A 41 -3.613 7.698 -7.019 1.00 0.00 C ATOM 666 C GLN A 41 -2.430 8.503 -6.539 1.00 0.00 C ATOM 667 O GLN A 41 -1.862 9.302 -7.280 1.00 0.00 O ATOM 668 CB GLN A 41 -4.949 8.378 -6.615 1.00 0.00 C ATOM 669 CG GLN A 41 -5.275 9.734 -7.280 1.00 0.00 C ATOM 670 CD GLN A 41 -4.529 10.915 -6.637 1.00 0.00 C ATOM 671 OE1 GLN A 41 -3.804 11.645 -7.322 1.00 0.00 O ATOM 672 NE2 GLN A 41 -4.731 11.102 -5.297 1.00 0.00 N ATOM 0 H GLN A 41 -4.167 6.263 -5.631 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.591 7.629 -8.107 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.762 7.687 -6.838 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.942 8.523 -5.535 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.020 9.684 -8.339 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.348 9.913 -7.219 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.340 10.468 -4.780 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.272 11.875 -4.815 1.00 0.00 H new ATOM 681 N GLU A 42 -2.047 8.284 -5.261 1.00 0.00 N ATOM 682 CA GLU A 42 -1.182 9.145 -4.502 1.00 0.00 C ATOM 683 C GLU A 42 0.260 9.003 -4.862 1.00 0.00 C ATOM 684 O GLU A 42 0.866 9.905 -5.437 1.00 0.00 O ATOM 685 CB GLU A 42 -1.358 8.855 -2.995 1.00 0.00 C ATOM 686 CG GLU A 42 -0.627 9.823 -2.052 1.00 0.00 C ATOM 687 CD GLU A 42 -0.929 9.437 -0.605 1.00 0.00 C ATOM 688 OE1 GLU A 42 -0.618 8.276 -0.225 1.00 0.00 O ATOM 689 OE2 GLU A 42 -1.471 10.296 0.140 1.00 0.00 O ATOM 0 H GLU A 42 -2.356 7.468 -4.733 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.472 10.168 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.422 8.877 -2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.008 7.843 -2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.447 9.786 -2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.948 10.847 -2.242 1.00 0.00 H new ATOM 696 N LEU A 43 0.831 7.831 -4.514 1.00 0.00 N ATOM 697 CA LEU A 43 2.213 7.472 -4.703 1.00 0.00 C ATOM 698 C LEU A 43 2.435 7.206 -6.155 1.00 0.00 C ATOM 699 O LEU A 43 3.538 7.359 -6.676 1.00 0.00 O ATOM 700 CB LEU A 43 2.523 6.178 -3.925 1.00 0.00 C ATOM 701 CG LEU A 43 2.231 6.319 -2.417 1.00 0.00 C ATOM 702 CD1 LEU A 43 2.247 4.955 -1.709 1.00 0.00 C ATOM 703 CD2 LEU A 43 3.187 7.311 -1.734 1.00 0.00 C ATOM 0 H LEU A 43 0.294 7.085 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 43 2.854 8.280 -4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.929 5.360 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.571 5.913 -4.067 1.00 0.00 H new ATOM 0 HG LEU A 43 1.225 6.728 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.037 5.093 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.487 4.308 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.228 4.495 -1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.944 7.379 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.214 6.965 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.081 8.294 -2.194 1.00 0.00 H new ATOM 715 N GLY A 44 1.335 6.823 -6.829 1.00 0.00 N ATOM 716 CA GLY A 44 1.303 6.623 -8.252 1.00 0.00 C ATOM 717 C GLY A 44 1.532 5.173 -8.493 1.00 0.00 C ATOM 718 O GLY A 44 2.342 4.789 -9.336 1.00 0.00 O ATOM 0 H GLY A 44 0.439 6.646 -6.374 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.343 6.935 -8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.071 7.221 -8.743 1.00 0.00 H new ATOM 722 N LEU A 45 0.796 4.342 -7.725 1.00 0.00 N ATOM 723 CA LEU A 45 0.854 2.899 -7.836 1.00 0.00 C ATOM 724 C LEU A 45 -0.342 2.449 -8.632 1.00 0.00 C ATOM 725 O LEU A 45 -0.997 3.251 -9.295 1.00 0.00 O ATOM 726 CB LEU A 45 0.898 2.198 -6.457 1.00 0.00 C ATOM 727 CG LEU A 45 2.211 2.468 -5.693 1.00 0.00 C ATOM 728 CD1 LEU A 45 2.030 2.338 -4.174 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.330 1.541 -6.188 1.00 0.00 C ATOM 0 H LEU A 45 0.146 4.672 -7.011 1.00 0.00 H new ATOM 0 HA LEU A 45 1.779 2.619 -8.340 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.056 2.538 -5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.778 1.124 -6.596 1.00 0.00 H new ATOM 0 HG LEU A 45 2.498 3.499 -5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.979 2.536 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.285 3.057 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.697 1.328 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.246 1.749 -5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.039 0.503 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.501 1.712 -7.251 1.00 0.00 H new ATOM 741 N ASN A 46 -0.635 1.131 -8.594 1.00 0.00 N ATOM 742 CA ASN A 46 -1.832 0.553 -9.152 1.00 0.00 C ATOM 743 C ASN A 46 -2.468 -0.173 -8.005 1.00 0.00 C ATOM 744 O ASN A 46 -1.933 -0.202 -6.899 1.00 0.00 O ATOM 745 CB ASN A 46 -1.574 -0.467 -10.292 1.00 0.00 C ATOM 746 CG ASN A 46 -0.802 0.188 -11.446 1.00 0.00 C ATOM 747 OD1 ASN A 46 0.318 -0.230 -11.765 1.00 0.00 O ATOM 748 ND2 ASN A 46 -1.425 1.227 -12.079 1.00 0.00 N ATOM 0 H ASN A 46 -0.020 0.442 -8.161 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.441 1.341 -9.596 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.009 -1.315 -9.906 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.523 -0.857 -10.659 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.965 1.699 -12.857 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.350 1.530 -11.773 1.00 0.00 H new ATOM 755 N GLU A 47 -3.644 -0.796 -8.250 1.00 0.00 N ATOM 756 CA GLU A 47 -4.326 -1.642 -7.295 1.00 0.00 C ATOM 757 C GLU A 47 -3.599 -2.948 -7.173 1.00 0.00 C ATOM 758 O GLU A 47 -3.558 -3.563 -6.111 1.00 0.00 O ATOM 759 CB GLU A 47 -5.774 -1.956 -7.731 1.00 0.00 C ATOM 760 CG GLU A 47 -6.516 -0.677 -8.138 1.00 0.00 C ATOM 761 CD GLU A 47 -8.028 -0.882 -8.082 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.553 -1.140 -6.965 1.00 0.00 O ATOM 763 OE2 GLU A 47 -8.682 -0.777 -9.154 1.00 0.00 O ATOM 0 H GLU A 47 -4.138 -0.711 -9.138 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.347 -1.104 -6.348 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.762 -2.655 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.305 -2.445 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.231 0.140 -7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.222 -0.386 -9.146 1.00 0.00 H new ATOM 770 N SER A 48 -3.003 -3.358 -8.314 1.00 0.00 N ATOM 771 CA SER A 48 -2.301 -4.599 -8.539 1.00 0.00 C ATOM 772 C SER A 48 -0.992 -4.630 -7.783 1.00 0.00 C ATOM 773 O SER A 48 -0.547 -5.691 -7.351 1.00 0.00 O ATOM 774 CB SER A 48 -2.024 -4.800 -10.052 1.00 0.00 C ATOM 775 OG SER A 48 -1.552 -6.112 -10.344 1.00 0.00 O ATOM 0 H SER A 48 -3.012 -2.774 -9.150 1.00 0.00 H new ATOM 0 HA SER A 48 -2.936 -5.407 -8.175 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.938 -4.611 -10.615 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.288 -4.069 -10.385 1.00 0.00 H new ATOM 0 HG SER A 48 -1.392 -6.195 -11.307 1.00 0.00 H new ATOM 781 N GLN A 49 -0.360 -3.450 -7.602 1.00 0.00 N ATOM 782 CA GLN A 49 0.898 -3.287 -6.918 1.00 0.00 C ATOM 783 C GLN A 49 0.730 -3.495 -5.439 1.00 0.00 C ATOM 784 O GLN A 49 1.518 -4.197 -4.808 1.00 0.00 O ATOM 785 CB GLN A 49 1.428 -1.846 -7.102 1.00 0.00 C ATOM 786 CG GLN A 49 1.866 -1.512 -8.537 1.00 0.00 C ATOM 787 CD GLN A 49 3.155 -2.262 -8.884 1.00 0.00 C ATOM 788 OE1 GLN A 49 3.139 -3.196 -9.694 1.00 0.00 O ATOM 789 NE2 GLN A 49 4.289 -1.827 -8.254 1.00 0.00 N ATOM 0 H GLN A 49 -0.741 -2.569 -7.947 1.00 0.00 H new ATOM 0 HA GLN A 49 1.588 -4.019 -7.338 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.651 -1.144 -6.799 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.274 -1.694 -6.432 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.078 -1.785 -9.239 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.023 -0.438 -8.636 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.240 -1.050 -7.595 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.183 -2.279 -8.444 1.00 0.00 H new ATOM 798 N ILE A 50 -0.304 -2.846 -4.860 1.00 0.00 N ATOM 799 CA ILE A 50 -0.432 -2.635 -3.441 1.00 0.00 C ATOM 800 C ILE A 50 -0.997 -3.862 -2.771 1.00 0.00 C ATOM 801 O ILE A 50 -0.659 -4.141 -1.625 1.00 0.00 O ATOM 802 CB ILE A 50 -1.275 -1.406 -3.129 1.00 0.00 C ATOM 803 CG1 ILE A 50 -0.699 -0.154 -3.828 1.00 0.00 C ATOM 804 CG2 ILE A 50 -1.324 -1.166 -1.606 1.00 0.00 C ATOM 805 CD1 ILE A 50 -1.693 1.007 -3.865 1.00 0.00 C ATOM 0 H ILE A 50 -1.078 -2.454 -5.396 1.00 0.00 H new ATOM 0 HA ILE A 50 0.566 -2.453 -3.042 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.284 -1.585 -3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.206 0.163 -3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.409 -0.412 -4.847 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.930 -0.284 -1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.764 -2.034 -1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.313 -1.010 -1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.237 1.860 -4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.588 0.703 -4.408 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.964 1.287 -2.847 1.00 0.00 H new ATOM 817 N LYS A 51 -1.849 -4.658 -3.461 1.00 0.00 N ATOM 818 CA LYS A 51 -2.446 -5.847 -2.901 1.00 0.00 C ATOM 819 C LYS A 51 -1.414 -6.892 -2.558 1.00 0.00 C ATOM 820 O LYS A 51 -1.450 -7.478 -1.479 1.00 0.00 O ATOM 821 CB LYS A 51 -3.516 -6.453 -3.833 1.00 0.00 C ATOM 822 CG LYS A 51 -3.104 -6.755 -5.284 1.00 0.00 C ATOM 823 CD LYS A 51 -4.295 -7.094 -6.199 1.00 0.00 C ATOM 824 CE LYS A 51 -5.048 -8.370 -5.800 1.00 0.00 C ATOM 825 NZ LYS A 51 -6.148 -8.652 -6.751 1.00 0.00 N ATOM 0 H LYS A 51 -2.129 -4.474 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.934 -5.531 -1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.868 -7.381 -3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.365 -5.770 -3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.576 -5.893 -5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.403 -7.589 -5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.993 -6.257 -6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.934 -7.203 -7.222 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.357 -9.213 -5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.451 -8.260 -4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.643 -9.519 -6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.817 -7.856 -6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.757 -8.779 -7.706 1.00 0.00 H new ATOM 839 N ILE A 52 -0.443 -7.092 -3.473 1.00 0.00 N ATOM 840 CA ILE A 52 0.722 -7.926 -3.360 1.00 0.00 C ATOM 841 C ILE A 52 1.591 -7.466 -2.219 1.00 0.00 C ATOM 842 O ILE A 52 2.034 -8.279 -1.411 1.00 0.00 O ATOM 843 CB ILE A 52 1.463 -7.895 -4.696 1.00 0.00 C ATOM 844 CG1 ILE A 52 0.649 -8.680 -5.758 1.00 0.00 C ATOM 845 CG2 ILE A 52 2.903 -8.414 -4.544 1.00 0.00 C ATOM 846 CD1 ILE A 52 1.240 -8.627 -7.171 1.00 0.00 C ATOM 0 H ILE A 52 -0.478 -6.624 -4.379 1.00 0.00 H new ATOM 0 HA ILE A 52 0.437 -8.954 -3.138 1.00 0.00 H new ATOM 0 HB ILE A 52 1.551 -6.865 -5.040 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.576 -9.722 -5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.366 -8.284 -5.786 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.406 -8.380 -5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.442 -7.788 -3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.883 -9.442 -4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.610 -9.201 -7.851 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.287 -7.591 -7.507 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.244 -9.051 -7.162 1.00 0.00 H new ATOM 858 N TRP A 53 1.824 -6.138 -2.135 1.00 0.00 N ATOM 859 CA TRP A 53 2.659 -5.484 -1.149 1.00 0.00 C ATOM 860 C TRP A 53 2.172 -5.731 0.265 1.00 0.00 C ATOM 861 O TRP A 53 2.980 -5.983 1.155 1.00 0.00 O ATOM 862 CB TRP A 53 2.755 -3.952 -1.410 1.00 0.00 C ATOM 863 CG TRP A 53 3.793 -3.189 -0.595 1.00 0.00 C ATOM 864 CD1 TRP A 53 5.079 -2.864 -0.925 1.00 0.00 C ATOM 865 CD2 TRP A 53 3.577 -2.677 0.733 1.00 0.00 C ATOM 866 NE1 TRP A 53 5.679 -2.183 0.109 1.00 0.00 N ATOM 867 CE2 TRP A 53 4.777 -2.062 1.142 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.470 -2.713 1.572 1.00 0.00 C ATOM 869 CZ2 TRP A 53 4.891 -1.481 2.401 1.00 0.00 C ATOM 870 CZ3 TRP A 53 2.595 -2.181 2.859 1.00 0.00 C ATOM 871 CH2 TRP A 53 3.792 -1.583 3.268 1.00 0.00 C ATOM 0 H TRP A 53 1.408 -5.477 -2.791 1.00 0.00 H new ATOM 0 HA TRP A 53 3.652 -5.923 -1.249 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.971 -3.799 -2.467 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.777 -3.511 -1.217 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.556 -3.107 -1.863 1.00 0.00 H new ATOM 0 HE1 TRP A 53 6.635 -1.827 0.110 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.536 -3.141 1.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.794 -0.969 2.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.761 -2.232 3.543 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.872 -1.192 4.272 1.00 0.00 H new ATOM 882 N PHE A 54 0.838 -5.671 0.507 1.00 0.00 N ATOM 883 CA PHE A 54 0.256 -5.828 1.823 1.00 0.00 C ATOM 884 C PHE A 54 0.269 -7.269 2.245 1.00 0.00 C ATOM 885 O PHE A 54 0.351 -7.547 3.437 1.00 0.00 O ATOM 886 CB PHE A 54 -1.205 -5.300 1.915 1.00 0.00 C ATOM 887 CG PHE A 54 -1.217 -3.874 2.406 1.00 0.00 C ATOM 888 CD1 PHE A 54 -1.047 -2.802 1.517 1.00 0.00 C ATOM 889 CD2 PHE A 54 -1.384 -3.589 3.774 1.00 0.00 C ATOM 890 CE1 PHE A 54 -1.023 -1.479 1.972 1.00 0.00 C ATOM 891 CE2 PHE A 54 -1.373 -2.267 4.235 1.00 0.00 C ATOM 892 CZ PHE A 54 -1.183 -1.211 3.335 1.00 0.00 C ATOM 0 H PHE A 54 0.148 -5.510 -0.226 1.00 0.00 H new ATOM 0 HA PHE A 54 0.875 -5.228 2.490 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.682 -5.359 0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.784 -5.929 2.591 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.933 -3.002 0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.522 -4.398 4.476 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.881 -0.668 1.273 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.511 -2.061 5.286 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.160 -0.192 3.693 1.00 0.00 H new ATOM 902 N GLN A 55 0.212 -8.226 1.287 1.00 0.00 N ATOM 903 CA GLN A 55 0.234 -9.638 1.568 1.00 0.00 C ATOM 904 C GLN A 55 1.628 -10.119 1.871 1.00 0.00 C ATOM 905 O GLN A 55 1.789 -11.139 2.535 1.00 0.00 O ATOM 906 CB GLN A 55 -0.332 -10.459 0.387 1.00 0.00 C ATOM 907 CG GLN A 55 -1.860 -10.337 0.227 1.00 0.00 C ATOM 908 CD GLN A 55 -2.584 -10.898 1.458 1.00 0.00 C ATOM 909 OE1 GLN A 55 -3.208 -10.144 2.217 1.00 0.00 O ATOM 910 NE2 GLN A 55 -2.492 -12.250 1.649 1.00 0.00 N ATOM 0 H GLN A 55 0.149 -8.011 0.292 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.396 -9.788 2.445 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.149 -10.132 -0.535 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.072 -11.508 0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.133 -9.291 0.084 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.181 -10.875 -0.665 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.964 -12.823 0.991 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.951 -12.684 2.449 1.00 0.00 H new ATOM 919 N ASN A 56 2.666 -9.379 1.417 1.00 0.00 N ATOM 920 CA ASN A 56 4.055 -9.649 1.704 1.00 0.00 C ATOM 921 C ASN A 56 4.358 -9.248 3.122 1.00 0.00 C ATOM 922 O ASN A 56 5.023 -9.981 3.850 1.00 0.00 O ATOM 923 CB ASN A 56 4.993 -8.829 0.788 1.00 0.00 C ATOM 924 CG ASN A 56 4.923 -9.327 -0.663 1.00 0.00 C ATOM 925 OD1 ASN A 56 4.496 -10.453 -0.940 1.00 0.00 O ATOM 926 ND2 ASN A 56 5.365 -8.442 -1.610 1.00 0.00 N ATOM 0 H ASN A 56 2.534 -8.558 0.826 1.00 0.00 H new ATOM 0 HA ASN A 56 4.222 -10.714 1.540 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.716 -7.776 0.828 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.018 -8.903 1.152 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.351 -8.701 -2.596 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.708 -7.524 -1.329 1.00 0.00 H new ATOM 933 N LYS A 57 3.841 -8.067 3.532 1.00 0.00 N ATOM 934 CA LYS A 57 3.968 -7.490 4.852 1.00 0.00 C ATOM 935 C LYS A 57 3.212 -8.275 5.896 1.00 0.00 C ATOM 936 O LYS A 57 3.655 -8.354 7.041 1.00 0.00 O ATOM 937 CB LYS A 57 3.502 -6.013 4.872 1.00 0.00 C ATOM 938 CG LYS A 57 4.600 -4.945 4.692 1.00 0.00 C ATOM 939 CD LYS A 57 5.476 -5.043 3.433 1.00 0.00 C ATOM 940 CE LYS A 57 6.788 -5.806 3.664 1.00 0.00 C ATOM 941 NZ LYS A 57 7.618 -5.822 2.438 1.00 0.00 N ATOM 0 H LYS A 57 3.299 -7.475 2.903 1.00 0.00 H new ATOM 0 HA LYS A 57 5.029 -7.531 5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.761 -5.878 4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.997 -5.827 5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.122 -3.965 4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.255 -4.983 5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.911 -5.537 2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.706 -4.038 3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.344 -5.341 4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.568 -6.828 3.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.499 -6.344 2.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.094 -6.287 1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.846 -4.846 2.160 1.00 0.00 H new