USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 465 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 483 THR OG1 : rot 180:sc= 1.01 USER MOD Set 1.2: A 486 THR OG1 : rot -78:sc= 2.06 USER MOD Set 2.1: A 460 CYS SG : rot -80:sc= 0.337 USER MOD Set 2.2: A 469 CYS SG : rot 126:sc= 1.43 USER MOD Set 2.3: A 471 ASN : amide:sc= -0.381 K(o=1.9,f=4.5) USER MOD Set 2.4: A 475 CYS SG : rot 141:sc= 1.08 USER MOD Set 2.5: A 479 HIS : no HD1:sc= -0.591 K(o=1.9,f=4.5) USER MOD Set 3.1: A 437 CYS SG : rot 132:sc= 0.107 USER MOD Set 3.2: A 445 CYS SG : rot -92:sc= 1.17 USER MOD Set 3.3: A 451 CYS SG : rot 177:sc= 1.24 USER MOD Set 3.4: A 455 HIS : no HE2:sc= -4.65! C(o=-2.1!,f=-4.5!) USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 LYS NZ :NH3+ -109:sc= -0.568 (180deg=-2.32!) USER MOD Single : A 440 TYR OH : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot -10:sc= 0.211 USER MOD Single : A 450 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.023) USER MOD Single : A 453 TYR OH : rot -178:sc= -0.428 USER MOD Single : A 454 MET CE :methyl -165:sc=-0.00821 (180deg=-0.511) USER MOD Single : A 461 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 HIS : no HE2:sc= -4.9! C(o=-4.9!,f=-4.6!) USER MOD Single : A 465 THR OG1 : rot -37:sc= -0.17 USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 468 ASN : amide:sc= -0.376 K(o=-0.38,f=-4.5!) USER MOD Single : A 476 MET CE :methyl 151:sc= -0.0146 (180deg=-1.72) USER MOD Single : A 478 SER OG : rot 180:sc= 0 USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 MET CE :methyl 150:sc= 0 (180deg=-0.886) USER MOD ----------------------------------------------------------------- ATOM 136 N LYS A 433 9.241 -9.974 -12.525 1.00 0.00 N ATOM 137 CA LYS A 433 9.172 -8.588 -12.079 1.00 0.00 C ATOM 138 C LYS A 433 9.018 -8.510 -10.564 1.00 0.00 C ATOM 139 O LYS A 433 7.926 -8.706 -10.031 1.00 0.00 O ATOM 140 CB LYS A 433 8.004 -7.869 -12.759 1.00 0.00 C ATOM 141 CG LYS A 433 8.131 -7.797 -14.271 1.00 0.00 C ATOM 142 CD LYS A 433 9.209 -6.813 -14.693 1.00 0.00 C ATOM 143 CE LYS A 433 8.678 -5.388 -14.733 1.00 0.00 C ATOM 144 NZ LYS A 433 9.701 -4.429 -15.233 1.00 0.00 N ATOM 0 HA LYS A 433 10.105 -8.097 -12.357 1.00 0.00 H new ATOM 0 HB2 LYS A 433 7.076 -8.381 -12.505 1.00 0.00 H new ATOM 0 HB3 LYS A 433 7.930 -6.857 -12.360 1.00 0.00 H new ATOM 0 HG2 LYS A 433 8.365 -8.786 -14.665 1.00 0.00 H new ATOM 0 HG3 LYS A 433 7.176 -7.500 -14.704 1.00 0.00 H new ATOM 0 HD2 LYS A 433 10.048 -6.871 -13.999 1.00 0.00 H new ATOM 0 HD3 LYS A 433 9.590 -7.088 -15.677 1.00 0.00 H new ATOM 0 HE2 LYS A 433 7.797 -5.346 -15.374 1.00 0.00 H new ATOM 0 HE3 LYS A 433 8.359 -5.091 -13.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 9.301 -3.469 -15.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 10.531 -4.450 -14.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 9.987 -4.697 -16.196 1.00 0.00 H new ATOM 158 N ARG A 434 10.118 -8.221 -9.876 1.00 0.00 N ATOM 159 CA ARG A 434 10.104 -8.117 -8.421 1.00 0.00 C ATOM 160 C ARG A 434 9.632 -6.735 -7.980 1.00 0.00 C ATOM 161 O ARG A 434 10.106 -6.198 -6.979 1.00 0.00 O ATOM 162 CB ARG A 434 11.497 -8.397 -7.856 1.00 0.00 C ATOM 163 CG ARG A 434 12.624 -7.834 -8.706 1.00 0.00 C ATOM 164 CD ARG A 434 12.371 -6.380 -9.075 1.00 0.00 C ATOM 165 NE ARG A 434 13.605 -5.681 -9.424 1.00 0.00 N ATOM 166 CZ ARG A 434 14.261 -5.873 -10.563 1.00 0.00 C ATOM 167 NH1 ARG A 434 13.803 -6.737 -11.458 1.00 0.00 N ATOM 168 NH2 ARG A 434 15.377 -5.198 -10.808 1.00 0.00 N ATOM 0 H ARG A 434 11.030 -8.055 -10.302 1.00 0.00 H new ATOM 0 HA ARG A 434 9.407 -8.860 -8.034 1.00 0.00 H new ATOM 0 HB2 ARG A 434 11.564 -7.975 -6.853 1.00 0.00 H new ATOM 0 HB3 ARG A 434 11.630 -9.474 -7.758 1.00 0.00 H new ATOM 0 HG2 ARG A 434 13.566 -7.914 -8.163 1.00 0.00 H new ATOM 0 HG3 ARG A 434 12.728 -8.428 -9.614 1.00 0.00 H new ATOM 0 HD2 ARG A 434 11.679 -6.335 -9.916 1.00 0.00 H new ATOM 0 HD3 ARG A 434 11.891 -5.872 -8.239 1.00 0.00 H new ATOM 0 HE ARG A 434 13.984 -5.009 -8.757 1.00 0.00 H new ATOM 0 HH11 ARG A 434 12.945 -7.256 -11.273 1.00 0.00 H new ATOM 0 HH12 ARG A 434 14.309 -6.882 -12.332 1.00 0.00 H new ATOM 0 HH21 ARG A 434 15.731 -4.532 -10.122 1.00 0.00 H new ATOM 0 HH22 ARG A 434 15.881 -5.346 -11.683 1.00 0.00 H new ATOM 182 N GLU A 435 8.697 -6.165 -8.734 1.00 0.00 N ATOM 183 CA GLU A 435 8.163 -4.845 -8.420 1.00 0.00 C ATOM 184 C GLU A 435 6.681 -4.928 -8.065 1.00 0.00 C ATOM 185 O GLU A 435 5.980 -5.848 -8.488 1.00 0.00 O ATOM 186 CB GLU A 435 8.363 -3.895 -9.603 1.00 0.00 C ATOM 187 CG GLU A 435 8.354 -2.427 -9.212 1.00 0.00 C ATOM 188 CD GLU A 435 7.916 -1.524 -10.349 1.00 0.00 C ATOM 189 OE1 GLU A 435 6.924 -1.862 -11.028 1.00 0.00 O ATOM 190 OE2 GLU A 435 8.566 -0.479 -10.559 1.00 0.00 O ATOM 0 H GLU A 435 8.294 -6.596 -9.566 1.00 0.00 H new ATOM 0 HA GLU A 435 8.705 -4.458 -7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 435 9.311 -4.127 -10.089 1.00 0.00 H new ATOM 0 HB3 GLU A 435 7.577 -4.072 -10.337 1.00 0.00 H new ATOM 0 HG2 GLU A 435 7.686 -2.285 -8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 435 9.352 -2.136 -8.885 1.00 0.00 H new ATOM 197 N LEU A 436 6.211 -3.962 -7.284 1.00 0.00 N ATOM 198 CA LEU A 436 4.813 -3.924 -6.870 1.00 0.00 C ATOM 199 C LEU A 436 3.895 -3.711 -8.070 1.00 0.00 C ATOM 200 O LEU A 436 3.967 -2.683 -8.745 1.00 0.00 O ATOM 201 CB LEU A 436 4.594 -2.813 -5.842 1.00 0.00 C ATOM 202 CG LEU A 436 3.143 -2.546 -5.440 1.00 0.00 C ATOM 203 CD1 LEU A 436 2.563 -3.747 -4.709 1.00 0.00 C ATOM 204 CD2 LEU A 436 3.050 -1.297 -4.576 1.00 0.00 C ATOM 0 H LEU A 436 6.778 -3.194 -6.924 1.00 0.00 H new ATOM 0 HA LEU A 436 4.569 -4.884 -6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 436 5.159 -3.061 -4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 436 5.016 -1.890 -6.239 1.00 0.00 H new ATOM 0 HG LEU A 436 2.559 -2.381 -6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 436 1.530 -3.539 -4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 436 2.595 -4.620 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 436 3.148 -3.944 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 436 2.010 -1.123 -4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 436 3.647 -1.433 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 436 3.426 -0.440 -5.134 1.00 0.00 H new ATOM 216 N CYS A 437 3.032 -4.687 -8.329 1.00 0.00 N ATOM 217 CA CYS A 437 2.099 -4.607 -9.446 1.00 0.00 C ATOM 218 C CYS A 437 1.341 -3.283 -9.427 1.00 0.00 C ATOM 219 O CYS A 437 0.594 -2.995 -8.492 1.00 0.00 O ATOM 220 CB CYS A 437 1.110 -5.774 -9.396 1.00 0.00 C ATOM 221 SG CYS A 437 0.192 -6.036 -10.948 1.00 0.00 S ATOM 0 H CYS A 437 2.959 -5.543 -7.780 1.00 0.00 H new ATOM 0 HA CYS A 437 2.672 -4.664 -10.371 1.00 0.00 H new ATOM 0 HB2 CYS A 437 1.653 -6.686 -9.149 1.00 0.00 H new ATOM 0 HB3 CYS A 437 0.398 -5.599 -8.590 1.00 0.00 H new ATOM 0 HG CYS A 437 0.227 -7.296 -11.265 1.00 0.00 H new ATOM 226 N LYS A 438 1.539 -2.480 -10.467 1.00 0.00 N ATOM 227 CA LYS A 438 0.874 -1.186 -10.573 1.00 0.00 C ATOM 228 C LYS A 438 -0.642 -1.353 -10.586 1.00 0.00 C ATOM 229 O LYS A 438 -1.385 -0.379 -10.457 1.00 0.00 O ATOM 230 CB LYS A 438 1.329 -0.458 -11.840 1.00 0.00 C ATOM 231 CG LYS A 438 2.792 -0.054 -11.817 1.00 0.00 C ATOM 232 CD LYS A 438 3.036 1.105 -10.865 1.00 0.00 C ATOM 233 CE LYS A 438 2.575 2.425 -11.464 1.00 0.00 C ATOM 234 NZ LYS A 438 1.152 2.717 -11.134 1.00 0.00 N ATOM 0 H LYS A 438 2.155 -2.702 -11.249 1.00 0.00 H new ATOM 0 HA LYS A 438 1.149 -0.592 -9.702 1.00 0.00 H new ATOM 0 HB2 LYS A 438 1.152 -1.101 -12.702 1.00 0.00 H new ATOM 0 HB3 LYS A 438 0.717 0.433 -11.976 1.00 0.00 H new ATOM 0 HG2 LYS A 438 3.401 -0.907 -11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 438 3.109 0.226 -12.822 1.00 0.00 H new ATOM 0 HD2 LYS A 438 2.508 0.925 -9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 438 4.098 1.164 -10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 438 3.207 3.232 -11.093 1.00 0.00 H new ATOM 0 HE3 LYS A 438 2.698 2.395 -12.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 0.569 2.616 -11.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 0.820 2.050 -10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 1.072 3.689 -10.774 1.00 0.00 H new ATOM 248 N PHE A 439 -1.095 -2.592 -10.741 1.00 0.00 N ATOM 249 CA PHE A 439 -2.523 -2.886 -10.770 1.00 0.00 C ATOM 250 C PHE A 439 -2.995 -3.426 -9.423 1.00 0.00 C ATOM 251 O PHE A 439 -3.996 -2.965 -8.874 1.00 0.00 O ATOM 252 CB PHE A 439 -2.835 -3.898 -11.874 1.00 0.00 C ATOM 253 CG PHE A 439 -2.491 -3.408 -13.251 1.00 0.00 C ATOM 254 CD1 PHE A 439 -3.117 -2.290 -13.780 1.00 0.00 C ATOM 255 CD2 PHE A 439 -1.542 -4.064 -14.018 1.00 0.00 C ATOM 256 CE1 PHE A 439 -2.803 -1.836 -15.046 1.00 0.00 C ATOM 257 CE2 PHE A 439 -1.223 -3.614 -15.286 1.00 0.00 C ATOM 258 CZ PHE A 439 -1.855 -2.499 -15.801 1.00 0.00 C ATOM 0 H PHE A 439 -0.494 -3.409 -10.849 1.00 0.00 H new ATOM 0 HA PHE A 439 -3.055 -1.957 -10.976 1.00 0.00 H new ATOM 0 HB2 PHE A 439 -2.286 -4.819 -11.677 1.00 0.00 H new ATOM 0 HB3 PHE A 439 -3.896 -4.146 -11.840 1.00 0.00 H new ATOM 0 HD1 PHE A 439 -3.859 -1.768 -13.195 1.00 0.00 H new ATOM 0 HD2 PHE A 439 -1.046 -4.937 -13.621 1.00 0.00 H new ATOM 0 HE1 PHE A 439 -3.298 -0.963 -15.445 1.00 0.00 H new ATOM 0 HE2 PHE A 439 -0.480 -4.134 -15.873 1.00 0.00 H new ATOM 0 HZ PHE A 439 -1.609 -2.146 -16.792 1.00 0.00 H new ATOM 268 N TYR A 440 -2.267 -4.404 -8.896 1.00 0.00 N ATOM 269 CA TYR A 440 -2.611 -5.009 -7.615 1.00 0.00 C ATOM 270 C TYR A 440 -2.914 -3.938 -6.571 1.00 0.00 C ATOM 271 O TYR A 440 -3.797 -4.108 -5.730 1.00 0.00 O ATOM 272 CB TYR A 440 -1.471 -5.904 -7.127 1.00 0.00 C ATOM 273 CG TYR A 440 -1.824 -6.722 -5.905 1.00 0.00 C ATOM 274 CD1 TYR A 440 -2.850 -7.659 -5.945 1.00 0.00 C ATOM 275 CD2 TYR A 440 -1.134 -6.557 -4.711 1.00 0.00 C ATOM 276 CE1 TYR A 440 -3.176 -8.408 -4.831 1.00 0.00 C ATOM 277 CE2 TYR A 440 -1.453 -7.302 -3.592 1.00 0.00 C ATOM 278 CZ TYR A 440 -2.475 -8.226 -3.657 1.00 0.00 C ATOM 279 OH TYR A 440 -2.796 -8.970 -2.545 1.00 0.00 O ATOM 0 H TYR A 440 -1.434 -4.795 -9.337 1.00 0.00 H new ATOM 0 HA TYR A 440 -3.505 -5.616 -7.757 1.00 0.00 H new ATOM 0 HB2 TYR A 440 -1.179 -6.577 -7.933 1.00 0.00 H new ATOM 0 HB3 TYR A 440 -0.604 -5.283 -6.900 1.00 0.00 H new ATOM 0 HD1 TYR A 440 -3.401 -7.804 -6.862 1.00 0.00 H new ATOM 0 HD2 TYR A 440 -0.334 -5.834 -4.656 1.00 0.00 H new ATOM 0 HE1 TYR A 440 -3.976 -9.132 -4.879 1.00 0.00 H new ATOM 0 HE2 TYR A 440 -0.905 -7.162 -2.672 1.00 0.00 H new ATOM 0 HH TYR A 440 -2.207 -8.720 -1.803 1.00 0.00 H new ATOM 289 N ILE A 441 -2.176 -2.835 -6.633 1.00 0.00 N ATOM 290 CA ILE A 441 -2.367 -1.735 -5.695 1.00 0.00 C ATOM 291 C ILE A 441 -3.847 -1.499 -5.418 1.00 0.00 C ATOM 292 O ILE A 441 -4.234 -1.151 -4.302 1.00 0.00 O ATOM 293 CB ILE A 441 -1.740 -0.431 -6.222 1.00 0.00 C ATOM 294 CG1 ILE A 441 -0.236 -0.613 -6.439 1.00 0.00 C ATOM 295 CG2 ILE A 441 -2.006 0.713 -5.255 1.00 0.00 C ATOM 296 CD1 ILE A 441 0.380 0.449 -7.323 1.00 0.00 C ATOM 0 H ILE A 441 -1.441 -2.679 -7.322 1.00 0.00 H new ATOM 0 HA ILE A 441 -1.868 -2.020 -4.769 1.00 0.00 H new ATOM 0 HB ILE A 441 -2.199 -0.186 -7.180 1.00 0.00 H new ATOM 0 HG12 ILE A 441 0.266 -0.605 -5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 441 -0.057 -1.592 -6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 441 -1.557 1.628 -5.641 1.00 0.00 H new ATOM 0 HG22 ILE A 441 -3.081 0.855 -5.146 1.00 0.00 H new ATOM 0 HG23 ILE A 441 -1.571 0.477 -4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 441 1.447 0.257 -7.433 1.00 0.00 H new ATOM 0 HD12 ILE A 441 -0.096 0.427 -8.304 1.00 0.00 H new ATOM 0 HD13 ILE A 441 0.233 1.430 -6.870 1.00 0.00 H new ATOM 308 N THR A 442 -4.674 -1.693 -6.441 1.00 0.00 N ATOM 309 CA THR A 442 -6.112 -1.502 -6.309 1.00 0.00 C ATOM 310 C THR A 442 -6.830 -2.835 -6.135 1.00 0.00 C ATOM 311 O THR A 442 -7.841 -2.921 -5.439 1.00 0.00 O ATOM 312 CB THR A 442 -6.697 -0.772 -7.533 1.00 0.00 C ATOM 313 OG1 THR A 442 -6.227 -1.384 -8.739 1.00 0.00 O ATOM 314 CG2 THR A 442 -6.311 0.699 -7.521 1.00 0.00 C ATOM 0 H THR A 442 -4.371 -1.983 -7.371 1.00 0.00 H new ATOM 0 HA THR A 442 -6.269 -0.889 -5.421 1.00 0.00 H new ATOM 0 HB THR A 442 -7.784 -0.846 -7.488 1.00 0.00 H new ATOM 0 HG1 THR A 442 -5.516 -2.024 -8.526 1.00 0.00 H new ATOM 0 HG21 THR A 442 -6.735 1.194 -8.395 1.00 0.00 H new ATOM 0 HG22 THR A 442 -6.695 1.169 -6.616 1.00 0.00 H new ATOM 0 HG23 THR A 442 -5.225 0.790 -7.544 1.00 0.00 H new ATOM 322 N GLY A 443 -6.301 -3.875 -6.773 1.00 0.00 N ATOM 323 CA GLY A 443 -6.905 -5.191 -6.676 1.00 0.00 C ATOM 324 C GLY A 443 -7.390 -5.707 -8.016 1.00 0.00 C ATOM 325 O GLY A 443 -7.784 -6.867 -8.137 1.00 0.00 O ATOM 0 H GLY A 443 -5.465 -3.829 -7.355 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -6.179 -5.891 -6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -7.743 -5.152 -5.980 1.00 0.00 H new ATOM 329 N PHE A 444 -7.365 -4.843 -9.025 1.00 0.00 N ATOM 330 CA PHE A 444 -7.808 -5.217 -10.363 1.00 0.00 C ATOM 331 C PHE A 444 -6.617 -5.537 -11.261 1.00 0.00 C ATOM 332 O PHE A 444 -6.029 -4.646 -11.874 1.00 0.00 O ATOM 333 CB PHE A 444 -8.639 -4.090 -10.981 1.00 0.00 C ATOM 334 CG PHE A 444 -8.860 -4.250 -12.458 1.00 0.00 C ATOM 335 CD1 PHE A 444 -9.325 -5.447 -12.978 1.00 0.00 C ATOM 336 CD2 PHE A 444 -8.603 -3.202 -13.328 1.00 0.00 C ATOM 337 CE1 PHE A 444 -9.530 -5.597 -14.336 1.00 0.00 C ATOM 338 CE2 PHE A 444 -8.806 -3.346 -14.687 1.00 0.00 C ATOM 339 CZ PHE A 444 -9.269 -4.546 -15.192 1.00 0.00 C ATOM 0 H PHE A 444 -7.043 -3.879 -8.942 1.00 0.00 H new ATOM 0 HA PHE A 444 -8.426 -6.111 -10.278 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -9.606 -4.045 -10.480 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -8.140 -3.138 -10.797 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -9.530 -6.273 -12.313 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -8.240 -2.262 -12.939 1.00 0.00 H new ATOM 0 HE1 PHE A 444 -9.894 -6.535 -14.727 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -8.603 -2.521 -15.354 1.00 0.00 H new ATOM 0 HZ PHE A 444 -9.426 -4.661 -16.254 1.00 0.00 H new ATOM 349 N CYS A 445 -6.266 -6.817 -11.334 1.00 0.00 N ATOM 350 CA CYS A 445 -5.145 -7.257 -12.155 1.00 0.00 C ATOM 351 C CYS A 445 -5.533 -8.466 -13.002 1.00 0.00 C ATOM 352 O CYS A 445 -5.675 -9.576 -12.490 1.00 0.00 O ATOM 353 CB CYS A 445 -3.944 -7.604 -11.272 1.00 0.00 C ATOM 354 SG CYS A 445 -2.661 -8.585 -12.115 1.00 0.00 S ATOM 0 H CYS A 445 -6.742 -7.568 -10.834 1.00 0.00 H new ATOM 0 HA CYS A 445 -4.873 -6.439 -12.822 1.00 0.00 H new ATOM 0 HB2 CYS A 445 -3.497 -6.680 -10.905 1.00 0.00 H new ATOM 0 HB3 CYS A 445 -4.295 -8.157 -10.400 1.00 0.00 H new ATOM 0 HG CYS A 445 -2.893 -9.851 -11.932 1.00 0.00 H new ATOM 359 N ALA A 446 -5.703 -8.241 -14.301 1.00 0.00 N ATOM 360 CA ALA A 446 -6.072 -9.310 -15.220 1.00 0.00 C ATOM 361 C ALA A 446 -5.347 -10.606 -14.873 1.00 0.00 C ATOM 362 O ALA A 446 -5.968 -11.584 -14.457 1.00 0.00 O ATOM 363 CB ALA A 446 -5.770 -8.902 -16.654 1.00 0.00 C ATOM 0 H ALA A 446 -5.591 -7.327 -14.740 1.00 0.00 H new ATOM 0 HA ALA A 446 -7.143 -9.486 -15.122 1.00 0.00 H new ATOM 0 HB1 ALA A 446 -6.051 -9.710 -17.329 1.00 0.00 H new ATOM 0 HB2 ALA A 446 -6.338 -8.006 -16.905 1.00 0.00 H new ATOM 0 HB3 ALA A 446 -4.704 -8.697 -16.757 1.00 0.00 H new ATOM 369 N ARG A 447 -4.029 -10.607 -15.048 1.00 0.00 N ATOM 370 CA ARG A 447 -3.220 -11.783 -14.756 1.00 0.00 C ATOM 371 C ARG A 447 -3.211 -12.078 -13.259 1.00 0.00 C ATOM 372 O ARG A 447 -2.498 -11.430 -12.493 1.00 0.00 O ATOM 373 CB ARG A 447 -1.788 -11.581 -15.256 1.00 0.00 C ATOM 374 CG ARG A 447 -1.594 -11.959 -16.715 1.00 0.00 C ATOM 375 CD ARG A 447 -0.199 -11.600 -17.202 1.00 0.00 C ATOM 376 NE ARG A 447 -0.161 -10.281 -17.829 1.00 0.00 N ATOM 377 CZ ARG A 447 -0.339 -10.081 -19.130 1.00 0.00 C ATOM 378 NH1 ARG A 447 -0.567 -11.108 -19.937 1.00 0.00 N ATOM 379 NH2 ARG A 447 -0.290 -8.851 -19.626 1.00 0.00 N ATOM 0 H ARG A 447 -3.499 -9.806 -15.391 1.00 0.00 H new ATOM 0 HA ARG A 447 -3.661 -12.634 -15.274 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.508 -10.536 -15.120 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -1.111 -12.175 -14.642 1.00 0.00 H new ATOM 0 HG2 ARG A 447 -1.760 -13.029 -16.840 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -2.337 -11.447 -17.327 1.00 0.00 H new ATOM 0 HD2 ARG A 447 0.495 -11.622 -16.362 1.00 0.00 H new ATOM 0 HD3 ARG A 447 0.140 -12.351 -17.916 1.00 0.00 H new ATOM 0 HE ARG A 447 0.012 -9.470 -17.235 1.00 0.00 H new ATOM 0 HH11 ARG A 447 -0.606 -12.055 -19.559 1.00 0.00 H new ATOM 0 HH12 ARG A 447 -0.703 -10.951 -20.936 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -0.116 -8.058 -19.008 1.00 0.00 H new ATOM 0 HH22 ARG A 447 -0.427 -8.698 -20.625 1.00 0.00 H new ATOM 393 N ALA A 448 -4.007 -13.061 -12.850 1.00 0.00 N ATOM 394 CA ALA A 448 -4.089 -13.442 -11.445 1.00 0.00 C ATOM 395 C ALA A 448 -2.949 -14.381 -11.064 1.00 0.00 C ATOM 396 O ALA A 448 -1.996 -13.975 -10.399 1.00 0.00 O ATOM 397 CB ALA A 448 -5.433 -14.095 -11.153 1.00 0.00 C ATOM 0 H ALA A 448 -4.604 -13.607 -13.471 1.00 0.00 H new ATOM 0 HA ALA A 448 -3.998 -12.538 -10.843 1.00 0.00 H new ATOM 0 HB1 ALA A 448 -5.481 -14.375 -10.101 1.00 0.00 H new ATOM 0 HB2 ALA A 448 -6.235 -13.393 -11.379 1.00 0.00 H new ATOM 0 HB3 ALA A 448 -5.546 -14.986 -11.770 1.00 0.00 H new ATOM 403 N GLU A 449 -3.055 -15.636 -11.488 1.00 0.00 N ATOM 404 CA GLU A 449 -2.033 -16.632 -11.188 1.00 0.00 C ATOM 405 C GLU A 449 -0.858 -16.512 -12.154 1.00 0.00 C ATOM 406 O GLU A 449 0.161 -17.184 -11.995 1.00 0.00 O ATOM 407 CB GLU A 449 -2.625 -18.041 -11.259 1.00 0.00 C ATOM 408 CG GLU A 449 -4.100 -18.100 -10.900 1.00 0.00 C ATOM 409 CD GLU A 449 -5.002 -17.952 -12.111 1.00 0.00 C ATOM 410 OE1 GLU A 449 -4.775 -18.666 -13.110 1.00 0.00 O ATOM 411 OE2 GLU A 449 -5.934 -17.123 -12.058 1.00 0.00 O ATOM 0 H GLU A 449 -3.838 -15.987 -12.040 1.00 0.00 H new ATOM 0 HA GLU A 449 -1.670 -16.450 -10.176 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -2.489 -18.433 -12.267 1.00 0.00 H new ATOM 0 HB3 GLU A 449 -2.069 -18.694 -10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 449 -4.312 -19.049 -10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 449 -4.328 -17.311 -10.184 1.00 0.00 H new ATOM 418 N ASN A 450 -1.009 -15.653 -13.157 1.00 0.00 N ATOM 419 CA ASN A 450 0.039 -15.446 -14.150 1.00 0.00 C ATOM 420 C ASN A 450 0.629 -14.044 -14.034 1.00 0.00 C ATOM 421 O ASN A 450 1.188 -13.512 -14.994 1.00 0.00 O ATOM 422 CB ASN A 450 -0.515 -15.663 -15.560 1.00 0.00 C ATOM 423 CG ASN A 450 0.546 -16.144 -16.531 1.00 0.00 C ATOM 424 OD1 ASN A 450 1.112 -17.225 -16.363 1.00 0.00 O ATOM 425 ND2 ASN A 450 0.820 -15.342 -17.552 1.00 0.00 N ATOM 0 H ASN A 450 -1.846 -15.089 -13.304 1.00 0.00 H new ATOM 0 HA ASN A 450 0.831 -16.171 -13.962 1.00 0.00 H new ATOM 0 HB2 ASN A 450 -1.325 -16.392 -15.521 1.00 0.00 H new ATOM 0 HB3 ASN A 450 -0.943 -14.730 -15.927 1.00 0.00 H new ATOM 0 HD21 ASN A 450 1.525 -15.612 -18.238 1.00 0.00 H new ATOM 0 HD22 ASN A 450 0.326 -14.455 -17.651 1.00 0.00 H new ATOM 432 N CYS A 451 0.501 -13.450 -12.853 1.00 0.00 N ATOM 433 CA CYS A 451 1.021 -12.110 -12.610 1.00 0.00 C ATOM 434 C CYS A 451 2.542 -12.129 -12.491 1.00 0.00 C ATOM 435 O CYS A 451 3.110 -12.714 -11.568 1.00 0.00 O ATOM 436 CB CYS A 451 0.407 -11.525 -11.336 1.00 0.00 C ATOM 437 SG CYS A 451 0.963 -9.834 -10.951 1.00 0.00 S ATOM 0 H CYS A 451 0.041 -13.876 -12.048 1.00 0.00 H new ATOM 0 HA CYS A 451 0.748 -11.483 -13.459 1.00 0.00 H new ATOM 0 HB2 CYS A 451 -0.678 -11.525 -11.435 1.00 0.00 H new ATOM 0 HB3 CYS A 451 0.650 -12.176 -10.496 1.00 0.00 H new ATOM 0 HG CYS A 451 0.345 -9.405 -9.891 1.00 0.00 H new ATOM 442 N PRO A 452 3.218 -11.476 -13.447 1.00 0.00 N ATOM 443 CA PRO A 452 4.682 -11.403 -13.472 1.00 0.00 C ATOM 444 C PRO A 452 5.239 -10.535 -12.348 1.00 0.00 C ATOM 445 O PRO A 452 6.452 -10.454 -12.156 1.00 0.00 O ATOM 446 CB PRO A 452 4.983 -10.771 -14.833 1.00 0.00 C ATOM 447 CG PRO A 452 3.758 -9.992 -15.168 1.00 0.00 C ATOM 448 CD PRO A 452 2.606 -10.757 -14.577 1.00 0.00 C ATOM 0 HA PRO A 452 5.141 -12.382 -13.330 1.00 0.00 H new ATOM 0 HB2 PRO A 452 5.861 -10.127 -14.785 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.187 -11.532 -15.586 1.00 0.00 H new ATOM 0 HG2 PRO A 452 3.811 -8.985 -14.754 1.00 0.00 H new ATOM 0 HG3 PRO A 452 3.645 -9.888 -16.247 1.00 0.00 H new ATOM 0 HD2 PRO A 452 1.809 -10.091 -14.245 1.00 0.00 H new ATOM 0 HD3 PRO A 452 2.167 -11.444 -15.300 1.00 0.00 H new ATOM 456 N TYR A 453 4.344 -9.889 -11.608 1.00 0.00 N ATOM 457 CA TYR A 453 4.746 -9.025 -10.504 1.00 0.00 C ATOM 458 C TYR A 453 4.444 -9.683 -9.161 1.00 0.00 C ATOM 459 O TYR A 453 4.038 -10.843 -9.102 1.00 0.00 O ATOM 460 CB TYR A 453 4.031 -7.677 -10.597 1.00 0.00 C ATOM 461 CG TYR A 453 4.448 -6.851 -11.793 1.00 0.00 C ATOM 462 CD1 TYR A 453 3.867 -7.054 -13.039 1.00 0.00 C ATOM 463 CD2 TYR A 453 5.424 -5.869 -11.678 1.00 0.00 C ATOM 464 CE1 TYR A 453 4.245 -6.303 -14.134 1.00 0.00 C ATOM 465 CE2 TYR A 453 5.807 -5.112 -12.768 1.00 0.00 C ATOM 466 CZ TYR A 453 5.215 -5.333 -13.994 1.00 0.00 C ATOM 467 OH TYR A 453 5.596 -4.582 -15.083 1.00 0.00 O ATOM 0 H TYR A 453 3.336 -9.947 -11.753 1.00 0.00 H new ATOM 0 HA TYR A 453 5.822 -8.863 -10.575 1.00 0.00 H new ATOM 0 HB2 TYR A 453 2.955 -7.848 -10.642 1.00 0.00 H new ATOM 0 HB3 TYR A 453 4.226 -7.108 -9.688 1.00 0.00 H new ATOM 0 HD1 TYR A 453 3.107 -7.812 -13.153 1.00 0.00 H new ATOM 0 HD2 TYR A 453 5.891 -5.695 -10.720 1.00 0.00 H new ATOM 0 HE1 TYR A 453 3.783 -6.474 -15.095 1.00 0.00 H new ATOM 0 HE2 TYR A 453 6.566 -4.351 -12.661 1.00 0.00 H new ATOM 0 HH TYR A 453 6.311 -3.965 -14.821 1.00 0.00 H new ATOM 477 N MET A 454 4.646 -8.931 -8.083 1.00 0.00 N ATOM 478 CA MET A 454 4.393 -9.439 -6.740 1.00 0.00 C ATOM 479 C MET A 454 3.042 -8.957 -6.221 1.00 0.00 C ATOM 480 O MET A 454 2.586 -7.866 -6.566 1.00 0.00 O ATOM 481 CB MET A 454 5.505 -8.996 -5.787 1.00 0.00 C ATOM 482 CG MET A 454 6.800 -9.773 -5.961 1.00 0.00 C ATOM 483 SD MET A 454 6.771 -11.368 -5.119 1.00 0.00 S ATOM 484 CE MET A 454 7.775 -11.009 -3.680 1.00 0.00 C ATOM 0 H MET A 454 4.984 -7.969 -8.114 1.00 0.00 H new ATOM 0 HA MET A 454 4.376 -10.528 -6.788 1.00 0.00 H new ATOM 0 HB2 MET A 454 5.704 -7.935 -5.942 1.00 0.00 H new ATOM 0 HB3 MET A 454 5.158 -9.109 -4.760 1.00 0.00 H new ATOM 0 HG2 MET A 454 6.985 -9.931 -7.024 1.00 0.00 H new ATOM 0 HG3 MET A 454 7.630 -9.179 -5.578 1.00 0.00 H new ATOM 0 HE1 MET A 454 8.074 -11.942 -3.203 1.00 0.00 H new ATOM 0 HE2 MET A 454 8.664 -10.457 -3.985 1.00 0.00 H new ATOM 0 HE3 MET A 454 7.199 -10.409 -2.975 1.00 0.00 H new ATOM 494 N HIS A 455 2.404 -9.778 -5.392 1.00 0.00 N ATOM 495 CA HIS A 455 1.104 -9.435 -4.826 1.00 0.00 C ATOM 496 C HIS A 455 1.129 -9.543 -3.305 1.00 0.00 C ATOM 497 O HIS A 455 1.192 -8.535 -2.602 1.00 0.00 O ATOM 498 CB HIS A 455 0.019 -10.348 -5.397 1.00 0.00 C ATOM 499 CG HIS A 455 -0.494 -9.907 -6.733 1.00 0.00 C ATOM 500 ND1 HIS A 455 -1.362 -10.662 -7.493 1.00 0.00 N ATOM 501 CD2 HIS A 455 -0.257 -8.779 -7.444 1.00 0.00 C ATOM 502 CE1 HIS A 455 -1.636 -10.019 -8.614 1.00 0.00 C ATOM 503 NE2 HIS A 455 -0.978 -8.874 -8.609 1.00 0.00 N ATOM 0 H HIS A 455 2.766 -10.685 -5.098 1.00 0.00 H new ATOM 0 HA HIS A 455 0.878 -8.403 -5.095 1.00 0.00 H new ATOM 0 HB2 HIS A 455 0.416 -11.359 -5.485 1.00 0.00 H new ATOM 0 HB3 HIS A 455 -0.813 -10.393 -4.694 1.00 0.00 H new ATOM 0 HD1 HIS A 455 -1.734 -11.575 -7.231 1.00 0.00 H new ATOM 0 HD2 HIS A 455 0.380 -7.958 -7.150 1.00 0.00 H new ATOM 0 HE1 HIS A 455 -2.287 -10.370 -9.401 1.00 0.00 H new ATOM 511 N GLY A 456 1.077 -10.773 -2.802 1.00 0.00 N ATOM 512 CA GLY A 456 1.093 -10.990 -1.367 1.00 0.00 C ATOM 513 C GLY A 456 2.492 -10.927 -0.787 1.00 0.00 C ATOM 514 O GLY A 456 2.805 -10.036 0.002 1.00 0.00 O ATOM 0 H GLY A 456 1.024 -11.623 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 456 0.468 -10.240 -0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 456 0.654 -11.963 -1.145 1.00 0.00 H new ATOM 518 N ASP A 457 3.335 -11.877 -1.178 1.00 0.00 N ATOM 519 CA ASP A 457 4.709 -11.927 -0.691 1.00 0.00 C ATOM 520 C ASP A 457 5.258 -10.521 -0.468 1.00 0.00 C ATOM 521 O ASP A 457 6.025 -10.283 0.466 1.00 0.00 O ATOM 522 CB ASP A 457 5.596 -12.683 -1.680 1.00 0.00 C ATOM 523 CG ASP A 457 5.336 -14.177 -1.667 1.00 0.00 C ATOM 524 OD1 ASP A 457 4.199 -14.583 -1.988 1.00 0.00 O ATOM 525 OD2 ASP A 457 6.267 -14.939 -1.335 1.00 0.00 O ATOM 0 H ASP A 457 3.091 -12.622 -1.830 1.00 0.00 H new ATOM 0 HA ASP A 457 4.711 -12.454 0.263 1.00 0.00 H new ATOM 0 HB2 ASP A 457 5.426 -12.296 -2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 457 6.643 -12.497 -1.440 1.00 0.00 H new ATOM 530 N PHE A 458 4.862 -9.593 -1.332 1.00 0.00 N ATOM 531 CA PHE A 458 5.316 -8.210 -1.232 1.00 0.00 C ATOM 532 C PHE A 458 4.977 -7.625 0.136 1.00 0.00 C ATOM 533 O PHE A 458 3.826 -7.628 0.573 1.00 0.00 O ATOM 534 CB PHE A 458 4.680 -7.361 -2.334 1.00 0.00 C ATOM 535 CG PHE A 458 5.418 -6.081 -2.605 1.00 0.00 C ATOM 536 CD1 PHE A 458 6.700 -6.103 -3.132 1.00 0.00 C ATOM 537 CD2 PHE A 458 4.831 -4.856 -2.334 1.00 0.00 C ATOM 538 CE1 PHE A 458 7.381 -4.927 -3.382 1.00 0.00 C ATOM 539 CE2 PHE A 458 5.507 -3.677 -2.582 1.00 0.00 C ATOM 540 CZ PHE A 458 6.784 -3.712 -3.108 1.00 0.00 C ATOM 0 H PHE A 458 4.227 -9.773 -2.110 1.00 0.00 H new ATOM 0 HA PHE A 458 6.399 -8.199 -1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 458 4.635 -7.946 -3.252 1.00 0.00 H new ATOM 0 HB3 PHE A 458 3.653 -7.127 -2.054 1.00 0.00 H new ATOM 0 HD1 PHE A 458 7.172 -7.050 -3.350 1.00 0.00 H new ATOM 0 HD2 PHE A 458 3.833 -4.822 -1.924 1.00 0.00 H new ATOM 0 HE1 PHE A 458 8.380 -4.958 -3.792 1.00 0.00 H new ATOM 0 HE2 PHE A 458 5.038 -2.729 -2.365 1.00 0.00 H new ATOM 0 HZ PHE A 458 7.314 -2.792 -3.304 1.00 0.00 H new ATOM 550 N PRO A 459 6.003 -7.111 0.830 1.00 0.00 N ATOM 551 CA PRO A 459 5.840 -6.512 2.158 1.00 0.00 C ATOM 552 C PRO A 459 5.083 -5.190 2.109 1.00 0.00 C ATOM 553 O PRO A 459 5.352 -4.340 1.260 1.00 0.00 O ATOM 554 CB PRO A 459 7.280 -6.287 2.625 1.00 0.00 C ATOM 555 CG PRO A 459 8.072 -6.169 1.368 1.00 0.00 C ATOM 556 CD PRO A 459 7.402 -7.073 0.371 1.00 0.00 C ATOM 0 HA PRO A 459 5.256 -7.149 2.823 1.00 0.00 H new ATOM 0 HB2 PRO A 459 7.363 -5.385 3.231 1.00 0.00 H new ATOM 0 HB3 PRO A 459 7.632 -7.117 3.238 1.00 0.00 H new ATOM 0 HG2 PRO A 459 8.088 -5.139 1.012 1.00 0.00 H new ATOM 0 HG3 PRO A 459 9.108 -6.466 1.530 1.00 0.00 H new ATOM 0 HD2 PRO A 459 7.482 -6.681 -0.643 1.00 0.00 H new ATOM 0 HD3 PRO A 459 7.850 -8.067 0.365 1.00 0.00 H new ATOM 564 N CYS A 460 4.135 -5.021 3.025 1.00 0.00 N ATOM 565 CA CYS A 460 3.338 -3.802 3.087 1.00 0.00 C ATOM 566 C CYS A 460 4.232 -2.577 3.259 1.00 0.00 C ATOM 567 O CYS A 460 5.287 -2.647 3.890 1.00 0.00 O ATOM 568 CB CYS A 460 2.335 -3.882 4.239 1.00 0.00 C ATOM 569 SG CYS A 460 0.950 -2.705 4.101 1.00 0.00 S ATOM 0 H CYS A 460 3.900 -5.714 3.735 1.00 0.00 H new ATOM 0 HA CYS A 460 2.794 -3.704 2.148 1.00 0.00 H new ATOM 0 HB2 CYS A 460 1.934 -4.894 4.288 1.00 0.00 H new ATOM 0 HB3 CYS A 460 2.860 -3.701 5.177 1.00 0.00 H new ATOM 0 HG CYS A 460 1.338 -1.530 4.499 1.00 0.00 H new ATOM 574 N LYS A 461 3.801 -1.454 2.695 1.00 0.00 N ATOM 575 CA LYS A 461 4.559 -0.212 2.786 1.00 0.00 C ATOM 576 C LYS A 461 4.327 0.470 4.131 1.00 0.00 C ATOM 577 O LYS A 461 5.232 0.550 4.963 1.00 0.00 O ATOM 578 CB LYS A 461 4.167 0.734 1.649 1.00 0.00 C ATOM 579 CG LYS A 461 4.785 2.117 1.767 1.00 0.00 C ATOM 580 CD LYS A 461 4.316 3.035 0.651 1.00 0.00 C ATOM 581 CE LYS A 461 4.316 4.491 1.089 1.00 0.00 C ATOM 582 NZ LYS A 461 3.343 5.305 0.309 1.00 0.00 N ATOM 0 H LYS A 461 2.930 -1.379 2.170 1.00 0.00 H new ATOM 0 HA LYS A 461 5.618 -0.455 2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 461 4.467 0.291 0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 461 3.082 0.831 1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 461 4.523 2.552 2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 461 5.872 2.034 1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 461 4.965 2.915 -0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 461 3.312 2.748 0.340 1.00 0.00 H new ATOM 0 HE2 LYS A 461 4.072 4.551 2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 461 5.316 4.907 0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 3.373 6.291 0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 3.590 5.269 -0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 2.385 4.924 0.444 1.00 0.00 H new ATOM 596 N LEU A 462 3.109 0.958 4.340 1.00 0.00 N ATOM 597 CA LEU A 462 2.758 1.631 5.585 1.00 0.00 C ATOM 598 C LEU A 462 3.266 0.846 6.791 1.00 0.00 C ATOM 599 O LEU A 462 4.036 1.363 7.600 1.00 0.00 O ATOM 600 CB LEU A 462 1.241 1.809 5.681 1.00 0.00 C ATOM 601 CG LEU A 462 0.653 2.981 4.894 1.00 0.00 C ATOM 602 CD1 LEU A 462 -0.862 3.010 5.033 1.00 0.00 C ATOM 603 CD2 LEU A 462 1.258 4.296 5.361 1.00 0.00 C ATOM 0 H LEU A 462 2.348 0.900 3.663 1.00 0.00 H new ATOM 0 HA LEU A 462 3.234 2.611 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 462 0.765 0.891 5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 462 0.975 1.932 6.731 1.00 0.00 H new ATOM 0 HG LEU A 462 0.899 2.846 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.263 3.850 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -1.281 2.080 4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.129 3.120 6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.827 5.118 4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 462 1.044 4.439 6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 462 2.337 4.274 5.209 1.00 0.00 H new ATOM 615 N TYR A 463 2.831 -0.404 6.902 1.00 0.00 N ATOM 616 CA TYR A 463 3.242 -1.260 8.008 1.00 0.00 C ATOM 617 C TYR A 463 4.726 -1.083 8.312 1.00 0.00 C ATOM 618 O TYR A 463 5.180 -1.348 9.426 1.00 0.00 O ATOM 619 CB TYR A 463 2.947 -2.726 7.683 1.00 0.00 C ATOM 620 CG TYR A 463 3.123 -3.655 8.863 1.00 0.00 C ATOM 621 CD1 TYR A 463 2.151 -3.747 9.851 1.00 0.00 C ATOM 622 CD2 TYR A 463 4.262 -4.442 8.988 1.00 0.00 C ATOM 623 CE1 TYR A 463 2.308 -4.594 10.931 1.00 0.00 C ATOM 624 CE2 TYR A 463 4.427 -5.293 10.064 1.00 0.00 C ATOM 625 CZ TYR A 463 3.447 -5.365 11.033 1.00 0.00 C ATOM 626 OH TYR A 463 3.607 -6.211 12.106 1.00 0.00 O ATOM 0 H TYR A 463 2.194 -0.847 6.240 1.00 0.00 H new ATOM 0 HA TYR A 463 2.672 -0.969 8.890 1.00 0.00 H new ATOM 0 HB2 TYR A 463 1.924 -2.809 7.315 1.00 0.00 H new ATOM 0 HB3 TYR A 463 3.604 -3.050 6.875 1.00 0.00 H new ATOM 0 HD1 TYR A 463 1.257 -3.146 9.774 1.00 0.00 H new ATOM 0 HD2 TYR A 463 5.031 -4.387 8.231 1.00 0.00 H new ATOM 0 HE1 TYR A 463 1.543 -4.652 11.691 1.00 0.00 H new ATOM 0 HE2 TYR A 463 5.318 -5.898 10.146 1.00 0.00 H new ATOM 0 HH TYR A 463 4.462 -6.683 12.026 1.00 0.00 H new ATOM 636 N HIS A 464 5.479 -0.633 7.313 1.00 0.00 N ATOM 637 CA HIS A 464 6.913 -0.419 7.472 1.00 0.00 C ATOM 638 C HIS A 464 7.218 1.057 7.710 1.00 0.00 C ATOM 639 O HIS A 464 7.916 1.412 8.661 1.00 0.00 O ATOM 640 CB HIS A 464 7.664 -0.915 6.237 1.00 0.00 C ATOM 641 CG HIS A 464 7.783 -2.406 6.166 1.00 0.00 C ATOM 642 ND1 HIS A 464 8.049 -3.193 7.267 1.00 0.00 N ATOM 643 CD2 HIS A 464 7.669 -3.255 5.118 1.00 0.00 C ATOM 644 CE1 HIS A 464 8.096 -4.460 6.899 1.00 0.00 C ATOM 645 NE2 HIS A 464 7.868 -4.525 5.599 1.00 0.00 N ATOM 0 H HIS A 464 5.120 -0.410 6.385 1.00 0.00 H new ATOM 0 HA HIS A 464 7.246 -0.986 8.341 1.00 0.00 H new ATOM 0 HB2 HIS A 464 7.153 -0.557 5.343 1.00 0.00 H new ATOM 0 HB3 HIS A 464 8.663 -0.478 6.230 1.00 0.00 H new ATOM 0 HD1 HIS A 464 8.188 -2.850 8.217 1.00 0.00 H new ATOM 0 HD2 HIS A 464 7.460 -2.984 4.094 1.00 0.00 H new ATOM 0 HE1 HIS A 464 8.288 -5.300 7.550 1.00 0.00 H new ATOM 653 N THR A 465 6.692 1.913 6.840 1.00 0.00 N ATOM 654 CA THR A 465 6.910 3.350 6.954 1.00 0.00 C ATOM 655 C THR A 465 7.021 3.775 8.414 1.00 0.00 C ATOM 656 O THR A 465 7.939 4.503 8.792 1.00 0.00 O ATOM 657 CB THR A 465 5.774 4.145 6.284 1.00 0.00 C ATOM 658 OG1 THR A 465 4.527 3.854 6.927 1.00 0.00 O ATOM 659 CG2 THR A 465 5.677 3.809 4.804 1.00 0.00 C ATOM 0 H THR A 465 6.112 1.636 6.048 1.00 0.00 H new ATOM 0 HA THR A 465 7.847 3.569 6.443 1.00 0.00 H new ATOM 0 HB THR A 465 5.996 5.207 6.385 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.501 2.907 7.177 1.00 0.00 H new ATOM 0 HG21 THR A 465 4.868 4.383 4.353 1.00 0.00 H new ATOM 0 HG22 THR A 465 6.617 4.059 4.312 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.477 2.744 4.685 1.00 0.00 H new ATOM 667 N THR A 466 6.080 3.314 9.233 1.00 0.00 N ATOM 668 CA THR A 466 6.072 3.647 10.651 1.00 0.00 C ATOM 669 C THR A 466 6.089 2.389 11.512 1.00 0.00 C ATOM 670 O THR A 466 6.653 2.380 12.605 1.00 0.00 O ATOM 671 CB THR A 466 4.839 4.492 11.023 1.00 0.00 C ATOM 672 OG1 THR A 466 3.641 3.809 10.636 1.00 0.00 O ATOM 673 CG2 THR A 466 4.892 5.854 10.347 1.00 0.00 C ATOM 0 H THR A 466 5.314 2.709 8.938 1.00 0.00 H new ATOM 0 HA THR A 466 6.974 4.228 10.843 1.00 0.00 H new ATOM 0 HB THR A 466 4.840 4.639 12.103 1.00 0.00 H new ATOM 0 HG1 THR A 466 2.862 4.352 10.878 1.00 0.00 H new ATOM 0 HG21 THR A 466 4.011 6.433 10.625 1.00 0.00 H new ATOM 0 HG22 THR A 466 5.789 6.384 10.666 1.00 0.00 H new ATOM 0 HG23 THR A 466 4.914 5.723 9.265 1.00 0.00 H new ATOM 681 N GLY A 467 5.468 1.326 11.010 1.00 0.00 N ATOM 682 CA GLY A 467 5.425 0.076 11.746 1.00 0.00 C ATOM 683 C GLY A 467 4.035 -0.530 11.779 1.00 0.00 C ATOM 684 O GLY A 467 3.879 -1.746 11.687 1.00 0.00 O ATOM 0 H GLY A 467 4.994 1.308 10.107 1.00 0.00 H new ATOM 0 HA2 GLY A 467 6.117 -0.634 11.292 1.00 0.00 H new ATOM 0 HA3 GLY A 467 5.768 0.247 12.766 1.00 0.00 H new ATOM 688 N ASN A 468 3.024 0.322 11.914 1.00 0.00 N ATOM 689 CA ASN A 468 1.640 -0.137 11.962 1.00 0.00 C ATOM 690 C ASN A 468 0.920 0.169 10.652 1.00 0.00 C ATOM 691 O ASN A 468 1.317 1.065 9.907 1.00 0.00 O ATOM 692 CB ASN A 468 0.902 0.523 13.129 1.00 0.00 C ATOM 693 CG ASN A 468 1.499 0.153 14.473 1.00 0.00 C ATOM 694 OD1 ASN A 468 2.702 -0.077 14.589 1.00 0.00 O ATOM 695 ND2 ASN A 468 0.656 0.093 15.498 1.00 0.00 N ATOM 0 H ASN A 468 3.137 1.333 11.992 1.00 0.00 H new ATOM 0 HA ASN A 468 1.646 -1.217 12.109 1.00 0.00 H new ATOM 0 HB2 ASN A 468 0.930 1.606 13.008 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -0.147 0.227 13.106 1.00 0.00 H new ATOM 0 HD21 ASN A 468 0.999 -0.152 16.427 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -0.334 0.292 15.356 1.00 0.00 H new ATOM 702 N CYS A 469 -0.142 -0.582 10.378 1.00 0.00 N ATOM 703 CA CYS A 469 -0.919 -0.392 9.159 1.00 0.00 C ATOM 704 C CYS A 469 -2.351 0.023 9.486 1.00 0.00 C ATOM 705 O CYS A 469 -3.014 -0.600 10.314 1.00 0.00 O ATOM 706 CB CYS A 469 -0.925 -1.677 8.328 1.00 0.00 C ATOM 707 SG CYS A 469 -1.479 -1.447 6.608 1.00 0.00 S ATOM 0 H CYS A 469 -0.484 -1.328 10.984 1.00 0.00 H new ATOM 0 HA CYS A 469 -0.452 0.405 8.580 1.00 0.00 H new ATOM 0 HB2 CYS A 469 0.081 -2.098 8.321 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -1.573 -2.407 8.813 1.00 0.00 H new ATOM 0 HG CYS A 469 -0.576 -1.910 5.796 1.00 0.00 H new ATOM 712 N ILE A 470 -2.819 1.078 8.828 1.00 0.00 N ATOM 713 CA ILE A 470 -4.172 1.575 9.047 1.00 0.00 C ATOM 714 C ILE A 470 -5.207 0.487 8.783 1.00 0.00 C ATOM 715 O ILE A 470 -6.283 0.481 9.380 1.00 0.00 O ATOM 716 CB ILE A 470 -4.478 2.788 8.149 1.00 0.00 C ATOM 717 CG1 ILE A 470 -5.882 3.324 8.440 1.00 0.00 C ATOM 718 CG2 ILE A 470 -4.343 2.409 6.682 1.00 0.00 C ATOM 719 CD1 ILE A 470 -5.973 4.112 9.727 1.00 0.00 C ATOM 0 H ILE A 470 -2.282 1.605 8.139 1.00 0.00 H new ATOM 0 HA ILE A 470 -4.230 1.882 10.091 1.00 0.00 H new ATOM 0 HB ILE A 470 -3.756 3.575 8.368 1.00 0.00 H new ATOM 0 HG12 ILE A 470 -6.199 3.958 7.612 1.00 0.00 H new ATOM 0 HG13 ILE A 470 -6.579 2.487 8.486 1.00 0.00 H new ATOM 0 HG21 ILE A 470 -4.562 3.277 6.060 1.00 0.00 H new ATOM 0 HG22 ILE A 470 -3.326 2.070 6.486 1.00 0.00 H new ATOM 0 HG23 ILE A 470 -5.044 1.608 6.447 1.00 0.00 H new ATOM 0 HD11 ILE A 470 -6.996 4.461 9.869 1.00 0.00 H new ATOM 0 HD12 ILE A 470 -5.687 3.475 10.564 1.00 0.00 H new ATOM 0 HD13 ILE A 470 -5.301 4.969 9.677 1.00 0.00 H new ATOM 731 N ASN A 471 -4.873 -0.434 7.885 1.00 0.00 N ATOM 732 CA ASN A 471 -5.773 -1.529 7.542 1.00 0.00 C ATOM 733 C ASN A 471 -6.154 -2.329 8.784 1.00 0.00 C ATOM 734 O ASN A 471 -7.321 -2.376 9.171 1.00 0.00 O ATOM 735 CB ASN A 471 -5.119 -2.450 6.510 1.00 0.00 C ATOM 736 CG ASN A 471 -5.028 -1.808 5.139 1.00 0.00 C ATOM 737 OD1 ASN A 471 -4.013 -1.203 4.791 1.00 0.00 O ATOM 738 ND2 ASN A 471 -6.090 -1.938 4.353 1.00 0.00 N ATOM 0 H ASN A 471 -3.986 -0.444 7.382 1.00 0.00 H new ATOM 0 HA ASN A 471 -6.680 -1.101 7.115 1.00 0.00 H new ATOM 0 HB2 ASN A 471 -4.119 -2.719 6.849 1.00 0.00 H new ATOM 0 HB3 ASN A 471 -5.691 -3.375 6.438 1.00 0.00 H new ATOM 0 HD21 ASN A 471 -6.086 -1.528 3.419 1.00 0.00 H new ATOM 0 HD22 ASN A 471 -6.909 -2.448 4.683 1.00 0.00 H new ATOM 745 N GLY A 472 -5.160 -2.957 9.405 1.00 0.00 N ATOM 746 CA GLY A 472 -5.411 -3.746 10.597 1.00 0.00 C ATOM 747 C GLY A 472 -4.679 -5.073 10.579 1.00 0.00 C ATOM 748 O GLY A 472 -3.588 -5.180 10.018 1.00 0.00 O ATOM 0 H GLY A 472 -4.186 -2.933 9.104 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -5.106 -3.178 11.476 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -6.482 -3.927 10.691 1.00 0.00 H new ATOM 752 N ASP A 473 -5.277 -6.086 11.196 1.00 0.00 N ATOM 753 CA ASP A 473 -4.674 -7.413 11.250 1.00 0.00 C ATOM 754 C ASP A 473 -4.827 -8.133 9.914 1.00 0.00 C ATOM 755 O ASP A 473 -3.920 -8.838 9.470 1.00 0.00 O ATOM 756 CB ASP A 473 -5.311 -8.241 12.366 1.00 0.00 C ATOM 757 CG ASP A 473 -5.304 -7.519 13.699 1.00 0.00 C ATOM 758 OD1 ASP A 473 -4.205 -7.173 14.182 1.00 0.00 O ATOM 759 OD2 ASP A 473 -6.398 -7.298 14.259 1.00 0.00 O ATOM 0 H ASP A 473 -6.179 -6.014 11.666 1.00 0.00 H new ATOM 0 HA ASP A 473 -3.611 -7.294 11.459 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -6.338 -8.484 12.093 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -4.775 -9.185 12.465 1.00 0.00 H new ATOM 764 N ASP A 474 -5.980 -7.953 9.279 1.00 0.00 N ATOM 765 CA ASP A 474 -6.252 -8.586 7.994 1.00 0.00 C ATOM 766 C ASP A 474 -6.048 -7.600 6.848 1.00 0.00 C ATOM 767 O ASP A 474 -6.987 -7.270 6.124 1.00 0.00 O ATOM 768 CB ASP A 474 -7.680 -9.134 7.963 1.00 0.00 C ATOM 769 CG ASP A 474 -8.719 -8.054 8.194 1.00 0.00 C ATOM 770 OD1 ASP A 474 -8.376 -7.021 8.806 1.00 0.00 O ATOM 771 OD2 ASP A 474 -9.875 -8.242 7.762 1.00 0.00 O ATOM 0 H ASP A 474 -6.741 -7.374 9.633 1.00 0.00 H new ATOM 0 HA ASP A 474 -5.551 -9.411 7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -7.863 -9.610 7.000 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -7.787 -9.906 8.725 1.00 0.00 H new ATOM 776 N CYS A 475 -4.814 -7.132 6.690 1.00 0.00 N ATOM 777 CA CYS A 475 -4.486 -6.182 5.634 1.00 0.00 C ATOM 778 C CYS A 475 -4.334 -6.892 4.292 1.00 0.00 C ATOM 779 O CYS A 475 -3.902 -8.043 4.232 1.00 0.00 O ATOM 780 CB CYS A 475 -3.196 -5.434 5.976 1.00 0.00 C ATOM 781 SG CYS A 475 -2.713 -4.182 4.743 1.00 0.00 S ATOM 0 H CYS A 475 -4.025 -7.395 7.280 1.00 0.00 H new ATOM 0 HA CYS A 475 -5.304 -5.466 5.556 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -3.316 -4.948 6.944 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -2.387 -6.156 6.081 1.00 0.00 H new ATOM 0 HG CYS A 475 -2.246 -3.132 5.351 1.00 0.00 H new ATOM 786 N MET A 476 -4.694 -6.197 3.217 1.00 0.00 N ATOM 787 CA MET A 476 -4.596 -6.760 1.876 1.00 0.00 C ATOM 788 C MET A 476 -3.157 -7.150 1.553 1.00 0.00 C ATOM 789 O MET A 476 -2.911 -8.004 0.700 1.00 0.00 O ATOM 790 CB MET A 476 -5.110 -5.758 0.840 1.00 0.00 C ATOM 791 CG MET A 476 -4.128 -4.638 0.539 1.00 0.00 C ATOM 792 SD MET A 476 -2.838 -5.138 -0.618 1.00 0.00 S ATOM 793 CE MET A 476 -3.757 -5.174 -2.155 1.00 0.00 C ATOM 0 H MET A 476 -5.056 -5.244 3.249 1.00 0.00 H new ATOM 0 HA MET A 476 -5.213 -7.658 1.840 1.00 0.00 H new ATOM 0 HB2 MET A 476 -5.338 -6.288 -0.085 1.00 0.00 H new ATOM 0 HB3 MET A 476 -6.044 -5.325 1.198 1.00 0.00 H new ATOM 0 HG2 MET A 476 -4.669 -3.786 0.128 1.00 0.00 H new ATOM 0 HG3 MET A 476 -3.667 -4.304 1.469 1.00 0.00 H new ATOM 0 HE1 MET A 476 -3.086 -4.953 -2.985 1.00 0.00 H new ATOM 0 HE2 MET A 476 -4.194 -6.163 -2.295 1.00 0.00 H new ATOM 0 HE3 MET A 476 -4.551 -4.428 -2.122 1.00 0.00 H new ATOM 803 N PHE A 477 -2.210 -6.519 2.239 1.00 0.00 N ATOM 804 CA PHE A 477 -0.795 -6.800 2.024 1.00 0.00 C ATOM 805 C PHE A 477 -0.235 -7.665 3.149 1.00 0.00 C ATOM 806 O PHE A 477 -0.820 -7.754 4.228 1.00 0.00 O ATOM 807 CB PHE A 477 -0.004 -5.494 1.927 1.00 0.00 C ATOM 808 CG PHE A 477 -0.118 -4.822 0.589 1.00 0.00 C ATOM 809 CD1 PHE A 477 0.245 -5.489 -0.570 1.00 0.00 C ATOM 810 CD2 PHE A 477 -0.587 -3.522 0.489 1.00 0.00 C ATOM 811 CE1 PHE A 477 0.141 -4.874 -1.803 1.00 0.00 C ATOM 812 CE2 PHE A 477 -0.693 -2.901 -0.741 1.00 0.00 C ATOM 813 CZ PHE A 477 -0.328 -3.578 -1.889 1.00 0.00 C ATOM 0 H PHE A 477 -2.396 -5.810 2.948 1.00 0.00 H new ATOM 0 HA PHE A 477 -0.697 -7.347 1.086 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -0.353 -4.809 2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 477 1.047 -5.699 2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 477 0.614 -6.502 -0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -0.873 -2.988 1.383 1.00 0.00 H new ATOM 0 HE1 PHE A 477 0.426 -5.406 -2.698 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -1.061 -1.888 -0.805 1.00 0.00 H new ATOM 0 HZ PHE A 477 -0.409 -3.095 -2.851 1.00 0.00 H new ATOM 823 N SER A 478 0.903 -8.301 2.888 1.00 0.00 N ATOM 824 CA SER A 478 1.541 -9.163 3.876 1.00 0.00 C ATOM 825 C SER A 478 2.327 -8.337 4.890 1.00 0.00 C ATOM 826 O SER A 478 2.968 -7.347 4.538 1.00 0.00 O ATOM 827 CB SER A 478 2.470 -10.163 3.186 1.00 0.00 C ATOM 828 OG SER A 478 1.732 -11.104 2.426 1.00 0.00 O ATOM 0 H SER A 478 1.402 -8.235 2.001 1.00 0.00 H new ATOM 0 HA SER A 478 0.760 -9.709 4.405 1.00 0.00 H new ATOM 0 HB2 SER A 478 3.164 -9.630 2.536 1.00 0.00 H new ATOM 0 HB3 SER A 478 3.069 -10.684 3.933 1.00 0.00 H new ATOM 0 HG SER A 478 2.349 -11.731 1.994 1.00 0.00 H new ATOM 834 N HIS A 479 2.271 -8.753 6.152 1.00 0.00 N ATOM 835 CA HIS A 479 2.977 -8.053 7.219 1.00 0.00 C ATOM 836 C HIS A 479 4.163 -8.874 7.715 1.00 0.00 C ATOM 837 O HIS A 479 4.552 -8.780 8.880 1.00 0.00 O ATOM 838 CB HIS A 479 2.027 -7.755 8.379 1.00 0.00 C ATOM 839 CG HIS A 479 1.108 -6.601 8.119 1.00 0.00 C ATOM 840 ND1 HIS A 479 -0.015 -6.348 8.878 1.00 0.00 N ATOM 841 CD2 HIS A 479 1.151 -5.630 7.177 1.00 0.00 C ATOM 842 CE1 HIS A 479 -0.624 -5.271 8.415 1.00 0.00 C ATOM 843 NE2 HIS A 479 0.064 -4.816 7.383 1.00 0.00 N ATOM 0 H HIS A 479 1.744 -9.571 6.460 1.00 0.00 H new ATOM 0 HA HIS A 479 3.352 -7.112 6.816 1.00 0.00 H new ATOM 0 HB2 HIS A 479 1.431 -8.644 8.587 1.00 0.00 H new ATOM 0 HB3 HIS A 479 2.613 -7.547 9.274 1.00 0.00 H new ATOM 0 HD2 HIS A 479 1.900 -5.516 6.407 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -1.530 -4.837 8.812 1.00 0.00 H new ATOM 0 HE2 HIS A 479 -0.174 -3.993 6.829 1.00 0.00 H new ATOM 851 N ASP A 480 4.733 -9.680 6.825 1.00 0.00 N ATOM 852 CA ASP A 480 5.874 -10.518 7.173 1.00 0.00 C ATOM 853 C ASP A 480 7.099 -9.665 7.487 1.00 0.00 C ATOM 854 O ASP A 480 7.250 -8.546 6.996 1.00 0.00 O ATOM 855 CB ASP A 480 6.190 -11.485 6.031 1.00 0.00 C ATOM 856 CG ASP A 480 4.953 -12.185 5.506 1.00 0.00 C ATOM 857 OD1 ASP A 480 3.927 -12.191 6.218 1.00 0.00 O ATOM 858 OD2 ASP A 480 5.009 -12.728 4.382 1.00 0.00 O ATOM 0 H ASP A 480 4.423 -9.770 5.857 1.00 0.00 H new ATOM 0 HA ASP A 480 5.615 -11.091 8.063 1.00 0.00 H new ATOM 0 HB2 ASP A 480 6.667 -10.938 5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 480 6.906 -12.230 6.378 1.00 0.00 H new ATOM 863 N PRO A 481 7.996 -10.203 8.327 1.00 0.00 N ATOM 864 CA PRO A 481 9.223 -9.507 8.727 1.00 0.00 C ATOM 865 C PRO A 481 10.222 -9.389 7.581 1.00 0.00 C ATOM 866 O PRO A 481 10.723 -10.394 7.075 1.00 0.00 O ATOM 867 CB PRO A 481 9.788 -10.395 9.839 1.00 0.00 C ATOM 868 CG PRO A 481 9.240 -11.751 9.556 1.00 0.00 C ATOM 869 CD PRO A 481 7.881 -11.531 8.952 1.00 0.00 C ATOM 0 HA PRO A 481 9.026 -8.482 9.040 1.00 0.00 H new ATOM 0 HB2 PRO A 481 10.878 -10.398 9.828 1.00 0.00 H new ATOM 0 HB3 PRO A 481 9.480 -10.041 10.823 1.00 0.00 H new ATOM 0 HG2 PRO A 481 9.887 -12.298 8.871 1.00 0.00 H new ATOM 0 HG3 PRO A 481 9.170 -12.342 10.469 1.00 0.00 H new ATOM 0 HD2 PRO A 481 7.638 -12.300 8.219 1.00 0.00 H new ATOM 0 HD3 PRO A 481 7.097 -11.552 9.709 1.00 0.00 H new ATOM 877 N LEU A 482 10.507 -8.157 7.175 1.00 0.00 N ATOM 878 CA LEU A 482 11.447 -7.907 6.088 1.00 0.00 C ATOM 879 C LEU A 482 12.645 -8.848 6.178 1.00 0.00 C ATOM 880 O LEU A 482 13.068 -9.231 7.269 1.00 0.00 O ATOM 881 CB LEU A 482 11.922 -6.454 6.122 1.00 0.00 C ATOM 882 CG LEU A 482 10.945 -5.415 5.570 1.00 0.00 C ATOM 883 CD1 LEU A 482 11.411 -4.009 5.911 1.00 0.00 C ATOM 884 CD2 LEU A 482 10.789 -5.577 4.065 1.00 0.00 C ATOM 0 H LEU A 482 10.100 -7.315 7.582 1.00 0.00 H new ATOM 0 HA LEU A 482 10.932 -8.092 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 482 12.154 -6.193 7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 482 12.852 -6.384 5.559 1.00 0.00 H new ATOM 0 HG LEU A 482 9.973 -5.576 6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 482 10.703 -3.284 5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 482 11.470 -3.898 6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 482 12.395 -3.836 5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 482 10.090 -4.830 3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 482 11.757 -5.444 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 482 10.408 -6.574 3.844 1.00 0.00 H new ATOM 896 N THR A 483 13.190 -9.215 5.022 1.00 0.00 N ATOM 897 CA THR A 483 14.339 -10.110 4.969 1.00 0.00 C ATOM 898 C THR A 483 15.441 -9.537 4.085 1.00 0.00 C ATOM 899 O THR A 483 15.178 -8.731 3.193 1.00 0.00 O ATOM 900 CB THR A 483 13.944 -11.502 4.441 1.00 0.00 C ATOM 901 OG1 THR A 483 13.258 -11.375 3.190 1.00 0.00 O ATOM 902 CG2 THR A 483 13.057 -12.228 5.440 1.00 0.00 C ATOM 0 H THR A 483 12.854 -8.906 4.110 1.00 0.00 H new ATOM 0 HA THR A 483 14.710 -10.209 5.989 1.00 0.00 H new ATOM 0 HB THR A 483 14.855 -12.084 4.298 1.00 0.00 H new ATOM 0 HG1 THR A 483 13.011 -12.264 2.860 1.00 0.00 H new ATOM 0 HG21 THR A 483 12.791 -13.209 5.045 1.00 0.00 H new ATOM 0 HG22 THR A 483 13.593 -12.349 6.381 1.00 0.00 H new ATOM 0 HG23 THR A 483 12.150 -11.647 5.611 1.00 0.00 H new ATOM 910 N GLU A 484 16.676 -9.959 4.338 1.00 0.00 N ATOM 911 CA GLU A 484 17.818 -9.487 3.564 1.00 0.00 C ATOM 912 C GLU A 484 17.459 -9.363 2.086 1.00 0.00 C ATOM 913 O GLU A 484 17.989 -8.507 1.379 1.00 0.00 O ATOM 914 CB GLU A 484 19.006 -10.436 3.734 1.00 0.00 C ATOM 915 CG GLU A 484 18.930 -11.670 2.850 1.00 0.00 C ATOM 916 CD GLU A 484 18.054 -12.757 3.439 1.00 0.00 C ATOM 917 OE1 GLU A 484 17.988 -12.859 4.682 1.00 0.00 O ATOM 918 OE2 GLU A 484 17.433 -13.507 2.657 1.00 0.00 O ATOM 0 H GLU A 484 16.911 -10.626 5.073 1.00 0.00 H new ATOM 0 HA GLU A 484 18.095 -8.501 3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 484 19.926 -9.896 3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 484 19.064 -10.749 4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 484 18.543 -11.388 1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 484 19.935 -12.063 2.694 1.00 0.00 H new ATOM 925 N GLU A 485 16.557 -10.225 1.628 1.00 0.00 N ATOM 926 CA GLU A 485 16.129 -10.213 0.234 1.00 0.00 C ATOM 927 C GLU A 485 15.089 -9.122 -0.006 1.00 0.00 C ATOM 928 O GLU A 485 15.382 -8.090 -0.610 1.00 0.00 O ATOM 929 CB GLU A 485 15.555 -11.576 -0.158 1.00 0.00 C ATOM 930 CG GLU A 485 15.241 -11.700 -1.640 1.00 0.00 C ATOM 931 CD GLU A 485 14.053 -10.855 -2.058 1.00 0.00 C ATOM 932 OE1 GLU A 485 12.979 -10.994 -1.436 1.00 0.00 O ATOM 933 OE2 GLU A 485 14.198 -10.055 -3.005 1.00 0.00 O ATOM 0 H GLU A 485 16.109 -10.940 2.201 1.00 0.00 H new ATOM 0 HA GLU A 485 17.001 -10.003 -0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 485 16.266 -12.354 0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 485 14.645 -11.756 0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 485 16.115 -11.402 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 485 15.041 -12.745 -1.879 1.00 0.00 H new ATOM 940 N THR A 486 13.870 -9.360 0.470 1.00 0.00 N ATOM 941 CA THR A 486 12.785 -8.400 0.307 1.00 0.00 C ATOM 942 C THR A 486 13.234 -6.993 0.685 1.00 0.00 C ATOM 943 O THR A 486 13.025 -6.042 -0.068 1.00 0.00 O ATOM 944 CB THR A 486 11.563 -8.784 1.161 1.00 0.00 C ATOM 945 OG1 THR A 486 11.980 -9.131 2.486 1.00 0.00 O ATOM 946 CG2 THR A 486 10.812 -9.951 0.538 1.00 0.00 C ATOM 0 H THR A 486 13.610 -10.209 0.971 1.00 0.00 H new ATOM 0 HA THR A 486 12.503 -8.417 -0.746 1.00 0.00 H new ATOM 0 HB THR A 486 10.894 -7.924 1.205 1.00 0.00 H new ATOM 0 HG1 THR A 486 12.352 -10.038 2.485 1.00 0.00 H new ATOM 0 HG21 THR A 486 9.953 -10.204 1.159 1.00 0.00 H new ATOM 0 HG22 THR A 486 10.470 -9.673 -0.459 1.00 0.00 H new ATOM 0 HG23 THR A 486 11.475 -10.813 0.466 1.00 0.00 H new ATOM 954 N ARG A 487 13.852 -6.869 1.855 1.00 0.00 N ATOM 955 CA ARG A 487 14.329 -5.577 2.333 1.00 0.00 C ATOM 956 C ARG A 487 14.930 -4.763 1.191 1.00 0.00 C ATOM 957 O ARG A 487 14.680 -3.564 1.072 1.00 0.00 O ATOM 958 CB ARG A 487 15.370 -5.771 3.438 1.00 0.00 C ATOM 959 CG ARG A 487 15.414 -4.629 4.440 1.00 0.00 C ATOM 960 CD ARG A 487 15.774 -3.313 3.770 1.00 0.00 C ATOM 961 NE ARG A 487 16.115 -2.278 4.742 1.00 0.00 N ATOM 962 CZ ARG A 487 17.315 -2.159 5.299 1.00 0.00 C ATOM 963 NH1 ARG A 487 18.284 -3.006 4.980 1.00 0.00 N ATOM 964 NH2 ARG A 487 17.548 -1.191 6.176 1.00 0.00 N ATOM 0 H ARG A 487 14.034 -7.647 2.489 1.00 0.00 H new ATOM 0 HA ARG A 487 13.477 -5.030 2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 487 15.157 -6.700 3.967 1.00 0.00 H new ATOM 0 HB3 ARG A 487 16.354 -5.882 2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 487 14.445 -4.536 4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 487 16.144 -4.854 5.218 1.00 0.00 H new ATOM 0 HD2 ARG A 487 16.616 -3.468 3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 487 14.936 -2.976 3.161 1.00 0.00 H new ATOM 0 HE ARG A 487 15.392 -1.610 5.008 1.00 0.00 H new ATOM 0 HH11 ARG A 487 18.109 -3.751 4.306 1.00 0.00 H new ATOM 0 HH12 ARG A 487 19.205 -2.913 5.409 1.00 0.00 H new ATOM 0 HH21 ARG A 487 16.805 -0.537 6.423 1.00 0.00 H new ATOM 0 HH22 ARG A 487 18.470 -1.101 6.603 1.00 0.00 H new ATOM 978 N GLU A 488 15.725 -5.423 0.354 1.00 0.00 N ATOM 979 CA GLU A 488 16.362 -4.760 -0.777 1.00 0.00 C ATOM 980 C GLU A 488 15.318 -4.165 -1.718 1.00 0.00 C ATOM 981 O GLU A 488 15.476 -3.048 -2.213 1.00 0.00 O ATOM 982 CB GLU A 488 17.249 -5.745 -1.541 1.00 0.00 C ATOM 983 CG GLU A 488 18.449 -6.228 -0.743 1.00 0.00 C ATOM 984 CD GLU A 488 19.584 -5.223 -0.729 1.00 0.00 C ATOM 985 OE1 GLU A 488 19.976 -4.756 -1.819 1.00 0.00 O ATOM 986 OE2 GLU A 488 20.080 -4.902 0.371 1.00 0.00 O ATOM 0 H GLU A 488 15.943 -6.416 0.438 1.00 0.00 H new ATOM 0 HA GLU A 488 16.980 -3.951 -0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 488 16.650 -6.606 -1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 488 17.600 -5.270 -2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 488 18.140 -6.435 0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 488 18.806 -7.168 -1.164 1.00 0.00 H new ATOM 993 N LEU A 489 14.251 -4.918 -1.960 1.00 0.00 N ATOM 994 CA LEU A 489 13.180 -4.467 -2.842 1.00 0.00 C ATOM 995 C LEU A 489 12.701 -3.074 -2.447 1.00 0.00 C ATOM 996 O LEU A 489 12.852 -2.115 -3.206 1.00 0.00 O ATOM 997 CB LEU A 489 12.010 -5.451 -2.801 1.00 0.00 C ATOM 998 CG LEU A 489 12.289 -6.849 -3.356 1.00 0.00 C ATOM 999 CD1 LEU A 489 11.269 -7.846 -2.828 1.00 0.00 C ATOM 1000 CD2 LEU A 489 12.281 -6.830 -4.878 1.00 0.00 C ATOM 0 H LEU A 489 14.104 -5.844 -1.558 1.00 0.00 H new ATOM 0 HA LEU A 489 13.573 -4.422 -3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 489 11.682 -5.551 -1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 489 11.179 -5.020 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 489 13.278 -7.161 -3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 489 11.483 -8.835 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 489 11.323 -7.880 -1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 489 10.268 -7.538 -3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 489 12.481 -7.833 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 489 11.306 -6.497 -5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 489 13.050 -6.147 -5.237 1.00 0.00 H new ATOM 1012 N LEU A 490 12.125 -2.967 -1.255 1.00 0.00 N ATOM 1013 CA LEU A 490 11.626 -1.690 -0.757 1.00 0.00 C ATOM 1014 C LEU A 490 12.589 -0.558 -1.100 1.00 0.00 C ATOM 1015 O LEU A 490 12.222 0.395 -1.787 1.00 0.00 O ATOM 1016 CB LEU A 490 11.417 -1.757 0.757 1.00 0.00 C ATOM 1017 CG LEU A 490 10.164 -2.494 1.230 1.00 0.00 C ATOM 1018 CD1 LEU A 490 10.194 -2.683 2.739 1.00 0.00 C ATOM 1019 CD2 LEU A 490 8.911 -1.740 0.810 1.00 0.00 C ATOM 0 H LEU A 490 11.992 -3.750 -0.615 1.00 0.00 H new ATOM 0 HA LEU A 490 10.670 -1.488 -1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 490 12.287 -2.239 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 490 11.383 -0.739 1.144 1.00 0.00 H new ATOM 0 HG LEU A 490 10.146 -3.478 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 490 9.294 -3.209 3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 490 11.073 -3.266 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 490 10.237 -1.709 3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 490 8.029 -2.279 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 490 8.922 -0.743 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 490 8.883 -1.657 -0.276 1.00 0.00 H new ATOM 1031 N ASP A 491 13.822 -0.671 -0.619 1.00 0.00 N ATOM 1032 CA ASP A 491 14.839 0.341 -0.877 1.00 0.00 C ATOM 1033 C ASP A 491 14.737 0.862 -2.307 1.00 0.00 C ATOM 1034 O ASP A 491 14.939 2.049 -2.564 1.00 0.00 O ATOM 1035 CB ASP A 491 16.235 -0.233 -0.629 1.00 0.00 C ATOM 1036 CG ASP A 491 16.456 -0.608 0.823 1.00 0.00 C ATOM 1037 OD1 ASP A 491 15.466 -0.936 1.509 1.00 0.00 O ATOM 1038 OD2 ASP A 491 17.621 -0.572 1.274 1.00 0.00 O ATOM 0 H ASP A 491 14.141 -1.454 -0.048 1.00 0.00 H new ATOM 0 HA ASP A 491 14.670 1.173 -0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 491 16.379 -1.114 -1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 491 16.985 0.499 -0.931 1.00 0.00 H new ATOM 1043 N LYS A 492 14.422 -0.034 -3.237 1.00 0.00 N ATOM 1044 CA LYS A 492 14.292 0.334 -4.642 1.00 0.00 C ATOM 1045 C LYS A 492 12.935 0.974 -4.914 1.00 0.00 C ATOM 1046 O LYS A 492 12.832 1.928 -5.683 1.00 0.00 O ATOM 1047 CB LYS A 492 14.474 -0.898 -5.531 1.00 0.00 C ATOM 1048 CG LYS A 492 14.589 -0.570 -7.010 1.00 0.00 C ATOM 1049 CD LYS A 492 15.999 -0.141 -7.377 1.00 0.00 C ATOM 1050 CE LYS A 492 16.137 1.374 -7.387 1.00 0.00 C ATOM 1051 NZ LYS A 492 17.508 1.809 -7.002 1.00 0.00 N ATOM 0 H LYS A 492 14.252 -1.021 -3.043 1.00 0.00 H new ATOM 0 HA LYS A 492 15.070 1.061 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 492 15.369 -1.434 -5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 492 13.630 -1.571 -5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 492 14.308 -1.442 -7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 492 13.888 0.226 -7.263 1.00 0.00 H new ATOM 0 HD2 LYS A 492 16.707 -0.567 -6.666 1.00 0.00 H new ATOM 0 HD3 LYS A 492 16.257 -0.537 -8.359 1.00 0.00 H new ATOM 0 HE2 LYS A 492 15.902 1.753 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 492 15.412 1.809 -6.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 17.561 2.847 -7.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 17.724 1.469 -6.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 18.198 1.415 -7.673 1.00 0.00 H new ATOM 1065 N MET A 493 11.897 0.444 -4.275 1.00 0.00 N ATOM 1066 CA MET A 493 10.546 0.966 -4.447 1.00 0.00 C ATOM 1067 C MET A 493 10.456 2.409 -3.960 1.00 0.00 C ATOM 1068 O MET A 493 10.104 3.311 -4.722 1.00 0.00 O ATOM 1069 CB MET A 493 9.540 0.096 -3.691 1.00 0.00 C ATOM 1070 CG MET A 493 8.100 0.315 -4.127 1.00 0.00 C ATOM 1071 SD MET A 493 7.362 1.779 -3.377 1.00 0.00 S ATOM 1072 CE MET A 493 6.886 1.136 -1.774 1.00 0.00 C ATOM 0 H MET A 493 11.965 -0.346 -3.634 1.00 0.00 H new ATOM 0 HA MET A 493 10.307 0.944 -5.510 1.00 0.00 H new ATOM 0 HB2 MET A 493 9.799 -0.953 -3.834 1.00 0.00 H new ATOM 0 HB3 MET A 493 9.623 0.302 -2.624 1.00 0.00 H new ATOM 0 HG2 MET A 493 8.064 0.410 -5.212 1.00 0.00 H new ATOM 0 HG3 MET A 493 7.508 -0.561 -3.864 1.00 0.00 H new ATOM 0 HE1 MET A 493 6.922 1.937 -1.035 1.00 0.00 H new ATOM 0 HE2 MET A 493 5.873 0.738 -1.828 1.00 0.00 H new ATOM 0 HE3 MET A 493 7.573 0.342 -1.482 1.00 0.00 H new ATOM 1082 N LEU A 494 10.774 2.620 -2.688 1.00 0.00 N ATOM 1083 CA LEU A 494 10.729 3.954 -2.099 1.00 0.00 C ATOM 1084 C LEU A 494 11.414 4.973 -3.005 1.00 0.00 C ATOM 1085 O LEU A 494 10.822 5.986 -3.375 1.00 0.00 O ATOM 1086 CB LEU A 494 11.395 3.949 -0.722 1.00 0.00 C ATOM 1087 CG LEU A 494 10.528 3.466 0.441 1.00 0.00 C ATOM 1088 CD1 LEU A 494 9.111 4.002 0.309 1.00 0.00 C ATOM 1089 CD2 LEU A 494 10.521 1.946 0.506 1.00 0.00 C ATOM 0 H LEU A 494 11.066 1.885 -2.044 1.00 0.00 H new ATOM 0 HA LEU A 494 9.683 4.240 -1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 494 12.283 3.320 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 494 11.734 4.961 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 494 10.954 3.847 1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 494 8.509 3.648 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 494 9.132 5.092 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 494 8.675 3.651 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 494 9.899 1.620 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 494 10.120 1.544 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 494 11.539 1.583 0.649 1.00 0.00 H new