USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 366 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 Set 1.1: A 29 GLN : amide:sc= -1.62 K(o=-2.4,f=-7!) USER MOD Set 1.2: A 64 HIS : no HD1:sc= -0.773 X(o=-2.4,f=-2) USER MOD Set 2.1: A 31 CYS SG : rot 114:sc= 0.539 USER MOD Set 2.2: A 34 CYS SG : rot -54:sc= -3.44 USER MOD Set 2.3: A 55 CYS SG : rot 150:sc= 0.697 USER MOD Set 2.4: A 57 HIS :FLIP no HD1:sc= -3.71! F(o=-9.2,f=-7.4!) USER MOD Set 2.5: A 58 CYS SG : rot -46:sc= -1.51 USER MOD Set 3.1: A 18 CYS SG : rot 148:sc= -0.83 USER MOD Set 3.2: A 21 CYS SG : rot -51:sc= -0.141 USER MOD Set 3.3: A 23 SER OG : rot 95:sc= 0.791 USER MOD Set 3.4: A 39 HIS : no HD1:sc= -2.51! C(o=-4.5!,f=-6.5!) USER MOD Set 3.5: A 42 CYS SG : rot 170:sc= -1.84! USER MOD Single : A 19 ASN : amide:sc= -0.983 K(o=-0.98,f=-2.9!) USER MOD Single : A 22 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.19) USER MOD Single : A 27 GLN :FLIP amide:sc= -7.31! C(o=-8.8!,f=-7.3!) USER MOD Single : A 30 SER OG : rot 160:sc= -0.277 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -105:sc= -2.02 (180deg=-4.12!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.514 K(o=-0.51,f=-5.3!) USER MOD Single : A 59 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.0062) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 214 N ILE A 17 -11.973 -4.881 1.720 1.00 0.00 N ATOM 215 CA ILE A 17 -11.512 -4.633 3.081 1.00 0.00 C ATOM 216 C ILE A 17 -9.993 -4.512 3.133 1.00 0.00 C ATOM 217 O ILE A 17 -9.276 -5.268 2.476 1.00 0.00 O ATOM 218 CB ILE A 17 -11.960 -5.752 4.040 1.00 0.00 C ATOM 219 CG1 ILE A 17 -13.485 -5.879 4.034 1.00 0.00 C ATOM 220 CG2 ILE A 17 -11.451 -5.479 5.447 1.00 0.00 C ATOM 221 CD1 ILE A 17 -14.197 -4.625 4.490 1.00 0.00 C ATOM 0 HA ILE A 17 -11.960 -3.692 3.400 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.535 -6.695 3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.817 -6.130 3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.775 -6.707 4.680 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.776 -6.278 6.113 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -10.362 -5.434 5.438 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.850 -4.528 5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -15.274 -4.787 4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -13.894 -4.385 5.509 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -13.936 -3.798 3.830 1.00 0.00 H new ATOM 233 N CYS A 18 -9.507 -3.558 3.920 1.00 0.00 N ATOM 234 CA CYS A 18 -8.073 -3.338 4.060 1.00 0.00 C ATOM 235 C CYS A 18 -7.396 -4.551 4.690 1.00 0.00 C ATOM 236 O CYS A 18 -8.060 -5.438 5.224 1.00 0.00 O ATOM 237 CB CYS A 18 -7.808 -2.093 4.910 1.00 0.00 C ATOM 238 SG CYS A 18 -6.100 -1.469 4.801 1.00 0.00 S ATOM 0 H CYS A 18 -10.086 -2.924 4.471 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.655 -3.187 3.065 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.493 -1.303 4.601 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.034 -2.322 5.951 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.101 -0.176 4.937 1.00 0.00 H new ATOM 243 N ASN A 19 -6.068 -4.581 4.624 1.00 0.00 N ATOM 244 CA ASN A 19 -5.300 -5.686 5.188 1.00 0.00 C ATOM 245 C ASN A 19 -4.477 -5.220 6.385 1.00 0.00 C ATOM 246 O ASN A 19 -4.037 -6.031 7.201 1.00 0.00 O ATOM 247 CB ASN A 19 -4.380 -6.289 4.125 1.00 0.00 C ATOM 248 CG ASN A 19 -3.568 -7.454 4.656 1.00 0.00 C ATOM 249 OD1 ASN A 19 -2.576 -7.264 5.359 1.00 0.00 O ATOM 250 ND2 ASN A 19 -3.988 -8.669 4.322 1.00 0.00 N ATOM 0 H ASN A 19 -5.502 -3.854 4.186 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.001 -6.449 5.527 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.979 -6.623 3.278 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.705 -5.518 3.754 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.482 -9.492 4.651 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.816 -8.779 3.737 1.00 0.00 H new ATOM 257 N ILE A 20 -4.273 -3.911 6.482 1.00 0.00 N ATOM 258 CA ILE A 20 -3.504 -3.338 7.580 1.00 0.00 C ATOM 259 C ILE A 20 -4.406 -2.989 8.760 1.00 0.00 C ATOM 260 O ILE A 20 -4.086 -3.290 9.910 1.00 0.00 O ATOM 261 CB ILE A 20 -2.745 -2.073 7.137 1.00 0.00 C ATOM 262 CG1 ILE A 20 -1.790 -2.402 5.987 1.00 0.00 C ATOM 263 CG2 ILE A 20 -1.985 -1.473 8.309 1.00 0.00 C ATOM 264 CD1 ILE A 20 -0.716 -3.400 6.361 1.00 0.00 C ATOM 0 H ILE A 20 -4.629 -3.227 5.814 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.783 -4.095 7.888 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.468 -1.338 6.785 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.365 -2.796 5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.316 -1.482 5.644 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.454 -0.580 7.979 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.687 -1.207 9.100 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.269 -2.201 8.689 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.076 -3.586 5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.116 -3.000 7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.181 -4.334 6.676 1.00 0.00 H new ATOM 276 N CYS A 21 -5.535 -2.353 8.466 1.00 0.00 N ATOM 277 CA CYS A 21 -6.485 -1.964 9.500 1.00 0.00 C ATOM 278 C CYS A 21 -7.783 -2.755 9.372 1.00 0.00 C ATOM 279 O CYS A 21 -8.568 -2.839 10.318 1.00 0.00 O ATOM 280 CB CYS A 21 -6.778 -0.465 9.415 1.00 0.00 C ATOM 281 SG CYS A 21 -7.651 0.037 7.896 1.00 0.00 S ATOM 0 H CYS A 21 -5.814 -2.096 7.519 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.039 -2.186 10.470 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.376 -0.173 10.278 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.838 0.082 9.479 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.026 -0.438 6.859 1.00 0.00 H new ATOM 286 N HIS A 22 -8.003 -3.334 8.196 1.00 0.00 N ATOM 287 CA HIS A 22 -9.206 -4.120 7.944 1.00 0.00 C ATOM 288 C HIS A 22 -10.431 -3.218 7.831 1.00 0.00 C ATOM 289 O HIS A 22 -11.551 -3.635 8.125 1.00 0.00 O ATOM 290 CB HIS A 22 -9.415 -5.145 9.060 1.00 0.00 C ATOM 291 CG HIS A 22 -8.174 -5.906 9.413 1.00 0.00 C ATOM 292 ND1 HIS A 22 -7.639 -5.925 10.684 1.00 0.00 N ATOM 293 CD2 HIS A 22 -7.364 -6.680 8.654 1.00 0.00 C ATOM 294 CE1 HIS A 22 -6.553 -6.677 10.690 1.00 0.00 C ATOM 295 NE2 HIS A 22 -6.364 -7.147 9.471 1.00 0.00 N ATOM 0 H HIS A 22 -7.365 -3.274 7.403 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.075 -4.645 6.998 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.782 -4.632 9.949 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.189 -5.849 8.755 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.482 -6.891 7.601 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.926 -6.874 11.547 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -5.600 -7.758 9.183 1.00 0.00 H new ATOM 303 N SER A 23 -10.210 -1.978 7.404 1.00 0.00 N ATOM 304 CA SER A 23 -11.295 -1.015 7.256 1.00 0.00 C ATOM 305 C SER A 23 -11.660 -0.830 5.787 1.00 0.00 C ATOM 306 O SER A 23 -10.801 -0.899 4.907 1.00 0.00 O ATOM 307 CB SER A 23 -10.898 0.329 7.868 1.00 0.00 C ATOM 308 OG SER A 23 -10.507 0.178 9.222 1.00 0.00 O ATOM 0 H SER A 23 -9.289 -1.617 7.155 1.00 0.00 H new ATOM 0 HA SER A 23 -12.167 -1.403 7.783 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.079 0.765 7.296 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.736 1.023 7.804 1.00 0.00 H new ATOM 0 HG SER A 23 -9.533 0.085 9.273 1.00 0.00 H new ATOM 314 N LEU A 24 -12.942 -0.595 5.528 1.00 0.00 N ATOM 315 CA LEU A 24 -13.424 -0.400 4.165 1.00 0.00 C ATOM 316 C LEU A 24 -12.637 0.702 3.462 1.00 0.00 C ATOM 317 O LEU A 24 -12.377 1.759 4.038 1.00 0.00 O ATOM 318 CB LEU A 24 -14.913 -0.052 4.174 1.00 0.00 C ATOM 319 CG LEU A 24 -15.758 -0.685 3.068 1.00 0.00 C ATOM 320 CD1 LEU A 24 -15.441 -0.048 1.724 1.00 0.00 C ATOM 321 CD2 LEU A 24 -15.528 -2.188 3.016 1.00 0.00 C ATOM 0 H LEU A 24 -13.666 -0.535 6.244 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.278 -1.331 3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -15.329 -0.349 5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.013 1.031 4.105 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.810 -0.506 3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.052 -0.511 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -15.657 1.019 1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.386 -0.195 1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -16.137 -2.622 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -14.475 -2.388 2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -15.806 -2.632 3.972 1.00 0.00 H new ATOM 333 N LEU A 25 -12.262 0.449 2.213 1.00 0.00 N ATOM 334 CA LEU A 25 -11.507 1.420 1.429 1.00 0.00 C ATOM 335 C LEU A 25 -12.077 1.544 0.019 1.00 0.00 C ATOM 336 O LEU A 25 -12.683 0.606 -0.500 1.00 0.00 O ATOM 337 CB LEU A 25 -10.033 1.016 1.362 1.00 0.00 C ATOM 338 CG LEU A 25 -9.754 -0.448 1.019 1.00 0.00 C ATOM 339 CD1 LEU A 25 -10.067 -0.723 -0.443 1.00 0.00 C ATOM 340 CD2 LEU A 25 -8.308 -0.803 1.333 1.00 0.00 C ATOM 0 H LEU A 25 -12.468 -0.421 1.721 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.590 2.389 1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.538 1.643 0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.572 1.237 2.325 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.402 -1.075 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.862 -1.770 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.118 -0.509 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.445 -0.088 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.127 -1.848 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.642 -0.169 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.117 -0.646 2.395 1.00 0.00 H new ATOM 352 N ILE A 26 -11.875 2.704 -0.595 1.00 0.00 N ATOM 353 CA ILE A 26 -12.366 2.948 -1.946 1.00 0.00 C ATOM 354 C ILE A 26 -11.298 3.615 -2.807 1.00 0.00 C ATOM 355 O ILE A 26 -11.246 3.408 -4.018 1.00 0.00 O ATOM 356 CB ILE A 26 -13.626 3.833 -1.936 1.00 0.00 C ATOM 357 CG1 ILE A 26 -13.323 5.184 -1.286 1.00 0.00 C ATOM 358 CG2 ILE A 26 -14.760 3.130 -1.204 1.00 0.00 C ATOM 359 CD1 ILE A 26 -14.443 6.190 -1.432 1.00 0.00 C ATOM 0 H ILE A 26 -11.375 3.490 -0.179 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.618 1.976 -2.370 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.937 4.009 -2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -13.119 5.031 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.416 5.596 -1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -15.644 3.768 -1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.990 2.190 -1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -14.459 2.928 -0.176 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -14.159 7.124 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -14.632 6.373 -2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -15.347 5.799 -0.964 1.00 0.00 H new ATOM 371 N GLN A 27 -10.447 4.414 -2.171 1.00 0.00 N ATOM 372 CA GLN A 27 -9.379 5.110 -2.879 1.00 0.00 C ATOM 373 C GLN A 27 -8.015 4.745 -2.301 1.00 0.00 C ATOM 374 O GLN A 27 -7.199 5.619 -2.013 1.00 0.00 O ATOM 375 CB GLN A 27 -9.590 6.623 -2.803 1.00 0.00 C ATOM 376 CG GLN A 27 -9.548 7.173 -1.386 1.00 0.00 C ATOM 377 CD GLN A 27 -10.781 6.810 -0.583 1.00 0.00 C ATOM 378 OE1 GLN A 27 -10.673 5.762 0.227 1.00 0.00 O flip ATOM 379 NE2 GLN A 27 -11.820 7.463 -0.688 1.00 0.00 N flip ATOM 0 H GLN A 27 -10.476 4.595 -1.168 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.406 4.799 -3.923 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.824 7.119 -3.399 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.552 6.870 -3.251 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.663 6.791 -0.878 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.450 8.258 -1.424 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.859 8.261 -1.322 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.641 7.206 -0.141 1.00 0.00 H new ATOM 388 N GLY A 28 -7.776 3.448 -2.135 1.00 0.00 N ATOM 389 CA GLY A 28 -6.510 2.991 -1.592 1.00 0.00 C ATOM 390 C GLY A 28 -5.717 2.167 -2.586 1.00 0.00 C ATOM 391 O GLY A 28 -6.205 1.855 -3.672 1.00 0.00 O ATOM 0 H GLY A 28 -8.436 2.706 -2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.918 3.853 -1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.695 2.396 -0.698 1.00 0.00 H new ATOM 395 N GLN A 29 -4.489 1.816 -2.216 1.00 0.00 N ATOM 396 CA GLN A 29 -3.626 1.025 -3.085 1.00 0.00 C ATOM 397 C GLN A 29 -4.117 -0.416 -3.175 1.00 0.00 C ATOM 398 O GLN A 29 -4.958 -0.846 -2.385 1.00 0.00 O ATOM 399 CB GLN A 29 -2.185 1.055 -2.573 1.00 0.00 C ATOM 400 CG GLN A 29 -1.677 2.455 -2.267 1.00 0.00 C ATOM 401 CD GLN A 29 -1.914 3.424 -3.409 1.00 0.00 C ATOM 402 OE1 GLN A 29 -3.054 3.670 -3.803 1.00 0.00 O ATOM 403 NE2 GLN A 29 -0.835 3.980 -3.946 1.00 0.00 N ATOM 0 H GLN A 29 -4.070 2.067 -1.321 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.658 1.463 -4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.116 0.447 -1.671 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.534 0.596 -3.317 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.171 2.829 -1.370 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.610 2.411 -2.049 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.091 3.747 -3.587 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.932 4.641 -4.717 1.00 0.00 H new ATOM 412 N SER A 30 -3.586 -1.158 -4.141 1.00 0.00 N ATOM 413 CA SER A 30 -3.973 -2.550 -4.336 1.00 0.00 C ATOM 414 C SER A 30 -2.785 -3.383 -4.808 1.00 0.00 C ATOM 415 O SER A 30 -1.796 -2.848 -5.310 1.00 0.00 O ATOM 416 CB SER A 30 -5.113 -2.647 -5.352 1.00 0.00 C ATOM 417 OG SER A 30 -6.248 -1.921 -4.915 1.00 0.00 O ATOM 0 H SER A 30 -2.886 -0.818 -4.801 1.00 0.00 H new ATOM 0 HA SER A 30 -4.314 -2.944 -3.379 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.780 -2.261 -6.315 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.382 -3.692 -5.503 1.00 0.00 H new ATOM 0 HG SER A 30 -6.826 -1.724 -5.682 1.00 0.00 H new ATOM 423 N CYS A 31 -2.889 -4.698 -4.642 1.00 0.00 N ATOM 424 CA CYS A 31 -1.825 -5.607 -5.049 1.00 0.00 C ATOM 425 C CYS A 31 -2.248 -6.433 -6.260 1.00 0.00 C ATOM 426 O CYS A 31 -3.364 -6.950 -6.311 1.00 0.00 O ATOM 427 CB CYS A 31 -1.447 -6.534 -3.892 1.00 0.00 C ATOM 428 SG CYS A 31 0.095 -7.466 -4.159 1.00 0.00 S ATOM 0 H CYS A 31 -3.700 -5.157 -4.228 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.957 -5.009 -5.325 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.348 -5.941 -2.983 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.261 -7.239 -3.725 1.00 0.00 H new ATOM 0 HG CYS A 31 0.993 -7.074 -3.304 1.00 0.00 H new ATOM 433 N GLU A 32 -1.349 -6.552 -7.233 1.00 0.00 N ATOM 434 CA GLU A 32 -1.631 -7.314 -8.443 1.00 0.00 C ATOM 435 C GLU A 32 -1.142 -8.753 -8.306 1.00 0.00 C ATOM 436 O GLU A 32 -1.473 -9.615 -9.121 1.00 0.00 O ATOM 437 CB GLU A 32 -0.970 -6.652 -9.654 1.00 0.00 C ATOM 438 CG GLU A 32 -1.569 -5.302 -10.012 1.00 0.00 C ATOM 439 CD GLU A 32 -2.923 -5.424 -10.684 1.00 0.00 C ATOM 440 OE1 GLU A 32 -2.997 -6.051 -11.761 1.00 0.00 O ATOM 441 OE2 GLU A 32 -3.908 -4.893 -10.131 1.00 0.00 O ATOM 0 H GLU A 32 -0.420 -6.131 -7.206 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.711 -7.328 -8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.094 -6.526 -9.453 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.056 -7.317 -10.513 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.669 -4.702 -9.108 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.886 -4.770 -10.674 1.00 0.00 H new ATOM 448 N THR A 33 -0.349 -9.006 -7.269 1.00 0.00 N ATOM 449 CA THR A 33 0.188 -10.339 -7.025 1.00 0.00 C ATOM 450 C THR A 33 -0.886 -11.273 -6.479 1.00 0.00 C ATOM 451 O THR A 33 -1.199 -12.298 -7.087 1.00 0.00 O ATOM 452 CB THR A 33 1.366 -10.297 -6.034 1.00 0.00 C ATOM 453 OG1 THR A 33 2.413 -9.468 -6.552 1.00 0.00 O ATOM 454 CG2 THR A 33 1.904 -11.696 -5.772 1.00 0.00 C ATOM 0 H THR A 33 -0.065 -8.305 -6.585 1.00 0.00 H new ATOM 0 HA THR A 33 0.542 -10.717 -7.984 1.00 0.00 H new ATOM 0 HB THR A 33 1.005 -9.881 -5.093 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.158 -9.445 -5.915 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.735 -11.640 -5.069 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.113 -12.317 -5.351 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.249 -12.134 -6.708 1.00 0.00 H new ATOM 462 N CYS A 34 -1.449 -10.914 -5.331 1.00 0.00 N ATOM 463 CA CYS A 34 -2.489 -11.719 -4.703 1.00 0.00 C ATOM 464 C CYS A 34 -3.874 -11.160 -5.016 1.00 0.00 C ATOM 465 O CYS A 34 -4.770 -11.892 -5.436 1.00 0.00 O ATOM 466 CB CYS A 34 -2.279 -11.771 -3.188 1.00 0.00 C ATOM 467 SG CYS A 34 -2.198 -10.135 -2.393 1.00 0.00 S ATOM 0 H CYS A 34 -1.202 -10.069 -4.816 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.424 -12.729 -5.107 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.092 -12.342 -2.739 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.356 -12.311 -2.978 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.284 -9.415 -2.974 1.00 0.00 H new ATOM 472 N GLY A 35 -4.041 -9.857 -4.810 1.00 0.00 N ATOM 473 CA GLY A 35 -5.319 -9.222 -5.075 1.00 0.00 C ATOM 474 C GLY A 35 -5.938 -8.622 -3.829 1.00 0.00 C ATOM 475 O GLY A 35 -7.063 -8.962 -3.462 1.00 0.00 O ATOM 0 H GLY A 35 -3.314 -9.230 -4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.185 -8.440 -5.823 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.004 -9.955 -5.500 1.00 0.00 H new ATOM 479 N ILE A 36 -5.203 -7.729 -3.175 1.00 0.00 N ATOM 480 CA ILE A 36 -5.687 -7.082 -1.962 1.00 0.00 C ATOM 481 C ILE A 36 -5.697 -5.565 -2.116 1.00 0.00 C ATOM 482 O ILE A 36 -5.292 -5.032 -3.149 1.00 0.00 O ATOM 483 CB ILE A 36 -4.826 -7.458 -0.742 1.00 0.00 C ATOM 484 CG1 ILE A 36 -3.379 -7.008 -0.953 1.00 0.00 C ATOM 485 CG2 ILE A 36 -4.890 -8.957 -0.490 1.00 0.00 C ATOM 486 CD1 ILE A 36 -3.080 -5.643 -0.373 1.00 0.00 C ATOM 0 H ILE A 36 -4.270 -7.437 -3.465 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.705 -7.435 -1.800 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.221 -6.945 0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.710 -7.740 -0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.163 -6.995 -2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.276 -9.207 0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.922 -9.250 -0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.517 -9.489 -1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.037 -5.389 -0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.724 -4.899 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.264 -5.656 0.701 1.00 0.00 H new ATOM 498 N ARG A 37 -6.161 -4.874 -1.079 1.00 0.00 N ATOM 499 CA ARG A 37 -6.223 -3.418 -1.098 1.00 0.00 C ATOM 500 C ARG A 37 -5.857 -2.840 0.266 1.00 0.00 C ATOM 501 O ARG A 37 -6.222 -3.393 1.303 1.00 0.00 O ATOM 502 CB ARG A 37 -7.622 -2.951 -1.503 1.00 0.00 C ATOM 503 CG ARG A 37 -8.080 -3.493 -2.847 1.00 0.00 C ATOM 504 CD ARG A 37 -9.113 -2.582 -3.492 1.00 0.00 C ATOM 505 NE ARG A 37 -9.192 -2.782 -4.937 1.00 0.00 N ATOM 506 CZ ARG A 37 -9.685 -3.879 -5.501 1.00 0.00 C ATOM 507 NH1 ARG A 37 -10.141 -4.869 -4.747 1.00 0.00 N ATOM 508 NH2 ARG A 37 -9.723 -3.986 -6.823 1.00 0.00 N ATOM 0 H ARG A 37 -6.499 -5.299 -0.216 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.501 -3.058 -1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.334 -3.256 -0.736 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.637 -1.862 -1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.221 -3.598 -3.510 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.504 -4.488 -2.714 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.090 -2.769 -3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.861 -1.542 -3.283 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.850 -2.039 -5.546 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.114 -4.790 -3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.519 -5.710 -5.183 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.374 -3.226 -7.406 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.102 -4.828 -7.256 1.00 0.00 H new ATOM 522 N MET A 38 -5.134 -1.725 0.257 1.00 0.00 N ATOM 523 CA MET A 38 -4.720 -1.073 1.493 1.00 0.00 C ATOM 524 C MET A 38 -4.822 0.444 1.369 1.00 0.00 C ATOM 525 O MET A 38 -4.484 1.016 0.332 1.00 0.00 O ATOM 526 CB MET A 38 -3.286 -1.471 1.850 1.00 0.00 C ATOM 527 CG MET A 38 -3.108 -2.963 2.076 1.00 0.00 C ATOM 528 SD MET A 38 -1.460 -3.542 1.630 1.00 0.00 S ATOM 529 CE MET A 38 -0.437 -2.375 2.524 1.00 0.00 C ATOM 0 H MET A 38 -4.823 -1.254 -0.593 1.00 0.00 H new ATOM 0 HA MET A 38 -5.390 -1.401 2.288 1.00 0.00 H new ATOM 0 HB2 MET A 38 -2.619 -1.151 1.050 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.983 -0.937 2.750 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.298 -3.193 3.124 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.850 -3.506 1.491 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.012 -1.654 1.826 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.044 -1.851 3.262 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.368 -2.909 3.029 1.00 0.00 H new ATOM 539 N HIS A 39 -5.292 1.090 2.431 1.00 0.00 N ATOM 540 CA HIS A 39 -5.439 2.542 2.440 1.00 0.00 C ATOM 541 C HIS A 39 -4.114 3.224 2.114 1.00 0.00 C ATOM 542 O HIS A 39 -3.061 2.584 2.096 1.00 0.00 O ATOM 543 CB HIS A 39 -5.948 3.015 3.802 1.00 0.00 C ATOM 544 CG HIS A 39 -7.402 2.737 4.028 1.00 0.00 C ATOM 545 ND1 HIS A 39 -7.856 1.702 4.817 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.506 3.367 3.564 1.00 0.00 C ATOM 547 CE1 HIS A 39 -9.177 1.706 4.827 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.597 2.707 4.075 1.00 0.00 N ATOM 0 H HIS A 39 -5.578 0.632 3.296 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.165 2.814 1.674 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.368 2.529 4.586 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.773 4.087 3.894 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.526 4.229 2.913 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.807 1.009 5.360 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.572 2.950 3.902 1.00 0.00 H new ATOM 556 N LEU A 40 -4.172 4.525 1.855 1.00 0.00 N ATOM 557 CA LEU A 40 -2.977 5.295 1.528 1.00 0.00 C ATOM 558 C LEU A 40 -1.989 5.287 2.690 1.00 0.00 C ATOM 559 O LEU A 40 -0.839 4.869 2.557 1.00 0.00 O ATOM 560 CB LEU A 40 -3.354 6.735 1.174 1.00 0.00 C ATOM 561 CG LEU A 40 -3.574 7.025 -0.311 1.00 0.00 C ATOM 562 CD1 LEU A 40 -2.257 6.963 -1.068 1.00 0.00 C ATOM 563 CD2 LEU A 40 -4.579 6.047 -0.902 1.00 0.00 C ATOM 0 H LEU A 40 -5.034 5.070 1.865 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.500 4.829 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.265 6.994 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.568 7.396 1.540 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.978 8.033 -0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.434 7.172 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.569 7.704 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.823 5.969 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.723 6.268 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.204 5.029 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.530 6.142 -0.378 1.00 0.00 H new ATOM 575 N PRO A 41 -2.447 5.758 3.860 1.00 0.00 N ATOM 576 CA PRO A 41 -1.621 5.813 5.069 1.00 0.00 C ATOM 577 C PRO A 41 -1.324 4.427 5.632 1.00 0.00 C ATOM 578 O PRO A 41 -0.524 4.280 6.557 1.00 0.00 O ATOM 579 CB PRO A 41 -2.480 6.615 6.050 1.00 0.00 C ATOM 580 CG PRO A 41 -3.880 6.402 5.587 1.00 0.00 C ATOM 581 CD PRO A 41 -3.807 6.272 4.091 1.00 0.00 C ATOM 0 HA PRO A 41 -0.644 6.256 4.875 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.344 6.265 7.073 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.215 7.672 6.036 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.307 5.505 6.036 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.518 7.238 5.875 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.565 5.588 3.709 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.964 7.230 3.596 1.00 0.00 H new ATOM 589 N CYS A 42 -1.971 3.413 5.067 1.00 0.00 N ATOM 590 CA CYS A 42 -1.777 2.038 5.512 1.00 0.00 C ATOM 591 C CYS A 42 -0.665 1.361 4.716 1.00 0.00 C ATOM 592 O CYS A 42 0.067 0.522 5.241 1.00 0.00 O ATOM 593 CB CYS A 42 -3.077 1.245 5.369 1.00 0.00 C ATOM 594 SG CYS A 42 -4.304 1.588 6.672 1.00 0.00 S ATOM 0 H CYS A 42 -2.635 3.518 4.300 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.487 2.060 6.562 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.521 1.468 4.399 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.843 0.180 5.376 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.440 1.041 6.354 1.00 0.00 H new ATOM 599 N VAL A 43 -0.544 1.733 3.445 1.00 0.00 N ATOM 600 CA VAL A 43 0.479 1.163 2.576 1.00 0.00 C ATOM 601 C VAL A 43 1.855 1.735 2.899 1.00 0.00 C ATOM 602 O VAL A 43 2.837 0.999 2.996 1.00 0.00 O ATOM 603 CB VAL A 43 0.162 1.424 1.091 1.00 0.00 C ATOM 604 CG1 VAL A 43 1.192 0.747 0.199 1.00 0.00 C ATOM 605 CG2 VAL A 43 -1.243 0.947 0.755 1.00 0.00 C ATOM 0 H VAL A 43 -1.142 2.426 2.995 1.00 0.00 H new ATOM 0 HA VAL A 43 0.485 0.088 2.755 1.00 0.00 H new ATOM 0 HB VAL A 43 0.209 2.498 0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.952 0.942 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.183 1.141 0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.179 -0.328 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.450 1.139 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.321 -0.122 0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.966 1.482 1.371 1.00 0.00 H new ATOM 615 N ALA A 44 1.918 3.052 3.064 1.00 0.00 N ATOM 616 CA ALA A 44 3.174 3.723 3.379 1.00 0.00 C ATOM 617 C ALA A 44 3.706 3.282 4.738 1.00 0.00 C ATOM 618 O ALA A 44 4.840 2.814 4.850 1.00 0.00 O ATOM 619 CB ALA A 44 2.988 5.233 3.347 1.00 0.00 C ATOM 0 H ALA A 44 1.115 3.676 2.985 1.00 0.00 H new ATOM 0 HA ALA A 44 3.907 3.442 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.933 5.721 3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.661 5.538 2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.236 5.523 4.081 1.00 0.00 H new ATOM 625 N LYS A 45 2.882 3.434 5.769 1.00 0.00 N ATOM 626 CA LYS A 45 3.269 3.051 7.122 1.00 0.00 C ATOM 627 C LYS A 45 3.876 1.652 7.138 1.00 0.00 C ATOM 628 O LYS A 45 4.663 1.317 8.024 1.00 0.00 O ATOM 629 CB LYS A 45 2.058 3.104 8.055 1.00 0.00 C ATOM 630 CG LYS A 45 2.404 2.863 9.514 1.00 0.00 C ATOM 631 CD LYS A 45 2.953 4.118 10.172 1.00 0.00 C ATOM 632 CE LYS A 45 3.856 3.781 11.348 1.00 0.00 C ATOM 633 NZ LYS A 45 4.125 4.972 12.201 1.00 0.00 N ATOM 0 H LYS A 45 1.941 3.820 5.693 1.00 0.00 H new ATOM 0 HA LYS A 45 4.021 3.758 7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.579 4.078 7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.330 2.358 7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.515 2.530 10.049 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.139 2.062 9.587 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.511 4.700 9.439 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.127 4.742 10.513 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.391 3.000 11.950 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.799 3.379 10.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.744 4.700 12.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.592 5.708 11.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.227 5.341 12.575 1.00 0.00 H new ATOM 647 N TYR A 46 3.507 0.840 6.154 1.00 0.00 N ATOM 648 CA TYR A 46 4.015 -0.523 6.056 1.00 0.00 C ATOM 649 C TYR A 46 5.265 -0.578 5.184 1.00 0.00 C ATOM 650 O TYR A 46 6.107 -1.463 5.339 1.00 0.00 O ATOM 651 CB TYR A 46 2.941 -1.450 5.485 1.00 0.00 C ATOM 652 CG TYR A 46 3.141 -2.904 5.847 1.00 0.00 C ATOM 653 CD1 TYR A 46 3.147 -3.317 7.174 1.00 0.00 C ATOM 654 CD2 TYR A 46 3.324 -3.867 4.861 1.00 0.00 C ATOM 655 CE1 TYR A 46 3.331 -4.644 7.508 1.00 0.00 C ATOM 656 CE2 TYR A 46 3.507 -5.197 5.186 1.00 0.00 C ATOM 657 CZ TYR A 46 3.510 -5.580 6.511 1.00 0.00 C ATOM 658 OH TYR A 46 3.692 -6.904 6.841 1.00 0.00 O ATOM 0 H TYR A 46 2.858 1.102 5.412 1.00 0.00 H new ATOM 0 HA TYR A 46 4.279 -0.857 7.059 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.965 -1.126 5.845 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.929 -1.353 4.399 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.005 -2.587 7.958 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.323 -3.570 3.823 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.335 -4.947 8.544 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.647 -5.932 4.407 1.00 0.00 H new ATOM 0 HH TYR A 46 3.802 -7.433 6.023 1.00 0.00 H new ATOM 668 N PHE A 47 5.381 0.376 4.266 1.00 0.00 N ATOM 669 CA PHE A 47 6.527 0.438 3.367 1.00 0.00 C ATOM 670 C PHE A 47 7.336 1.711 3.604 1.00 0.00 C ATOM 671 O PHE A 47 8.016 2.202 2.704 1.00 0.00 O ATOM 672 CB PHE A 47 6.065 0.379 1.910 1.00 0.00 C ATOM 673 CG PHE A 47 5.250 -0.842 1.590 1.00 0.00 C ATOM 674 CD1 PHE A 47 5.486 -2.040 2.243 1.00 0.00 C ATOM 675 CD2 PHE A 47 4.248 -0.790 0.634 1.00 0.00 C ATOM 676 CE1 PHE A 47 4.738 -3.165 1.951 1.00 0.00 C ATOM 677 CE2 PHE A 47 3.496 -1.912 0.337 1.00 0.00 C ATOM 678 CZ PHE A 47 3.742 -3.101 0.996 1.00 0.00 C ATOM 0 H PHE A 47 4.695 1.117 4.125 1.00 0.00 H new ATOM 0 HA PHE A 47 7.165 -0.422 3.573 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.476 1.268 1.688 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.939 0.404 1.259 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.264 -2.096 2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.052 0.137 0.115 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.932 -4.093 2.469 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.717 -1.859 -0.409 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.157 -3.979 0.765 1.00 0.00 H new ATOM 688 N GLN A 48 7.255 2.238 4.822 1.00 0.00 N ATOM 689 CA GLN A 48 7.978 3.453 5.177 1.00 0.00 C ATOM 690 C GLN A 48 9.206 3.129 6.020 1.00 0.00 C ATOM 691 O GLN A 48 10.254 3.759 5.876 1.00 0.00 O ATOM 692 CB GLN A 48 7.061 4.413 5.937 1.00 0.00 C ATOM 693 CG GLN A 48 7.794 5.284 6.945 1.00 0.00 C ATOM 694 CD GLN A 48 8.704 6.301 6.284 1.00 0.00 C ATOM 695 OE1 GLN A 48 9.119 6.128 5.138 1.00 0.00 O ATOM 696 NE2 GLN A 48 9.020 7.370 7.006 1.00 0.00 N ATOM 0 H GLN A 48 6.696 1.843 5.578 1.00 0.00 H new ATOM 0 HA GLN A 48 8.309 3.931 4.255 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.547 5.054 5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.295 3.837 6.456 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.066 5.804 7.568 1.00 0.00 H new ATOM 0 HG3 GLN A 48 8.384 4.650 7.607 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.653 7.473 7.952 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.629 8.088 6.614 1.00 0.00 H new ATOM 755 N PRO A 53 9.578 -2.909 0.004 1.00 0.00 N ATOM 756 CA PRO A 53 8.141 -3.010 0.275 1.00 0.00 C ATOM 757 C PRO A 53 7.580 -4.384 -0.075 1.00 0.00 C ATOM 758 O PRO A 53 7.461 -4.736 -1.249 1.00 0.00 O ATOM 759 CB PRO A 53 7.533 -1.938 -0.632 1.00 0.00 C ATOM 760 CG PRO A 53 8.515 -1.778 -1.741 1.00 0.00 C ATOM 761 CD PRO A 53 9.869 -2.020 -1.133 1.00 0.00 C ATOM 0 HA PRO A 53 7.915 -2.872 1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.557 -2.245 -1.009 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.387 -1.001 -0.094 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.315 -2.487 -2.544 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.455 -0.780 -2.175 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.551 -2.487 -1.844 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.335 -1.090 -0.807 1.00 0.00 H new ATOM 769 N ARG A 54 7.238 -5.157 0.950 1.00 0.00 N ATOM 770 CA ARG A 54 6.691 -6.494 0.750 1.00 0.00 C ATOM 771 C ARG A 54 5.213 -6.538 1.128 1.00 0.00 C ATOM 772 O ARG A 54 4.846 -6.283 2.275 1.00 0.00 O ATOM 773 CB ARG A 54 7.471 -7.517 1.578 1.00 0.00 C ATOM 774 CG ARG A 54 8.940 -7.611 1.202 1.00 0.00 C ATOM 775 CD ARG A 54 9.478 -9.019 1.405 1.00 0.00 C ATOM 776 NE ARG A 54 10.764 -9.214 0.740 1.00 0.00 N ATOM 777 CZ ARG A 54 11.146 -10.368 0.204 1.00 0.00 C ATOM 778 NH1 ARG A 54 10.345 -11.424 0.254 1.00 0.00 N ATOM 779 NH2 ARG A 54 12.331 -10.468 -0.384 1.00 0.00 N ATOM 0 H ARG A 54 7.330 -4.881 1.928 1.00 0.00 H new ATOM 0 HA ARG A 54 6.786 -6.744 -0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.391 -7.255 2.633 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.010 -8.497 1.457 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.070 -7.317 0.160 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.517 -6.910 1.805 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.588 -9.215 2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.758 -9.741 1.021 1.00 0.00 H new ATOM 0 HE ARG A 54 11.403 -8.421 0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.433 -11.351 0.705 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.641 -12.309 -0.158 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.950 -9.658 -0.425 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.623 -11.355 -0.795 1.00 0.00 H new ATOM 793 N CYS A 55 4.368 -6.863 0.155 1.00 0.00 N ATOM 794 CA CYS A 55 2.930 -6.940 0.384 1.00 0.00 C ATOM 795 C CYS A 55 2.624 -7.710 1.665 1.00 0.00 C ATOM 796 O CYS A 55 3.167 -8.785 1.918 1.00 0.00 O ATOM 797 CB CYS A 55 2.239 -7.612 -0.805 1.00 0.00 C ATOM 798 SG CYS A 55 0.422 -7.655 -0.680 1.00 0.00 S ATOM 0 H CYS A 55 4.655 -7.077 -0.800 1.00 0.00 H new ATOM 0 HA CYS A 55 2.549 -5.924 0.491 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.518 -7.086 -1.718 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.611 -8.632 -0.899 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.096 -7.618 -1.872 1.00 0.00 H new ATOM 803 N PRO A 56 1.733 -7.146 2.495 1.00 0.00 N ATOM 804 CA PRO A 56 1.334 -7.762 3.764 1.00 0.00 C ATOM 805 C PRO A 56 0.495 -9.019 3.560 1.00 0.00 C ATOM 806 O PRO A 56 0.173 -9.724 4.516 1.00 0.00 O ATOM 807 CB PRO A 56 0.503 -6.669 4.442 1.00 0.00 C ATOM 808 CG PRO A 56 -0.016 -5.837 3.320 1.00 0.00 C ATOM 809 CD PRO A 56 1.047 -5.865 2.258 1.00 0.00 C ATOM 0 HA PRO A 56 2.195 -8.087 4.348 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.311 -7.096 5.027 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.111 -6.077 5.126 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.957 -6.236 2.941 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.212 -4.817 3.649 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.617 -5.819 1.258 1.00 0.00 H new ATOM 0 HD3 PRO A 56 1.730 -5.020 2.351 1.00 0.00 H new ATOM 817 N HIS A 57 0.145 -9.294 2.307 1.00 0.00 N ATOM 818 CA HIS A 57 -0.656 -10.468 1.978 1.00 0.00 C ATOM 819 C HIS A 57 0.222 -11.586 1.425 1.00 0.00 C ATOM 820 O HIS A 57 0.461 -12.591 2.096 1.00 0.00 O ATOM 821 CB HIS A 57 -1.739 -10.104 0.962 1.00 0.00 C ATOM 822 CG HIS A 57 -2.751 -11.188 0.750 1.00 0.00 C ATOM 823 ND1 HIS A 57 -2.740 -12.260 -0.076 1.00 0.00 N flip ATOM 824 CD2 HIS A 57 -3.947 -11.245 1.434 1.00 0.00 C flip ATOM 825 CE1 HIS A 57 -3.917 -12.938 0.123 1.00 0.00 C flip ATOM 826 NE2 HIS A 57 -4.627 -12.306 1.039 1.00 0.00 N flip ATOM 0 H HIS A 57 0.403 -8.721 1.504 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.131 -10.822 2.893 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.250 -9.201 1.296 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.266 -9.868 0.009 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.276 -10.533 2.177 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.214 -13.842 -0.387 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.545 -12.589 1.383 1.00 0.00 H new ATOM 834 N CYS A 58 0.698 -11.406 0.198 1.00 0.00 N ATOM 835 CA CYS A 58 1.548 -12.400 -0.447 1.00 0.00 C ATOM 836 C CYS A 58 2.980 -12.310 0.073 1.00 0.00 C ATOM 837 O CYS A 58 3.647 -13.326 0.265 1.00 0.00 O ATOM 838 CB CYS A 58 1.532 -12.209 -1.965 1.00 0.00 C ATOM 839 SG CYS A 58 1.785 -10.486 -2.499 1.00 0.00 S ATOM 0 H CYS A 58 0.510 -10.580 -0.370 1.00 0.00 H new ATOM 0 HA CYS A 58 1.154 -13.388 -0.208 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.308 -12.833 -2.407 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.578 -12.563 -2.355 1.00 0.00 H new ATOM 0 HG CYS A 58 1.038 -9.697 -1.786 1.00 0.00 H new ATOM 844 N ASN A 59 3.446 -11.086 0.298 1.00 0.00 N ATOM 845 CA ASN A 59 4.799 -10.862 0.795 1.00 0.00 C ATOM 846 C ASN A 59 5.834 -11.189 -0.277 1.00 0.00 C ATOM 847 O ASN A 59 6.792 -11.920 -0.027 1.00 0.00 O ATOM 848 CB ASN A 59 5.054 -11.712 2.042 1.00 0.00 C ATOM 849 CG ASN A 59 6.208 -11.187 2.874 1.00 0.00 C ATOM 850 OD1 ASN A 59 7.199 -11.884 3.090 1.00 0.00 O ATOM 851 ND2 ASN A 59 6.083 -9.952 3.345 1.00 0.00 N ATOM 0 H ASN A 59 2.907 -10.234 0.144 1.00 0.00 H new ATOM 0 HA ASN A 59 4.893 -9.808 1.056 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.151 -11.736 2.652 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.264 -12.739 1.742 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.827 -9.544 3.911 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.243 -9.411 3.140 1.00 0.00 H new ATOM 858 N ASP A 60 5.633 -10.643 -1.471 1.00 0.00 N ATOM 859 CA ASP A 60 6.549 -10.875 -2.582 1.00 0.00 C ATOM 860 C ASP A 60 7.232 -9.577 -3.002 1.00 0.00 C ATOM 861 O ASP A 60 8.447 -9.432 -2.865 1.00 0.00 O ATOM 862 CB ASP A 60 5.800 -11.479 -3.771 1.00 0.00 C ATOM 863 CG ASP A 60 5.111 -12.783 -3.419 1.00 0.00 C ATOM 864 OD1 ASP A 60 5.679 -13.557 -2.621 1.00 0.00 O ATOM 865 OD2 ASP A 60 4.004 -13.030 -3.942 1.00 0.00 O ATOM 0 H ASP A 60 4.844 -10.037 -1.695 1.00 0.00 H new ATOM 0 HA ASP A 60 7.314 -11.577 -2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.059 -10.765 -4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.500 -11.650 -4.589 1.00 0.00 H new ATOM 870 N TYR A 61 6.445 -8.639 -3.515 1.00 0.00 N ATOM 871 CA TYR A 61 6.975 -7.355 -3.959 1.00 0.00 C ATOM 872 C TYR A 61 5.848 -6.419 -4.386 1.00 0.00 C ATOM 873 O TYR A 61 5.061 -6.742 -5.276 1.00 0.00 O ATOM 874 CB TYR A 61 7.953 -7.556 -5.118 1.00 0.00 C ATOM 875 CG TYR A 61 8.601 -6.275 -5.592 1.00 0.00 C ATOM 876 CD1 TYR A 61 7.939 -5.419 -6.463 1.00 0.00 C ATOM 877 CD2 TYR A 61 9.876 -5.920 -5.168 1.00 0.00 C ATOM 878 CE1 TYR A 61 8.528 -4.249 -6.900 1.00 0.00 C ATOM 879 CE2 TYR A 61 10.472 -4.751 -5.598 1.00 0.00 C ATOM 880 CZ TYR A 61 9.794 -3.918 -6.464 1.00 0.00 C ATOM 881 OH TYR A 61 10.384 -2.752 -6.896 1.00 0.00 O ATOM 0 H TYR A 61 5.437 -8.743 -3.634 1.00 0.00 H new ATOM 0 HA TYR A 61 7.504 -6.900 -3.122 1.00 0.00 H new ATOM 0 HB2 TYR A 61 8.731 -8.254 -4.809 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.425 -8.017 -5.953 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.946 -5.673 -6.804 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.410 -6.570 -4.490 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.000 -3.596 -7.580 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.463 -4.490 -5.258 1.00 0.00 H new ATOM 0 HH TYR A 61 11.274 -2.668 -6.495 1.00 0.00 H new ATOM 891 N TRP A 62 5.778 -5.258 -3.745 1.00 0.00 N ATOM 892 CA TRP A 62 4.749 -4.273 -4.059 1.00 0.00 C ATOM 893 C TRP A 62 4.940 -3.713 -5.464 1.00 0.00 C ATOM 894 O TRP A 62 5.901 -2.998 -5.747 1.00 0.00 O ATOM 895 CB TRP A 62 4.773 -3.136 -3.036 1.00 0.00 C ATOM 896 CG TRP A 62 3.494 -2.358 -2.982 1.00 0.00 C ATOM 897 CD1 TRP A 62 3.315 -1.050 -3.330 1.00 0.00 C ATOM 898 CD2 TRP A 62 2.216 -2.839 -2.552 1.00 0.00 C ATOM 899 NE1 TRP A 62 2.002 -0.688 -3.143 1.00 0.00 N ATOM 900 CE2 TRP A 62 1.307 -1.769 -2.667 1.00 0.00 C ATOM 901 CE3 TRP A 62 1.749 -4.070 -2.084 1.00 0.00 C ATOM 902 CZ2 TRP A 62 -0.038 -1.894 -2.329 1.00 0.00 C ATOM 903 CZ3 TRP A 62 0.415 -4.194 -1.748 1.00 0.00 C ATOM 904 CH2 TRP A 62 -0.467 -3.111 -1.873 1.00 0.00 C ATOM 0 H TRP A 62 6.421 -4.976 -3.005 1.00 0.00 H new ATOM 0 HA TRP A 62 3.780 -4.771 -4.016 1.00 0.00 H new ATOM 0 HB2 TRP A 62 4.980 -3.549 -2.049 1.00 0.00 H new ATOM 0 HB3 TRP A 62 5.592 -2.458 -3.276 1.00 0.00 H new ATOM 0 HD1 TRP A 62 4.091 -0.396 -3.698 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.609 0.235 -3.328 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.420 -4.911 -1.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.718 -1.060 -2.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 0.045 -5.141 -1.383 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -1.505 -3.240 -1.604 1.00 0.00 H new ATOM 915 N PRO A 63 4.005 -4.045 -6.367 1.00 0.00 N ATOM 916 CA PRO A 63 4.049 -3.585 -7.758 1.00 0.00 C ATOM 917 C PRO A 63 3.780 -2.089 -7.882 1.00 0.00 C ATOM 918 O PRO A 63 4.541 -1.362 -8.522 1.00 0.00 O ATOM 919 CB PRO A 63 2.934 -4.387 -8.432 1.00 0.00 C ATOM 920 CG PRO A 63 1.988 -4.721 -7.331 1.00 0.00 C ATOM 921 CD PRO A 63 2.832 -4.894 -6.098 1.00 0.00 C ATOM 0 HA PRO A 63 5.031 -3.735 -8.207 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.444 -3.805 -9.212 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.325 -5.288 -8.905 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.254 -3.927 -7.193 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.434 -5.632 -7.556 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.302 -4.575 -5.200 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.116 -5.936 -5.948 1.00 0.00 H new ATOM 929 N HIS A 64 2.692 -1.635 -7.267 1.00 0.00 N ATOM 930 CA HIS A 64 2.323 -0.224 -7.309 1.00 0.00 C ATOM 931 C HIS A 64 3.359 0.630 -6.585 1.00 0.00 C ATOM 932 O HIS A 64 4.240 0.107 -5.903 1.00 0.00 O ATOM 933 CB HIS A 64 0.945 -0.017 -6.680 1.00 0.00 C ATOM 934 CG HIS A 64 0.254 1.226 -7.148 1.00 0.00 C ATOM 935 ND1 HIS A 64 0.264 1.644 -8.462 1.00 0.00 N ATOM 936 CD2 HIS A 64 -0.473 2.144 -6.468 1.00 0.00 C ATOM 937 CE1 HIS A 64 -0.425 2.766 -8.570 1.00 0.00 C ATOM 938 NE2 HIS A 64 -0.883 3.091 -7.375 1.00 0.00 N ATOM 0 H HIS A 64 2.051 -2.223 -6.734 1.00 0.00 H new ATOM 0 HA HIS A 64 2.288 0.086 -8.353 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.318 -0.879 -6.907 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.052 0.023 -5.596 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.690 2.134 -5.410 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.586 3.323 -9.481 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -1.449 3.912 -7.160 1.00 0.00 H new ATOM 946 N GLU A 65 3.247 1.946 -6.739 1.00 0.00 N ATOM 947 CA GLU A 65 4.175 2.871 -6.100 1.00 0.00 C ATOM 948 C GLU A 65 3.833 3.054 -4.624 1.00 0.00 C ATOM 949 O GLU A 65 2.735 2.711 -4.184 1.00 0.00 O ATOM 950 CB GLU A 65 4.151 4.225 -6.812 1.00 0.00 C ATOM 951 CG GLU A 65 2.855 4.993 -6.615 1.00 0.00 C ATOM 952 CD GLU A 65 2.556 5.938 -7.763 1.00 0.00 C ATOM 953 OE1 GLU A 65 3.035 5.677 -8.887 1.00 0.00 O ATOM 954 OE2 GLU A 65 1.844 6.938 -7.537 1.00 0.00 O ATOM 0 H GLU A 65 2.523 2.395 -7.300 1.00 0.00 H new ATOM 0 HA GLU A 65 5.177 2.448 -6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.981 4.831 -6.450 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.312 4.068 -7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.032 4.287 -6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.912 5.562 -5.687 1.00 0.00 H new ATOM 961 N ILE A 66 4.780 3.595 -3.866 1.00 0.00 N ATOM 962 CA ILE A 66 4.579 3.824 -2.441 1.00 0.00 C ATOM 963 C ILE A 66 4.073 5.238 -2.177 1.00 0.00 C ATOM 964 O ILE A 66 4.701 6.229 -2.550 1.00 0.00 O ATOM 965 CB ILE A 66 5.878 3.599 -1.645 1.00 0.00 C ATOM 966 CG1 ILE A 66 6.484 2.237 -1.990 1.00 0.00 C ATOM 967 CG2 ILE A 66 5.610 3.703 -0.151 1.00 0.00 C ATOM 968 CD1 ILE A 66 5.678 1.068 -1.469 1.00 0.00 C ATOM 0 H ILE A 66 5.694 3.883 -4.215 1.00 0.00 H new ATOM 0 HA ILE A 66 3.830 3.105 -2.109 1.00 0.00 H new ATOM 0 HB ILE A 66 6.593 4.374 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.574 2.152 -3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.493 2.183 -1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.538 3.541 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.220 4.694 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.880 2.948 0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.166 0.135 -1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.610 1.128 -0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.676 1.097 -1.898 1.00 0.00 H new ATOM 980 N PRO A 67 2.910 5.337 -1.516 1.00 0.00 N ATOM 981 CA PRO A 67 2.294 6.625 -1.185 1.00 0.00 C ATOM 982 C PRO A 67 3.077 7.385 -0.119 1.00 0.00 C ATOM 983 O PRO A 67 4.059 6.879 0.424 1.00 0.00 O ATOM 984 CB PRO A 67 0.913 6.233 -0.655 1.00 0.00 C ATOM 985 CG PRO A 67 1.082 4.843 -0.148 1.00 0.00 C ATOM 986 CD PRO A 67 2.106 4.198 -1.040 1.00 0.00 C ATOM 0 HA PRO A 67 2.261 7.294 -2.045 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.587 6.907 0.138 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.160 6.279 -1.441 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.414 4.844 0.890 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.138 4.299 -0.180 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.715 3.476 -0.496 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.639 3.663 -1.867 1.00 0.00 H new ATOM 994 N LYS A 68 2.635 8.603 0.177 1.00 0.00 N ATOM 995 CA LYS A 68 3.293 9.433 1.180 1.00 0.00 C ATOM 996 C LYS A 68 2.494 9.452 2.479 1.00 0.00 C ATOM 997 O LYS A 68 1.284 9.678 2.471 1.00 0.00 O ATOM 998 CB LYS A 68 3.468 10.859 0.655 1.00 0.00 C ATOM 999 CG LYS A 68 4.325 10.946 -0.597 1.00 0.00 C ATOM 1000 CD LYS A 68 4.994 12.305 -0.721 1.00 0.00 C ATOM 1001 CE LYS A 68 5.453 12.571 -2.147 1.00 0.00 C ATOM 1002 NZ LYS A 68 4.368 13.162 -2.977 1.00 0.00 N ATOM 0 H LYS A 68 1.824 9.037 -0.263 1.00 0.00 H new ATOM 0 HA LYS A 68 4.274 9.005 1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.486 11.282 0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.918 11.472 1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.086 10.166 -0.573 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.707 10.762 -1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.298 13.084 -0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.849 12.354 -0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.309 13.246 -2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.790 11.639 -2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.720 13.328 -3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.561 12.507 -3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.064 14.064 -2.559 1.00 0.00 H new