USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=20 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 -25:sc= -0.0673 USER MOD Set 1.2: A 486 THR OG1 : rot -159:sc= 0.989 USER MOD Set 2.1: A 460 CYS SG : rot 128:sc= 0.273 USER MOD Set 2.2: A 469 CYS SG : rot 119:sc= 1.22 USER MOD Set 2.3: A 471 ASN : amide:sc= -0.979 X(o=-0.35,f=-0.67!) USER MOD Set 2.4: A 475 CYS SG : rot 134:sc= -0.523 USER MOD Set 2.5: A 479 HIS : no HD1:sc= -0.337 X(o=-0.35,f=-0.014) USER MOD Set 3.1: A 440 TYR OH : rot -137:sc= 0.411 USER MOD Set 3.2: A 476 MET CE :methyl 153:sc= -2.6 (180deg=-5.98!) USER MOD Set 4.1: A 437 CYS SG : rot 106:sc= 1.87 USER MOD Set 4.2: A 445 CYS SG : rot -96:sc= 1.27 USER MOD Set 4.3: A 451 CYS SG : rot -168:sc= 1 USER MOD Set 4.4: A 455 HIS : no HE2:sc= 0.177 K(o=4.3,f=-2.9!) USER MOD Set 5.1: A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 453 TYR OH : rot 180:sc= 0 USER MOD Single : A 438 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.231) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 450 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.2!) USER MOD Single : A 454 MET CE :methyl 180:sc= -0.0015 (180deg=-0.0015) 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= -4.74! X(o=-4.7!,f=-4.3) USER MOD Single : A 465 THR OG1 : rot -35:sc= 0.183 USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 468 ASN : amide:sc= 0.042 K(o=0.042,f=-1.1) USER MOD Single : A 478 SER OG : rot 73:sc= 0.148 USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 MET CE :methyl -121:sc= -0.0106 (180deg=-0.293) USER MOD ----------------------------------------------------------------- ATOM 136 N LYS A 433 9.550 -11.077 -11.176 1.00 0.00 N ATOM 137 CA LYS A 433 10.376 -9.895 -11.390 1.00 0.00 C ATOM 138 C LYS A 433 10.589 -9.136 -10.084 1.00 0.00 C ATOM 139 O LYS A 433 11.028 -7.986 -10.088 1.00 0.00 O ATOM 140 CB LYS A 433 9.727 -8.974 -12.427 1.00 0.00 C ATOM 141 CG LYS A 433 10.095 -9.318 -13.860 1.00 0.00 C ATOM 142 CD LYS A 433 9.724 -8.196 -14.815 1.00 0.00 C ATOM 143 CE LYS A 433 8.304 -8.354 -15.336 1.00 0.00 C ATOM 144 NZ LYS A 433 8.136 -7.744 -16.684 1.00 0.00 N ATOM 0 HA LYS A 433 11.347 -10.224 -11.762 1.00 0.00 H new ATOM 0 HB2 LYS A 433 8.644 -9.023 -12.317 1.00 0.00 H new ATOM 0 HB3 LYS A 433 10.022 -7.945 -12.222 1.00 0.00 H new ATOM 0 HG2 LYS A 433 11.165 -9.513 -13.925 1.00 0.00 H new ATOM 0 HG3 LYS A 433 9.585 -10.234 -14.158 1.00 0.00 H new ATOM 0 HD2 LYS A 433 9.821 -7.237 -14.306 1.00 0.00 H new ATOM 0 HD3 LYS A 433 10.421 -8.185 -15.653 1.00 0.00 H new ATOM 0 HE2 LYS A 433 8.050 -9.413 -15.383 1.00 0.00 H new ATOM 0 HE3 LYS A 433 7.607 -7.890 -14.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 7.155 -7.873 -17.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 8.353 -6.728 -16.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 8.782 -8.204 -17.356 1.00 0.00 H new ATOM 158 N ARG A 434 10.276 -9.788 -8.969 1.00 0.00 N ATOM 159 CA ARG A 434 10.434 -9.174 -7.656 1.00 0.00 C ATOM 160 C ARG A 434 10.056 -7.696 -7.697 1.00 0.00 C ATOM 161 O ARG A 434 10.811 -6.840 -7.239 1.00 0.00 O ATOM 162 CB ARG A 434 11.876 -9.329 -7.167 1.00 0.00 C ATOM 163 CG ARG A 434 12.332 -10.775 -7.063 1.00 0.00 C ATOM 164 CD ARG A 434 11.794 -11.439 -5.805 1.00 0.00 C ATOM 165 NE ARG A 434 12.536 -12.651 -5.466 1.00 0.00 N ATOM 166 CZ ARG A 434 12.069 -13.597 -4.659 1.00 0.00 C ATOM 167 NH1 ARG A 434 10.868 -13.472 -4.110 1.00 0.00 N ATOM 168 NH2 ARG A 434 12.804 -14.671 -4.399 1.00 0.00 N ATOM 0 H ARG A 434 9.912 -10.741 -8.949 1.00 0.00 H new ATOM 0 HA ARG A 434 9.765 -9.683 -6.962 1.00 0.00 H new ATOM 0 HB2 ARG A 434 12.540 -8.795 -7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 434 11.972 -8.855 -6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 434 11.995 -11.328 -7.940 1.00 0.00 H new ATOM 0 HG3 ARG A 434 13.421 -10.815 -7.060 1.00 0.00 H new ATOM 0 HD2 ARG A 434 11.847 -10.737 -4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 434 10.742 -11.686 -5.947 1.00 0.00 H new ATOM 0 HE ARG A 434 13.463 -12.778 -5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 434 10.300 -12.648 -4.307 1.00 0.00 H new ATOM 0 HH12 ARG A 434 10.512 -14.200 -3.491 1.00 0.00 H new ATOM 0 HH21 ARG A 434 13.728 -14.770 -4.819 1.00 0.00 H new ATOM 0 HH22 ARG A 434 12.445 -15.397 -3.779 1.00 0.00 H new ATOM 182 N GLU A 435 8.882 -7.407 -8.249 1.00 0.00 N ATOM 183 CA GLU A 435 8.404 -6.033 -8.351 1.00 0.00 C ATOM 184 C GLU A 435 6.920 -5.946 -8.010 1.00 0.00 C ATOM 185 O GLU A 435 6.147 -6.857 -8.312 1.00 0.00 O ATOM 186 CB GLU A 435 8.648 -5.488 -9.760 1.00 0.00 C ATOM 187 CG GLU A 435 8.773 -3.974 -9.814 1.00 0.00 C ATOM 188 CD GLU A 435 9.285 -3.479 -11.152 1.00 0.00 C ATOM 189 OE1 GLU A 435 10.496 -3.631 -11.417 1.00 0.00 O ATOM 190 OE2 GLU A 435 8.476 -2.939 -11.935 1.00 0.00 O ATOM 0 H GLU A 435 8.245 -8.105 -8.632 1.00 0.00 H new ATOM 0 HA GLU A 435 8.959 -5.428 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 435 9.559 -5.934 -10.160 1.00 0.00 H new ATOM 0 HB3 GLU A 435 7.829 -5.800 -10.408 1.00 0.00 H new ATOM 0 HG2 GLU A 435 7.800 -3.525 -9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 435 9.447 -3.640 -9.025 1.00 0.00 H new ATOM 197 N LEU A 436 6.527 -4.845 -7.379 1.00 0.00 N ATOM 198 CA LEU A 436 5.135 -4.637 -6.996 1.00 0.00 C ATOM 199 C LEU A 436 4.274 -4.327 -8.217 1.00 0.00 C ATOM 200 O LEU A 436 4.415 -3.272 -8.837 1.00 0.00 O ATOM 201 CB LEU A 436 5.029 -3.499 -5.980 1.00 0.00 C ATOM 202 CG LEU A 436 3.620 -2.969 -5.710 1.00 0.00 C ATOM 203 CD1 LEU A 436 2.820 -3.972 -4.894 1.00 0.00 C ATOM 204 CD2 LEU A 436 3.683 -1.626 -4.996 1.00 0.00 C ATOM 0 H LEU A 436 7.153 -4.082 -7.122 1.00 0.00 H new ATOM 0 HA LEU A 436 4.768 -5.557 -6.541 1.00 0.00 H new ATOM 0 HB2 LEU A 436 5.454 -3.841 -5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 436 5.647 -2.671 -6.327 1.00 0.00 H new ATOM 0 HG LEU A 436 3.117 -2.826 -6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 436 1.820 -3.578 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 436 2.745 -4.911 -5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 436 3.320 -4.148 -3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 436 2.671 -1.264 -4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 436 4.205 -1.743 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.218 -0.908 -5.618 1.00 0.00 H new ATOM 216 N CYS A 437 3.382 -5.250 -8.555 1.00 0.00 N ATOM 217 CA CYS A 437 2.496 -5.076 -9.700 1.00 0.00 C ATOM 218 C CYS A 437 1.934 -3.658 -9.742 1.00 0.00 C ATOM 219 O CYS A 437 1.615 -3.073 -8.706 1.00 0.00 O ATOM 220 CB CYS A 437 1.351 -6.089 -9.646 1.00 0.00 C ATOM 221 SG CYS A 437 0.383 -6.201 -11.185 1.00 0.00 S ATOM 0 H CYS A 437 3.253 -6.128 -8.052 1.00 0.00 H new ATOM 0 HA CYS A 437 3.078 -5.245 -10.606 1.00 0.00 H new ATOM 0 HB2 CYS A 437 1.761 -7.072 -9.415 1.00 0.00 H new ATOM 0 HB3 CYS A 437 0.682 -5.822 -8.828 1.00 0.00 H new ATOM 0 HG CYS A 437 0.683 -7.302 -11.807 1.00 0.00 H new ATOM 226 N LYS A 438 1.814 -3.109 -10.946 1.00 0.00 N ATOM 227 CA LYS A 438 1.289 -1.761 -11.125 1.00 0.00 C ATOM 228 C LYS A 438 -0.234 -1.756 -11.052 1.00 0.00 C ATOM 229 O LYS A 438 -0.864 -0.698 -11.077 1.00 0.00 O ATOM 230 CB LYS A 438 1.748 -1.186 -12.467 1.00 0.00 C ATOM 231 CG LYS A 438 0.782 -1.457 -13.607 1.00 0.00 C ATOM 232 CD LYS A 438 1.517 -1.725 -14.909 1.00 0.00 C ATOM 233 CE LYS A 438 1.832 -3.204 -15.077 1.00 0.00 C ATOM 234 NZ LYS A 438 3.209 -3.534 -14.614 1.00 0.00 N ATOM 0 H LYS A 438 2.074 -3.578 -11.814 1.00 0.00 H new ATOM 0 HA LYS A 438 1.676 -1.138 -10.319 1.00 0.00 H new ATOM 0 HB2 LYS A 438 1.883 -0.109 -12.364 1.00 0.00 H new ATOM 0 HB3 LYS A 438 2.722 -1.607 -12.719 1.00 0.00 H new ATOM 0 HG2 LYS A 438 0.156 -2.314 -13.359 1.00 0.00 H new ATOM 0 HG3 LYS A 438 0.117 -0.602 -13.733 1.00 0.00 H new ATOM 0 HD2 LYS A 438 0.910 -1.384 -15.748 1.00 0.00 H new ATOM 0 HD3 LYS A 438 2.443 -1.150 -14.931 1.00 0.00 H new ATOM 0 HE2 LYS A 438 1.109 -3.795 -14.516 1.00 0.00 H new ATOM 0 HE3 LYS A 438 1.725 -3.481 -16.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 3.479 -4.473 -14.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 3.876 -2.822 -14.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 3.234 -3.538 -13.574 1.00 0.00 H new ATOM 248 N PHE A 439 -0.821 -2.945 -10.962 1.00 0.00 N ATOM 249 CA PHE A 439 -2.272 -3.077 -10.885 1.00 0.00 C ATOM 250 C PHE A 439 -2.702 -3.546 -9.498 1.00 0.00 C ATOM 251 O PHE A 439 -3.536 -2.915 -8.848 1.00 0.00 O ATOM 252 CB PHE A 439 -2.772 -4.059 -11.946 1.00 0.00 C ATOM 253 CG PHE A 439 -2.875 -3.458 -13.318 1.00 0.00 C ATOM 254 CD1 PHE A 439 -1.795 -3.488 -14.185 1.00 0.00 C ATOM 255 CD2 PHE A 439 -4.052 -2.862 -13.742 1.00 0.00 C ATOM 256 CE1 PHE A 439 -1.886 -2.935 -15.448 1.00 0.00 C ATOM 257 CE2 PHE A 439 -4.150 -2.308 -15.004 1.00 0.00 C ATOM 258 CZ PHE A 439 -3.066 -2.345 -15.859 1.00 0.00 C ATOM 0 H PHE A 439 -0.315 -3.830 -10.941 1.00 0.00 H new ATOM 0 HA PHE A 439 -2.712 -2.097 -11.070 1.00 0.00 H new ATOM 0 HB2 PHE A 439 -2.099 -4.915 -11.983 1.00 0.00 H new ATOM 0 HB3 PHE A 439 -3.751 -4.436 -11.649 1.00 0.00 H new ATOM 0 HD1 PHE A 439 -0.871 -3.949 -13.870 1.00 0.00 H new ATOM 0 HD2 PHE A 439 -4.903 -2.830 -13.078 1.00 0.00 H new ATOM 0 HE1 PHE A 439 -1.036 -2.964 -16.113 1.00 0.00 H new ATOM 0 HE2 PHE A 439 -5.073 -1.846 -15.322 1.00 0.00 H new ATOM 0 HZ PHE A 439 -3.140 -1.914 -16.846 1.00 0.00 H new ATOM 268 N TYR A 440 -2.129 -4.658 -9.052 1.00 0.00 N ATOM 269 CA TYR A 440 -2.455 -5.215 -7.744 1.00 0.00 C ATOM 270 C TYR A 440 -2.557 -4.113 -6.693 1.00 0.00 C ATOM 271 O TYR A 440 -3.219 -4.277 -5.669 1.00 0.00 O ATOM 272 CB TYR A 440 -1.398 -6.238 -7.325 1.00 0.00 C ATOM 273 CG TYR A 440 -1.735 -6.964 -6.041 1.00 0.00 C ATOM 274 CD1 TYR A 440 -2.831 -7.814 -5.968 1.00 0.00 C ATOM 275 CD2 TYR A 440 -0.957 -6.798 -4.902 1.00 0.00 C ATOM 276 CE1 TYR A 440 -3.142 -8.479 -4.797 1.00 0.00 C ATOM 277 CE2 TYR A 440 -1.260 -7.460 -3.728 1.00 0.00 C ATOM 278 CZ TYR A 440 -2.354 -8.299 -3.680 1.00 0.00 C ATOM 279 OH TYR A 440 -2.660 -8.958 -2.512 1.00 0.00 O ATOM 0 H TYR A 440 -1.436 -5.192 -9.577 1.00 0.00 H new ATOM 0 HA TYR A 440 -3.422 -5.711 -7.819 1.00 0.00 H new ATOM 0 HB2 TYR A 440 -1.274 -6.969 -8.124 1.00 0.00 H new ATOM 0 HB3 TYR A 440 -0.441 -5.731 -7.206 1.00 0.00 H new ATOM 0 HD1 TYR A 440 -3.451 -7.958 -6.841 1.00 0.00 H new ATOM 0 HD2 TYR A 440 -0.101 -6.140 -4.935 1.00 0.00 H new ATOM 0 HE1 TYR A 440 -3.998 -9.136 -4.757 1.00 0.00 H new ATOM 0 HE2 TYR A 440 -0.644 -7.321 -2.852 1.00 0.00 H new ATOM 0 HH TYR A 440 -2.562 -8.344 -1.755 1.00 0.00 H new ATOM 289 N ILE A 441 -1.896 -2.991 -6.957 1.00 0.00 N ATOM 290 CA ILE A 441 -1.913 -1.861 -6.036 1.00 0.00 C ATOM 291 C ILE A 441 -3.340 -1.499 -5.637 1.00 0.00 C ATOM 292 O ILE A 441 -3.612 -1.183 -4.478 1.00 0.00 O ATOM 293 CB ILE A 441 -1.234 -0.623 -6.651 1.00 0.00 C ATOM 294 CG1 ILE A 441 0.239 -0.914 -6.942 1.00 0.00 C ATOM 295 CG2 ILE A 441 -1.369 0.573 -5.720 1.00 0.00 C ATOM 296 CD1 ILE A 441 0.855 0.031 -7.950 1.00 0.00 C ATOM 0 H ILE A 441 -1.342 -2.840 -7.800 1.00 0.00 H new ATOM 0 HA ILE A 441 -1.357 -2.167 -5.150 1.00 0.00 H new ATOM 0 HB ILE A 441 -1.731 -0.385 -7.592 1.00 0.00 H new ATOM 0 HG12 ILE A 441 0.803 -0.857 -6.011 1.00 0.00 H new ATOM 0 HG13 ILE A 441 0.333 -1.936 -7.310 1.00 0.00 H new ATOM 0 HG21 ILE A 441 -0.884 1.440 -6.169 1.00 0.00 H new ATOM 0 HG22 ILE A 441 -2.425 0.791 -5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 441 -0.895 0.346 -4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 441 1.900 -0.235 -8.107 1.00 0.00 H new ATOM 0 HD12 ILE A 441 0.316 -0.043 -8.895 1.00 0.00 H new ATOM 0 HD13 ILE A 441 0.793 1.053 -7.576 1.00 0.00 H new ATOM 308 N THR A 442 -4.250 -1.547 -6.605 1.00 0.00 N ATOM 309 CA THR A 442 -5.649 -1.225 -6.355 1.00 0.00 C ATOM 310 C THR A 442 -6.483 -2.490 -6.185 1.00 0.00 C ATOM 311 O THR A 442 -7.707 -2.429 -6.078 1.00 0.00 O ATOM 312 CB THR A 442 -6.244 -0.382 -7.499 1.00 0.00 C ATOM 313 OG1 THR A 442 -6.044 -1.046 -8.752 1.00 0.00 O ATOM 314 CG2 THR A 442 -5.606 0.998 -7.543 1.00 0.00 C ATOM 0 H THR A 442 -4.043 -1.806 -7.570 1.00 0.00 H new ATOM 0 HA THR A 442 -5.680 -0.646 -5.432 1.00 0.00 H new ATOM 0 HB THR A 442 -7.312 -0.265 -7.317 1.00 0.00 H new ATOM 0 HG1 THR A 442 -6.426 -0.505 -9.474 1.00 0.00 H new ATOM 0 HG21 THR A 442 -6.042 1.575 -8.359 1.00 0.00 H new ATOM 0 HG22 THR A 442 -5.785 1.512 -6.599 1.00 0.00 H new ATOM 0 HG23 THR A 442 -4.533 0.898 -7.703 1.00 0.00 H new ATOM 322 N GLY A 443 -5.811 -3.637 -6.159 1.00 0.00 N ATOM 323 CA GLY A 443 -6.506 -4.901 -6.000 1.00 0.00 C ATOM 324 C GLY A 443 -7.123 -5.390 -7.296 1.00 0.00 C ATOM 325 O GLY A 443 -7.595 -6.524 -7.377 1.00 0.00 O ATOM 0 H GLY A 443 -4.798 -3.713 -6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -5.809 -5.651 -5.627 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -7.287 -4.791 -5.248 1.00 0.00 H new ATOM 329 N PHE A 444 -7.120 -4.533 -8.311 1.00 0.00 N ATOM 330 CA PHE A 444 -7.686 -4.883 -9.609 1.00 0.00 C ATOM 331 C PHE A 444 -6.589 -5.285 -10.590 1.00 0.00 C ATOM 332 O PHE A 444 -5.907 -4.432 -11.160 1.00 0.00 O ATOM 333 CB PHE A 444 -8.486 -3.708 -10.174 1.00 0.00 C ATOM 334 CG PHE A 444 -9.266 -4.052 -11.411 1.00 0.00 C ATOM 335 CD1 PHE A 444 -8.614 -4.321 -12.604 1.00 0.00 C ATOM 336 CD2 PHE A 444 -10.650 -4.109 -11.380 1.00 0.00 C ATOM 337 CE1 PHE A 444 -9.329 -4.638 -13.743 1.00 0.00 C ATOM 338 CE2 PHE A 444 -11.370 -4.426 -12.517 1.00 0.00 C ATOM 339 CZ PHE A 444 -10.708 -4.691 -13.699 1.00 0.00 C ATOM 0 H PHE A 444 -6.732 -3.591 -8.260 1.00 0.00 H new ATOM 0 HA PHE A 444 -8.353 -5.734 -9.469 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -9.174 -3.346 -9.410 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -7.803 -2.890 -10.401 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -7.535 -4.282 -12.644 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -11.172 -3.903 -10.457 1.00 0.00 H new ATOM 0 HE1 PHE A 444 -8.810 -4.844 -14.667 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -12.449 -4.466 -12.480 1.00 0.00 H new ATOM 0 HZ PHE A 444 -11.268 -4.940 -14.588 1.00 0.00 H new ATOM 349 N CYS A 445 -6.423 -6.589 -10.782 1.00 0.00 N ATOM 350 CA CYS A 445 -5.409 -7.106 -11.692 1.00 0.00 C ATOM 351 C CYS A 445 -6.003 -8.152 -12.631 1.00 0.00 C ATOM 352 O CYS A 445 -6.564 -9.153 -12.187 1.00 0.00 O ATOM 353 CB CYS A 445 -4.248 -7.714 -10.903 1.00 0.00 C ATOM 354 SG CYS A 445 -2.897 -8.355 -11.944 1.00 0.00 S ATOM 0 H CYS A 445 -6.979 -7.308 -10.319 1.00 0.00 H new ATOM 0 HA CYS A 445 -5.037 -6.275 -12.291 1.00 0.00 H new ATOM 0 HB2 CYS A 445 -3.846 -6.958 -10.229 1.00 0.00 H new ATOM 0 HB3 CYS A 445 -4.630 -8.524 -10.282 1.00 0.00 H new ATOM 0 HG CYS A 445 -3.057 -9.632 -12.124 1.00 0.00 H new ATOM 359 N ALA A 446 -5.876 -7.911 -13.932 1.00 0.00 N ATOM 360 CA ALA A 446 -6.398 -8.832 -14.934 1.00 0.00 C ATOM 361 C ALA A 446 -5.859 -10.242 -14.718 1.00 0.00 C ATOM 362 O ALA A 446 -6.624 -11.186 -14.520 1.00 0.00 O ATOM 363 CB ALA A 446 -6.053 -8.342 -16.333 1.00 0.00 C ATOM 0 H ALA A 446 -5.416 -7.086 -14.316 1.00 0.00 H new ATOM 0 HA ALA A 446 -7.482 -8.866 -14.830 1.00 0.00 H new ATOM 0 HB1 ALA A 446 -6.449 -9.040 -17.071 1.00 0.00 H new ATOM 0 HB2 ALA A 446 -6.492 -7.357 -16.492 1.00 0.00 H new ATOM 0 HB3 ALA A 446 -4.970 -8.278 -16.439 1.00 0.00 H new ATOM 369 N ARG A 447 -4.537 -10.377 -14.758 1.00 0.00 N ATOM 370 CA ARG A 447 -3.896 -11.673 -14.568 1.00 0.00 C ATOM 371 C ARG A 447 -3.620 -11.932 -13.089 1.00 0.00 C ATOM 372 O ARG A 447 -2.735 -11.316 -12.496 1.00 0.00 O ATOM 373 CB ARG A 447 -2.590 -11.740 -15.361 1.00 0.00 C ATOM 374 CG ARG A 447 -2.788 -11.686 -16.867 1.00 0.00 C ATOM 375 CD ARG A 447 -1.462 -11.541 -17.598 1.00 0.00 C ATOM 376 NE ARG A 447 -1.644 -11.415 -19.041 1.00 0.00 N ATOM 377 CZ ARG A 447 -0.727 -10.907 -19.856 1.00 0.00 C ATOM 378 NH1 ARG A 447 0.432 -10.480 -19.372 1.00 0.00 N ATOM 379 NH2 ARG A 447 -0.966 -10.826 -21.159 1.00 0.00 N ATOM 0 H ARG A 447 -3.890 -9.606 -14.920 1.00 0.00 H new ATOM 0 HA ARG A 447 -4.575 -12.443 -14.933 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.948 -10.913 -15.058 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -2.066 -12.661 -15.105 1.00 0.00 H new ATOM 0 HG2 ARG A 447 -3.292 -12.593 -17.202 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -3.438 -10.848 -17.120 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -0.934 -10.665 -17.221 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -0.835 -12.407 -17.386 1.00 0.00 H new ATOM 0 HE ARG A 447 -2.524 -11.735 -19.445 1.00 0.00 H new ATOM 0 HH11 ARG A 447 0.621 -10.541 -18.371 1.00 0.00 H new ATOM 0 HH12 ARG A 447 1.135 -10.090 -20.000 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -1.855 -11.154 -21.536 1.00 0.00 H new ATOM 0 HH22 ARG A 447 -0.260 -10.435 -21.784 1.00 0.00 H new ATOM 393 N ALA A 448 -4.385 -12.846 -12.501 1.00 0.00 N ATOM 394 CA ALA A 448 -4.222 -13.187 -11.094 1.00 0.00 C ATOM 395 C ALA A 448 -3.083 -14.182 -10.898 1.00 0.00 C ATOM 396 O ALA A 448 -1.989 -13.811 -10.475 1.00 0.00 O ATOM 397 CB ALA A 448 -5.520 -13.750 -10.534 1.00 0.00 C ATOM 0 H ALA A 448 -5.124 -13.363 -12.978 1.00 0.00 H new ATOM 0 HA ALA A 448 -3.970 -12.276 -10.552 1.00 0.00 H new ATOM 0 HB1 ALA A 448 -5.384 -14.001 -9.482 1.00 0.00 H new ATOM 0 HB2 ALA A 448 -6.311 -13.006 -10.631 1.00 0.00 H new ATOM 0 HB3 ALA A 448 -5.796 -14.647 -11.088 1.00 0.00 H new ATOM 403 N GLU A 449 -3.349 -15.447 -11.208 1.00 0.00 N ATOM 404 CA GLU A 449 -2.346 -16.495 -11.064 1.00 0.00 C ATOM 405 C GLU A 449 -1.416 -16.529 -12.274 1.00 0.00 C ATOM 406 O GLU A 449 -0.829 -17.562 -12.590 1.00 0.00 O ATOM 407 CB GLU A 449 -3.020 -17.857 -10.888 1.00 0.00 C ATOM 408 CG GLU A 449 -2.093 -18.930 -10.341 1.00 0.00 C ATOM 409 CD GLU A 449 -2.726 -20.308 -10.349 1.00 0.00 C ATOM 410 OE1 GLU A 449 -3.726 -20.505 -9.627 1.00 0.00 O ATOM 411 OE2 GLU A 449 -2.222 -21.188 -11.076 1.00 0.00 O ATOM 0 H GLU A 449 -4.250 -15.770 -11.560 1.00 0.00 H new ATOM 0 HA GLU A 449 -1.753 -16.274 -10.177 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -3.871 -17.747 -10.216 1.00 0.00 H new ATOM 0 HB3 GLU A 449 -3.414 -18.185 -11.850 1.00 0.00 H new ATOM 0 HG2 GLU A 449 -1.178 -18.951 -10.934 1.00 0.00 H new ATOM 0 HG3 GLU A 449 -1.806 -18.672 -9.322 1.00 0.00 H new ATOM 418 N ASN A 450 -1.290 -15.390 -12.947 1.00 0.00 N ATOM 419 CA ASN A 450 -0.434 -15.288 -14.123 1.00 0.00 C ATOM 420 C ASN A 450 0.448 -14.045 -14.049 1.00 0.00 C ATOM 421 O ASN A 450 1.233 -13.771 -14.957 1.00 0.00 O ATOM 422 CB ASN A 450 -1.282 -15.249 -15.396 1.00 0.00 C ATOM 423 CG ASN A 450 -1.744 -16.629 -15.825 1.00 0.00 C ATOM 424 OD1 ASN A 450 -1.338 -17.638 -15.249 1.00 0.00 O ATOM 425 ND2 ASN A 450 -2.596 -16.677 -16.842 1.00 0.00 N ATOM 0 H ASN A 450 -1.770 -14.525 -12.698 1.00 0.00 H new ATOM 0 HA ASN A 450 0.209 -16.168 -14.149 1.00 0.00 H new ATOM 0 HB2 ASN A 450 -2.151 -14.613 -15.231 1.00 0.00 H new ATOM 0 HB3 ASN A 450 -0.704 -14.796 -16.201 1.00 0.00 H new ATOM 0 HD21 ASN A 450 -2.941 -17.577 -17.176 1.00 0.00 H new ATOM 0 HD22 ASN A 450 -2.905 -15.814 -17.289 1.00 0.00 H new ATOM 432 N CYS A 451 0.313 -13.295 -12.960 1.00 0.00 N ATOM 433 CA CYS A 451 1.096 -12.081 -12.765 1.00 0.00 C ATOM 434 C CYS A 451 2.509 -12.415 -12.297 1.00 0.00 C ATOM 435 O CYS A 451 2.725 -12.891 -11.182 1.00 0.00 O ATOM 436 CB CYS A 451 0.412 -11.167 -11.746 1.00 0.00 C ATOM 437 SG CYS A 451 0.958 -9.430 -11.822 1.00 0.00 S ATOM 0 H CYS A 451 -0.332 -13.507 -12.199 1.00 0.00 H new ATOM 0 HA CYS A 451 1.162 -11.563 -13.722 1.00 0.00 H new ATOM 0 HB2 CYS A 451 -0.666 -11.205 -11.905 1.00 0.00 H new ATOM 0 HB3 CYS A 451 0.600 -11.553 -10.744 1.00 0.00 H new ATOM 0 HG CYS A 451 0.527 -8.793 -10.774 1.00 0.00 H new ATOM 442 N PRO A 452 3.497 -12.159 -13.168 1.00 0.00 N ATOM 443 CA PRO A 452 4.907 -12.424 -12.867 1.00 0.00 C ATOM 444 C PRO A 452 5.461 -11.475 -11.810 1.00 0.00 C ATOM 445 O PRO A 452 6.654 -11.498 -11.506 1.00 0.00 O ATOM 446 CB PRO A 452 5.605 -12.195 -14.210 1.00 0.00 C ATOM 447 CG PRO A 452 4.713 -11.256 -14.946 1.00 0.00 C ATOM 448 CD PRO A 452 3.312 -11.591 -14.514 1.00 0.00 C ATOM 0 HA PRO A 452 5.057 -13.423 -12.459 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.599 -11.770 -14.072 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.731 -13.130 -14.755 1.00 0.00 H new ATOM 0 HG2 PRO A 452 4.957 -10.220 -14.710 1.00 0.00 H new ATOM 0 HG3 PRO A 452 4.828 -11.373 -16.024 1.00 0.00 H new ATOM 0 HD2 PRO A 452 2.676 -10.706 -14.493 1.00 0.00 H new ATOM 0 HD3 PRO A 452 2.843 -12.305 -15.191 1.00 0.00 H new ATOM 456 N TYR A 453 4.589 -10.644 -11.252 1.00 0.00 N ATOM 457 CA TYR A 453 4.992 -9.686 -10.229 1.00 0.00 C ATOM 458 C TYR A 453 4.643 -10.197 -8.835 1.00 0.00 C ATOM 459 O TYR A 453 4.155 -11.316 -8.677 1.00 0.00 O ATOM 460 CB TYR A 453 4.319 -8.334 -10.472 1.00 0.00 C ATOM 461 CG TYR A 453 4.957 -7.531 -11.583 1.00 0.00 C ATOM 462 CD1 TYR A 453 4.884 -7.955 -12.904 1.00 0.00 C ATOM 463 CD2 TYR A 453 5.633 -6.348 -11.312 1.00 0.00 C ATOM 464 CE1 TYR A 453 5.466 -7.225 -13.922 1.00 0.00 C ATOM 465 CE2 TYR A 453 6.217 -5.610 -12.324 1.00 0.00 C ATOM 466 CZ TYR A 453 6.131 -6.053 -13.627 1.00 0.00 C ATOM 467 OH TYR A 453 6.712 -5.322 -14.638 1.00 0.00 O ATOM 0 H TYR A 453 3.598 -10.614 -11.491 1.00 0.00 H new ATOM 0 HA TYR A 453 6.073 -9.562 -10.290 1.00 0.00 H new ATOM 0 HB2 TYR A 453 3.268 -8.498 -10.711 1.00 0.00 H new ATOM 0 HB3 TYR A 453 4.349 -7.752 -9.551 1.00 0.00 H new ATOM 0 HD1 TYR A 453 4.363 -8.871 -13.139 1.00 0.00 H new ATOM 0 HD2 TYR A 453 5.703 -5.999 -10.292 1.00 0.00 H new ATOM 0 HE1 TYR A 453 5.401 -7.570 -14.943 1.00 0.00 H new ATOM 0 HE2 TYR A 453 6.738 -4.692 -12.096 1.00 0.00 H new ATOM 0 HH TYR A 453 7.139 -4.524 -14.261 1.00 0.00 H new ATOM 477 N MET A 454 4.896 -9.369 -7.827 1.00 0.00 N ATOM 478 CA MET A 454 4.606 -9.736 -6.446 1.00 0.00 C ATOM 479 C MET A 454 3.244 -9.202 -6.016 1.00 0.00 C ATOM 480 O MET A 454 2.909 -8.045 -6.274 1.00 0.00 O ATOM 481 CB MET A 454 5.695 -9.199 -5.514 1.00 0.00 C ATOM 482 CG MET A 454 7.035 -9.895 -5.680 1.00 0.00 C ATOM 483 SD MET A 454 7.109 -11.476 -4.816 1.00 0.00 S ATOM 484 CE MET A 454 8.095 -11.035 -3.388 1.00 0.00 C ATOM 0 H MET A 454 5.301 -8.440 -7.941 1.00 0.00 H new ATOM 0 HA MET A 454 4.586 -10.824 -6.382 1.00 0.00 H new ATOM 0 HB2 MET A 454 5.824 -8.132 -5.696 1.00 0.00 H new ATOM 0 HB3 MET A 454 5.364 -9.308 -4.481 1.00 0.00 H new ATOM 0 HG2 MET A 454 7.227 -10.056 -6.741 1.00 0.00 H new ATOM 0 HG3 MET A 454 7.826 -9.245 -5.308 1.00 0.00 H new ATOM 0 HE1 MET A 454 8.230 -11.911 -2.754 1.00 0.00 H new ATOM 0 HE2 MET A 454 9.069 -10.672 -3.716 1.00 0.00 H new ATOM 0 HE3 MET A 454 7.588 -10.253 -2.823 1.00 0.00 H new ATOM 494 N HIS A 455 2.461 -10.052 -5.359 1.00 0.00 N ATOM 495 CA HIS A 455 1.134 -9.665 -4.893 1.00 0.00 C ATOM 496 C HIS A 455 1.053 -9.727 -3.371 1.00 0.00 C ATOM 497 O HIS A 455 1.070 -8.699 -2.695 1.00 0.00 O ATOM 498 CB HIS A 455 0.069 -10.572 -5.510 1.00 0.00 C ATOM 499 CG HIS A 455 -0.322 -10.177 -6.901 1.00 0.00 C ATOM 500 ND1 HIS A 455 -1.566 -10.439 -7.436 1.00 0.00 N ATOM 501 CD2 HIS A 455 0.374 -9.535 -7.867 1.00 0.00 C ATOM 502 CE1 HIS A 455 -1.617 -9.976 -8.672 1.00 0.00 C ATOM 503 NE2 HIS A 455 -0.452 -9.422 -8.958 1.00 0.00 N ATOM 0 H HIS A 455 2.722 -11.013 -5.137 1.00 0.00 H new ATOM 0 HA HIS A 455 0.951 -8.637 -5.207 1.00 0.00 H new ATOM 0 HB2 HIS A 455 0.440 -11.597 -5.523 1.00 0.00 H new ATOM 0 HB3 HIS A 455 -0.817 -10.562 -4.876 1.00 0.00 H new ATOM 0 HD1 HIS A 455 -2.327 -10.916 -6.953 1.00 0.00 H new ATOM 0 HD2 HIS A 455 1.391 -9.178 -7.794 1.00 0.00 H new ATOM 0 HE1 HIS A 455 -2.466 -10.039 -9.336 1.00 0.00 H new ATOM 511 N GLY A 456 0.963 -10.942 -2.837 1.00 0.00 N ATOM 512 CA GLY A 456 0.880 -11.116 -1.398 1.00 0.00 C ATOM 513 C GLY A 456 2.234 -11.022 -0.724 1.00 0.00 C ATOM 514 O GLY A 456 2.464 -10.137 0.101 1.00 0.00 O ATOM 0 H GLY A 456 0.946 -11.808 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 456 0.217 -10.358 -0.981 1.00 0.00 H new ATOM 0 HA3 GLY A 456 0.434 -12.086 -1.177 1.00 0.00 H new ATOM 518 N ASP A 457 3.132 -11.936 -1.073 1.00 0.00 N ATOM 519 CA ASP A 457 4.471 -11.954 -0.495 1.00 0.00 C ATOM 520 C ASP A 457 4.965 -10.536 -0.227 1.00 0.00 C ATOM 521 O ASP A 457 5.423 -10.224 0.873 1.00 0.00 O ATOM 522 CB ASP A 457 5.443 -12.679 -1.427 1.00 0.00 C ATOM 523 CG ASP A 457 4.902 -14.012 -1.905 1.00 0.00 C ATOM 524 OD1 ASP A 457 4.958 -14.988 -1.128 1.00 0.00 O ATOM 525 OD2 ASP A 457 4.420 -14.079 -3.055 1.00 0.00 O ATOM 0 H ASP A 457 2.957 -12.675 -1.754 1.00 0.00 H new ATOM 0 HA ASP A 457 4.424 -12.489 0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 457 5.655 -12.046 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 457 6.388 -12.839 -0.908 1.00 0.00 H new ATOM 530 N PHE A 458 4.872 -9.681 -1.240 1.00 0.00 N ATOM 531 CA PHE A 458 5.312 -8.296 -1.115 1.00 0.00 C ATOM 532 C PHE A 458 4.927 -7.724 0.247 1.00 0.00 C ATOM 533 O PHE A 458 3.761 -7.724 0.641 1.00 0.00 O ATOM 534 CB PHE A 458 4.703 -7.442 -2.229 1.00 0.00 C ATOM 535 CG PHE A 458 5.420 -6.141 -2.448 1.00 0.00 C ATOM 536 CD1 PHE A 458 6.692 -6.120 -2.997 1.00 0.00 C ATOM 537 CD2 PHE A 458 4.823 -4.939 -2.105 1.00 0.00 C ATOM 538 CE1 PHE A 458 7.355 -4.924 -3.198 1.00 0.00 C ATOM 539 CE2 PHE A 458 5.480 -3.740 -2.305 1.00 0.00 C ATOM 540 CZ PHE A 458 6.748 -3.733 -2.853 1.00 0.00 C ATOM 0 H PHE A 458 4.496 -9.923 -2.157 1.00 0.00 H new ATOM 0 HA PHE A 458 6.398 -8.277 -1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 458 4.710 -8.012 -3.158 1.00 0.00 H new ATOM 0 HB3 PHE A 458 3.660 -7.237 -1.989 1.00 0.00 H new ATOM 0 HD1 PHE A 458 7.171 -7.049 -3.271 1.00 0.00 H new ATOM 0 HD2 PHE A 458 3.832 -4.939 -1.676 1.00 0.00 H new ATOM 0 HE1 PHE A 458 8.347 -4.921 -3.625 1.00 0.00 H new ATOM 0 HE2 PHE A 458 5.003 -2.810 -2.033 1.00 0.00 H new ATOM 0 HZ PHE A 458 7.264 -2.797 -3.011 1.00 0.00 H new ATOM 550 N PRO A 459 5.932 -7.226 0.983 1.00 0.00 N ATOM 551 CA PRO A 459 5.725 -6.642 2.312 1.00 0.00 C ATOM 552 C PRO A 459 4.979 -5.313 2.251 1.00 0.00 C ATOM 553 O PRO A 459 5.065 -4.586 1.261 1.00 0.00 O ATOM 554 CB PRO A 459 7.149 -6.433 2.833 1.00 0.00 C ATOM 555 CG PRO A 459 7.986 -6.306 1.607 1.00 0.00 C ATOM 556 CD PRO A 459 7.346 -7.193 0.575 1.00 0.00 C ATOM 0 HA PRO A 459 5.114 -7.282 2.948 1.00 0.00 H new ATOM 0 HB2 PRO A 459 7.217 -5.539 3.453 1.00 0.00 H new ATOM 0 HB3 PRO A 459 7.473 -7.273 3.448 1.00 0.00 H new ATOM 0 HG2 PRO A 459 8.022 -5.272 1.264 1.00 0.00 H new ATOM 0 HG3 PRO A 459 9.013 -6.613 1.802 1.00 0.00 H new ATOM 0 HD2 PRO A 459 7.465 -6.790 -0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 459 7.787 -8.190 0.573 1.00 0.00 H new ATOM 564 N CYS A 460 4.247 -5.002 3.316 1.00 0.00 N ATOM 565 CA CYS A 460 3.486 -3.760 3.384 1.00 0.00 C ATOM 566 C CYS A 460 4.411 -2.567 3.608 1.00 0.00 C ATOM 567 O CYS A 460 5.430 -2.676 4.290 1.00 0.00 O ATOM 568 CB CYS A 460 2.450 -3.834 4.508 1.00 0.00 C ATOM 569 SG CYS A 460 1.094 -2.628 4.349 1.00 0.00 S ATOM 0 H CYS A 460 4.165 -5.593 4.143 1.00 0.00 H new ATOM 0 HA CYS A 460 2.972 -3.625 2.432 1.00 0.00 H new ATOM 0 HB2 CYS A 460 2.028 -4.839 4.533 1.00 0.00 H new ATOM 0 HB3 CYS A 460 2.953 -3.676 5.462 1.00 0.00 H new ATOM 0 HG CYS A 460 -0.047 -3.244 4.438 1.00 0.00 H new ATOM 574 N LYS A 461 4.048 -1.428 3.027 1.00 0.00 N ATOM 575 CA LYS A 461 4.843 -0.213 3.163 1.00 0.00 C ATOM 576 C LYS A 461 4.593 0.453 4.513 1.00 0.00 C ATOM 577 O LYS A 461 5.476 0.491 5.371 1.00 0.00 O ATOM 578 CB LYS A 461 4.514 0.765 2.032 1.00 0.00 C ATOM 579 CG LYS A 461 5.031 2.172 2.275 1.00 0.00 C ATOM 580 CD LYS A 461 5.265 2.914 0.970 1.00 0.00 C ATOM 581 CE LYS A 461 5.234 4.421 1.172 1.00 0.00 C ATOM 582 NZ LYS A 461 5.133 5.152 -0.122 1.00 0.00 N ATOM 0 H LYS A 461 3.209 -1.321 2.458 1.00 0.00 H new ATOM 0 HA LYS A 461 5.896 -0.489 3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 461 4.938 0.387 1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 461 3.433 0.802 1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 461 4.315 2.723 2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 461 5.962 2.126 2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 461 6.228 2.622 0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 461 4.503 2.627 0.246 1.00 0.00 H new ATOM 0 HE2 LYS A 461 4.387 4.685 1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 461 6.136 4.736 1.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 5.115 6.176 0.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 5.954 4.920 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 4.260 4.871 -0.612 1.00 0.00 H new ATOM 596 N LEU A 462 3.385 0.975 4.695 1.00 0.00 N ATOM 597 CA LEU A 462 3.019 1.638 5.942 1.00 0.00 C ATOM 598 C LEU A 462 3.495 0.833 7.147 1.00 0.00 C ATOM 599 O LEU A 462 4.279 1.321 7.962 1.00 0.00 O ATOM 600 CB LEU A 462 1.503 1.833 6.012 1.00 0.00 C ATOM 601 CG LEU A 462 0.942 3.017 5.223 1.00 0.00 C ATOM 602 CD1 LEU A 462 -0.578 2.982 5.218 1.00 0.00 C ATOM 603 CD2 LEU A 462 1.445 4.331 5.802 1.00 0.00 C ATOM 0 H LEU A 462 2.643 0.952 3.996 1.00 0.00 H new ATOM 0 HA LEU A 462 3.507 2.613 5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 462 1.023 0.923 5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 462 1.220 1.952 7.058 1.00 0.00 H new ATOM 0 HG LEU A 462 1.291 2.940 4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -0.960 3.832 4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -0.919 2.056 4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -0.946 3.033 6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 462 1.035 5.162 5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 462 1.127 4.416 6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 462 2.534 4.357 5.753 1.00 0.00 H new ATOM 615 N TYR A 463 3.019 -0.402 7.253 1.00 0.00 N ATOM 616 CA TYR A 463 3.396 -1.275 8.358 1.00 0.00 C ATOM 617 C TYR A 463 4.875 -1.117 8.697 1.00 0.00 C ATOM 618 O TYR A 463 5.296 -1.374 9.825 1.00 0.00 O ATOM 619 CB TYR A 463 3.094 -2.734 8.010 1.00 0.00 C ATOM 620 CG TYR A 463 3.338 -3.692 9.153 1.00 0.00 C ATOM 621 CD1 TYR A 463 2.378 -3.890 10.138 1.00 0.00 C ATOM 622 CD2 TYR A 463 4.529 -4.401 9.249 1.00 0.00 C ATOM 623 CE1 TYR A 463 2.597 -4.764 11.184 1.00 0.00 C ATOM 624 CE2 TYR A 463 4.757 -5.279 10.291 1.00 0.00 C ATOM 625 CZ TYR A 463 3.788 -5.456 11.257 1.00 0.00 C ATOM 626 OH TYR A 463 4.009 -6.329 12.297 1.00 0.00 O ATOM 0 H TYR A 463 2.371 -0.822 6.587 1.00 0.00 H new ATOM 0 HA TYR A 463 2.809 -0.988 9.230 1.00 0.00 H new ATOM 0 HB2 TYR A 463 2.054 -2.816 7.694 1.00 0.00 H new ATOM 0 HB3 TYR A 463 3.709 -3.031 7.161 1.00 0.00 H new ATOM 0 HD1 TYR A 463 1.444 -3.351 10.084 1.00 0.00 H new ATOM 0 HD2 TYR A 463 5.290 -4.263 8.495 1.00 0.00 H new ATOM 0 HE1 TYR A 463 1.840 -4.905 11.941 1.00 0.00 H new ATOM 0 HE2 TYR A 463 5.688 -5.823 10.349 1.00 0.00 H new ATOM 0 HH TYR A 463 4.895 -6.736 12.200 1.00 0.00 H new ATOM 636 N HIS A 464 5.659 -0.690 7.712 1.00 0.00 N ATOM 637 CA HIS A 464 7.091 -0.495 7.905 1.00 0.00 C ATOM 638 C HIS A 464 7.411 0.976 8.154 1.00 0.00 C ATOM 639 O HIS A 464 8.068 1.323 9.136 1.00 0.00 O ATOM 640 CB HIS A 464 7.864 -0.998 6.685 1.00 0.00 C ATOM 641 CG HIS A 464 7.826 -2.487 6.524 1.00 0.00 C ATOM 642 ND1 HIS A 464 7.912 -3.361 7.586 1.00 0.00 N ATOM 643 CD2 HIS A 464 7.708 -3.254 5.415 1.00 0.00 C ATOM 644 CE1 HIS A 464 7.851 -4.602 7.138 1.00 0.00 C ATOM 645 NE2 HIS A 464 7.727 -4.565 5.824 1.00 0.00 N ATOM 0 H HIS A 464 5.327 -0.473 6.773 1.00 0.00 H new ATOM 0 HA HIS A 464 7.396 -1.068 8.781 1.00 0.00 H new ATOM 0 HB2 HIS A 464 7.454 -0.533 5.788 1.00 0.00 H new ATOM 0 HB3 HIS A 464 8.902 -0.676 6.765 1.00 0.00 H new ATOM 0 HD1 HIS A 464 8.008 -3.092 8.565 1.00 0.00 H new ATOM 0 HD2 HIS A 464 7.616 -2.901 4.398 1.00 0.00 H new ATOM 0 HE1 HIS A 464 7.895 -5.495 7.744 1.00 0.00 H new ATOM 653 N THR A 465 6.943 1.838 7.256 1.00 0.00 N ATOM 654 CA THR A 465 7.180 3.271 7.377 1.00 0.00 C ATOM 655 C THR A 465 7.186 3.706 8.838 1.00 0.00 C ATOM 656 O THR A 465 7.946 4.592 9.231 1.00 0.00 O ATOM 657 CB THR A 465 6.116 4.083 6.615 1.00 0.00 C ATOM 658 OG1 THR A 465 4.832 3.898 7.221 1.00 0.00 O ATOM 659 CG2 THR A 465 6.058 3.663 5.154 1.00 0.00 C ATOM 0 H THR A 465 6.398 1.568 6.437 1.00 0.00 H new ATOM 0 HA THR A 465 8.158 3.468 6.939 1.00 0.00 H new ATOM 0 HB THR A 465 6.392 5.136 6.663 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.757 2.980 7.554 1.00 0.00 H new ATOM 0 HG21 THR A 465 5.299 4.250 4.636 1.00 0.00 H new ATOM 0 HG22 THR A 465 7.029 3.832 4.688 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.804 2.605 5.089 1.00 0.00 H new ATOM 667 N THR A 466 6.333 3.077 9.641 1.00 0.00 N ATOM 668 CA THR A 466 6.239 3.400 11.060 1.00 0.00 C ATOM 669 C THR A 466 6.238 2.136 11.912 1.00 0.00 C ATOM 670 O THR A 466 6.819 2.107 12.996 1.00 0.00 O ATOM 671 CB THR A 466 4.969 4.215 11.367 1.00 0.00 C ATOM 672 OG1 THR A 466 3.804 3.428 11.093 1.00 0.00 O ATOM 673 CG2 THR A 466 4.931 5.491 10.541 1.00 0.00 C ATOM 0 H THR A 466 5.697 2.341 9.333 1.00 0.00 H new ATOM 0 HA THR A 466 7.115 4.000 11.307 1.00 0.00 H new ATOM 0 HB THR A 466 4.984 4.486 12.423 1.00 0.00 H new ATOM 0 HG1 THR A 466 3.001 3.953 11.292 1.00 0.00 H new ATOM 0 HG21 THR A 466 4.025 6.049 10.776 1.00 0.00 H new ATOM 0 HG22 THR A 466 5.804 6.101 10.774 1.00 0.00 H new ATOM 0 HG23 THR A 466 4.937 5.238 9.481 1.00 0.00 H new ATOM 681 N GLY A 467 5.582 1.093 11.414 1.00 0.00 N ATOM 682 CA GLY A 467 5.518 -0.160 12.144 1.00 0.00 C ATOM 683 C GLY A 467 4.148 -0.805 12.071 1.00 0.00 C ATOM 684 O GLY A 467 4.034 -2.020 11.917 1.00 0.00 O ATOM 0 H GLY A 467 5.094 1.093 10.518 1.00 0.00 H new ATOM 0 HA2 GLY A 467 6.262 -0.849 11.743 1.00 0.00 H new ATOM 0 HA3 GLY A 467 5.777 0.018 13.188 1.00 0.00 H new ATOM 688 N ASN A 468 3.105 0.012 12.184 1.00 0.00 N ATOM 689 CA ASN A 468 1.735 -0.486 12.133 1.00 0.00 C ATOM 690 C ASN A 468 1.078 -0.134 10.802 1.00 0.00 C ATOM 691 O ASN A 468 1.581 0.701 10.050 1.00 0.00 O ATOM 692 CB ASN A 468 0.916 0.093 13.288 1.00 0.00 C ATOM 693 CG ASN A 468 0.956 1.608 13.322 1.00 0.00 C ATOM 694 OD1 ASN A 468 1.966 2.206 13.692 1.00 0.00 O ATOM 695 ND2 ASN A 468 -0.147 2.238 12.934 1.00 0.00 N ATOM 0 H ASN A 468 3.183 1.021 12.311 1.00 0.00 H new ATOM 0 HA ASN A 468 1.766 -1.571 12.227 1.00 0.00 H new ATOM 0 HB2 ASN A 468 -0.118 -0.239 13.198 1.00 0.00 H new ATOM 0 HB3 ASN A 468 1.296 -0.299 14.231 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -0.179 3.257 12.935 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -0.962 1.702 12.635 1.00 0.00 H new ATOM 702 N CYS A 469 -0.050 -0.776 10.517 1.00 0.00 N ATOM 703 CA CYS A 469 -0.777 -0.532 9.277 1.00 0.00 C ATOM 704 C CYS A 469 -2.170 0.022 9.564 1.00 0.00 C ATOM 705 O CYS A 469 -2.767 -0.277 10.599 1.00 0.00 O ATOM 706 CB CYS A 469 -0.888 -1.823 8.463 1.00 0.00 C ATOM 707 SG CYS A 469 -1.645 -1.604 6.821 1.00 0.00 S ATOM 0 H CYS A 469 -0.481 -1.470 11.128 1.00 0.00 H new ATOM 0 HA CYS A 469 -0.222 0.207 8.699 1.00 0.00 H new ATOM 0 HB2 CYS A 469 0.108 -2.248 8.338 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -1.475 -2.547 9.028 1.00 0.00 H new ATOM 0 HG CYS A 469 -0.793 -1.947 5.901 1.00 0.00 H new ATOM 712 N ILE A 470 -2.681 0.829 8.641 1.00 0.00 N ATOM 713 CA ILE A 470 -4.003 1.423 8.794 1.00 0.00 C ATOM 714 C ILE A 470 -5.099 0.429 8.425 1.00 0.00 C ATOM 715 O ILE A 470 -6.173 0.424 9.023 1.00 0.00 O ATOM 716 CB ILE A 470 -4.157 2.686 7.926 1.00 0.00 C ATOM 717 CG1 ILE A 470 -5.499 3.364 8.207 1.00 0.00 C ATOM 718 CG2 ILE A 470 -4.034 2.333 6.451 1.00 0.00 C ATOM 719 CD1 ILE A 470 -5.586 3.986 9.583 1.00 0.00 C ATOM 0 H ILE A 470 -2.200 1.087 7.779 1.00 0.00 H new ATOM 0 HA ILE A 470 -4.105 1.699 9.844 1.00 0.00 H new ATOM 0 HB ILE A 470 -3.359 3.383 8.180 1.00 0.00 H new ATOM 0 HG12 ILE A 470 -5.671 4.136 7.457 1.00 0.00 H new ATOM 0 HG13 ILE A 470 -6.297 2.630 8.098 1.00 0.00 H new ATOM 0 HG21 ILE A 470 -4.145 3.236 5.850 1.00 0.00 H new ATOM 0 HG22 ILE A 470 -3.056 1.890 6.263 1.00 0.00 H new ATOM 0 HG23 ILE A 470 -4.813 1.620 6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 470 -6.565 4.448 9.712 1.00 0.00 H new ATOM 0 HD12 ILE A 470 -5.446 3.215 10.340 1.00 0.00 H new ATOM 0 HD13 ILE A 470 -4.810 4.744 9.689 1.00 0.00 H new ATOM 731 N ASN A 471 -4.818 -0.412 7.435 1.00 0.00 N ATOM 732 CA ASN A 471 -5.779 -1.412 6.986 1.00 0.00 C ATOM 733 C ASN A 471 -6.266 -2.262 8.155 1.00 0.00 C ATOM 734 O ASN A 471 -7.438 -2.212 8.527 1.00 0.00 O ATOM 735 CB ASN A 471 -5.152 -2.309 5.916 1.00 0.00 C ATOM 736 CG ASN A 471 -4.887 -1.565 4.621 1.00 0.00 C ATOM 737 OD1 ASN A 471 -3.736 -1.367 4.230 1.00 0.00 O ATOM 738 ND2 ASN A 471 -5.954 -1.148 3.949 1.00 0.00 N ATOM 0 H ASN A 471 -3.933 -0.421 6.929 1.00 0.00 H new ATOM 0 HA ASN A 471 -6.635 -0.890 6.558 1.00 0.00 H new ATOM 0 HB2 ASN A 471 -4.216 -2.721 6.294 1.00 0.00 H new ATOM 0 HB3 ASN A 471 -5.814 -3.152 5.719 1.00 0.00 H new ATOM 0 HD21 ASN A 471 -5.838 -0.641 3.071 1.00 0.00 H new ATOM 0 HD22 ASN A 471 -6.889 -1.334 4.311 1.00 0.00 H new ATOM 745 N GLY A 472 -5.357 -3.043 8.732 1.00 0.00 N ATOM 746 CA GLY A 472 -5.713 -3.892 9.854 1.00 0.00 C ATOM 747 C GLY A 472 -5.136 -5.289 9.729 1.00 0.00 C ATOM 748 O GLY A 472 -4.319 -5.554 8.847 1.00 0.00 O ATOM 0 H GLY A 472 -4.381 -3.103 8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -5.357 -3.436 10.778 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -6.799 -3.956 9.928 1.00 0.00 H new ATOM 752 N ASP A 473 -5.561 -6.183 10.615 1.00 0.00 N ATOM 753 CA ASP A 473 -5.080 -7.560 10.601 1.00 0.00 C ATOM 754 C ASP A 473 -5.285 -8.193 9.228 1.00 0.00 C ATOM 755 O ASP A 473 -4.472 -9.000 8.778 1.00 0.00 O ATOM 756 CB ASP A 473 -5.800 -8.385 11.669 1.00 0.00 C ATOM 757 CG ASP A 473 -7.246 -7.966 11.847 1.00 0.00 C ATOM 758 OD1 ASP A 473 -7.995 -7.982 10.848 1.00 0.00 O ATOM 759 OD2 ASP A 473 -7.629 -7.621 12.985 1.00 0.00 O ATOM 0 H ASP A 473 -6.237 -5.979 11.351 1.00 0.00 H new ATOM 0 HA ASP A 473 -4.012 -7.548 10.820 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -5.761 -9.440 11.397 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -5.275 -8.282 12.619 1.00 0.00 H new ATOM 764 N ASP A 474 -6.377 -7.823 8.568 1.00 0.00 N ATOM 765 CA ASP A 474 -6.690 -8.354 7.247 1.00 0.00 C ATOM 766 C ASP A 474 -6.303 -7.360 6.156 1.00 0.00 C ATOM 767 O ASP A 474 -7.149 -6.912 5.381 1.00 0.00 O ATOM 768 CB ASP A 474 -8.179 -8.686 7.146 1.00 0.00 C ATOM 769 CG ASP A 474 -8.578 -9.837 8.050 1.00 0.00 C ATOM 770 OD1 ASP A 474 -7.849 -10.103 9.028 1.00 0.00 O ATOM 771 OD2 ASP A 474 -9.619 -10.471 7.778 1.00 0.00 O ATOM 0 H ASP A 474 -7.061 -7.157 8.927 1.00 0.00 H new ATOM 0 HA ASP A 474 -6.112 -9.267 7.104 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -8.764 -7.804 7.406 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -8.423 -8.937 6.114 1.00 0.00 H new ATOM 776 N CYS A 475 -5.020 -7.019 6.102 1.00 0.00 N ATOM 777 CA CYS A 475 -4.520 -6.077 5.108 1.00 0.00 C ATOM 778 C CYS A 475 -4.329 -6.762 3.757 1.00 0.00 C ATOM 779 O CYS A 475 -4.090 -7.967 3.690 1.00 0.00 O ATOM 780 CB CYS A 475 -3.197 -5.465 5.574 1.00 0.00 C ATOM 781 SG CYS A 475 -2.633 -4.057 4.566 1.00 0.00 S ATOM 0 H CYS A 475 -4.307 -7.381 6.735 1.00 0.00 H new ATOM 0 HA CYS A 475 -5.258 -5.284 4.992 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -3.305 -5.138 6.608 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -2.428 -6.237 5.563 1.00 0.00 H new ATOM 0 HG CYS A 475 -2.247 -3.092 5.346 1.00 0.00 H new ATOM 786 N MET A 476 -4.435 -5.983 2.685 1.00 0.00 N ATOM 787 CA MET A 476 -4.272 -6.514 1.337 1.00 0.00 C ATOM 788 C MET A 476 -2.825 -6.928 1.086 1.00 0.00 C ATOM 789 O MET A 476 -2.545 -7.740 0.205 1.00 0.00 O ATOM 790 CB MET A 476 -4.704 -5.475 0.301 1.00 0.00 C ATOM 791 CG MET A 476 -3.653 -4.410 0.033 1.00 0.00 C ATOM 792 SD MET A 476 -2.361 -4.977 -1.090 1.00 0.00 S ATOM 793 CE MET A 476 -3.321 -5.329 -2.560 1.00 0.00 C ATOM 0 H MET A 476 -4.633 -4.983 2.724 1.00 0.00 H new ATOM 0 HA MET A 476 -4.905 -7.396 1.242 1.00 0.00 H new ATOM 0 HB2 MET A 476 -4.941 -5.983 -0.634 1.00 0.00 H new ATOM 0 HB3 MET A 476 -5.620 -4.992 0.643 1.00 0.00 H new ATOM 0 HG2 MET A 476 -4.134 -3.528 -0.389 1.00 0.00 H new ATOM 0 HG3 MET A 476 -3.201 -4.106 0.977 1.00 0.00 H new ATOM 0 HE1 MET A 476 -2.689 -5.221 -3.442 1.00 0.00 H new ATOM 0 HE2 MET A 476 -3.703 -6.349 -2.510 1.00 0.00 H new ATOM 0 HE3 MET A 476 -4.156 -4.632 -2.625 1.00 0.00 H new ATOM 803 N PHE A 477 -1.910 -6.363 1.867 1.00 0.00 N ATOM 804 CA PHE A 477 -0.491 -6.672 1.728 1.00 0.00 C ATOM 805 C PHE A 477 -0.018 -7.575 2.864 1.00 0.00 C ATOM 806 O PHE A 477 -0.650 -7.647 3.918 1.00 0.00 O ATOM 807 CB PHE A 477 0.334 -5.384 1.708 1.00 0.00 C ATOM 808 CG PHE A 477 0.245 -4.636 0.408 1.00 0.00 C ATOM 809 CD1 PHE A 477 0.566 -5.258 -0.788 1.00 0.00 C ATOM 810 CD2 PHE A 477 -0.158 -3.310 0.383 1.00 0.00 C ATOM 811 CE1 PHE A 477 0.485 -4.572 -1.985 1.00 0.00 C ATOM 812 CE2 PHE A 477 -0.241 -2.620 -0.812 1.00 0.00 C ATOM 813 CZ PHE A 477 0.082 -3.252 -1.997 1.00 0.00 C ATOM 0 H PHE A 477 -2.125 -5.689 2.602 1.00 0.00 H new ATOM 0 HA PHE A 477 -0.350 -7.200 0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -0.002 -4.734 2.516 1.00 0.00 H new ATOM 0 HB3 PHE A 477 1.378 -5.627 1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 477 0.883 -6.290 -0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -0.410 -2.811 1.307 1.00 0.00 H new ATOM 0 HE1 PHE A 477 0.737 -5.068 -2.910 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -0.558 -1.588 -0.819 1.00 0.00 H new ATOM 0 HZ PHE A 477 0.019 -2.714 -2.931 1.00 0.00 H new ATOM 823 N SER A 478 1.098 -8.261 2.640 1.00 0.00 N ATOM 824 CA SER A 478 1.654 -9.163 3.642 1.00 0.00 C ATOM 825 C SER A 478 2.413 -8.384 4.712 1.00 0.00 C ATOM 826 O SER A 478 3.115 -7.417 4.413 1.00 0.00 O ATOM 827 CB SER A 478 2.585 -10.182 2.981 1.00 0.00 C ATOM 828 OG SER A 478 1.847 -11.160 2.270 1.00 0.00 O ATOM 0 H SER A 478 1.635 -8.210 1.774 1.00 0.00 H new ATOM 0 HA SER A 478 0.828 -9.691 4.118 1.00 0.00 H new ATOM 0 HB2 SER A 478 3.266 -9.670 2.301 1.00 0.00 H new ATOM 0 HB3 SER A 478 3.198 -10.666 3.741 1.00 0.00 H new ATOM 0 HG SER A 478 1.483 -10.764 1.451 1.00 0.00 H new ATOM 834 N HIS A 479 2.266 -8.812 5.962 1.00 0.00 N ATOM 835 CA HIS A 479 2.937 -8.155 7.079 1.00 0.00 C ATOM 836 C HIS A 479 4.129 -8.980 7.557 1.00 0.00 C ATOM 837 O HIS A 479 4.551 -8.869 8.708 1.00 0.00 O ATOM 838 CB HIS A 479 1.958 -7.937 8.233 1.00 0.00 C ATOM 839 CG HIS A 479 1.044 -6.768 8.029 1.00 0.00 C ATOM 840 ND1 HIS A 479 0.139 -6.345 8.980 1.00 0.00 N ATOM 841 CD2 HIS A 479 0.899 -5.931 6.975 1.00 0.00 C ATOM 842 CE1 HIS A 479 -0.524 -5.300 8.519 1.00 0.00 C ATOM 843 NE2 HIS A 479 -0.082 -5.028 7.305 1.00 0.00 N ATOM 0 H HIS A 479 1.689 -9.610 6.227 1.00 0.00 H new ATOM 0 HA HIS A 479 3.301 -7.187 6.734 1.00 0.00 H new ATOM 0 HB2 HIS A 479 1.359 -8.838 8.365 1.00 0.00 H new ATOM 0 HB3 HIS A 479 2.522 -7.791 9.154 1.00 0.00 H new ATOM 0 HD2 HIS A 479 1.452 -5.967 6.048 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -1.297 -4.760 9.046 1.00 0.00 H new ATOM 0 HE2 HIS A 479 -0.415 -4.270 6.709 1.00 0.00 H new ATOM 851 N ASP A 480 4.667 -9.805 6.665 1.00 0.00 N ATOM 852 CA ASP A 480 5.810 -10.648 6.996 1.00 0.00 C ATOM 853 C ASP A 480 7.016 -9.799 7.387 1.00 0.00 C ATOM 854 O ASP A 480 7.148 -8.642 6.986 1.00 0.00 O ATOM 855 CB ASP A 480 6.167 -11.547 5.812 1.00 0.00 C ATOM 856 CG ASP A 480 7.088 -10.862 4.821 1.00 0.00 C ATOM 857 OD1 ASP A 480 8.250 -10.585 5.186 1.00 0.00 O ATOM 858 OD2 ASP A 480 6.648 -10.605 3.682 1.00 0.00 O ATOM 0 H ASP A 480 4.330 -9.908 5.708 1.00 0.00 H new ATOM 0 HA ASP A 480 5.536 -11.272 7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 480 6.645 -12.455 6.180 1.00 0.00 H new ATOM 0 HB3 ASP A 480 5.253 -11.852 5.303 1.00 0.00 H new ATOM 863 N PRO A 481 7.917 -10.384 8.190 1.00 0.00 N ATOM 864 CA PRO A 481 9.127 -9.700 8.654 1.00 0.00 C ATOM 865 C PRO A 481 10.132 -9.472 7.529 1.00 0.00 C ATOM 866 O PRO A 481 10.605 -10.423 6.904 1.00 0.00 O ATOM 867 CB PRO A 481 9.701 -10.661 9.697 1.00 0.00 C ATOM 868 CG PRO A 481 9.183 -12.001 9.303 1.00 0.00 C ATOM 869 CD PRO A 481 7.824 -11.760 8.706 1.00 0.00 C ATOM 0 HA PRO A 481 8.908 -8.706 9.045 1.00 0.00 H new ATOM 0 HB2 PRO A 481 10.791 -10.642 9.696 1.00 0.00 H new ATOM 0 HB3 PRO A 481 9.379 -10.392 10.703 1.00 0.00 H new ATOM 0 HG2 PRO A 481 9.846 -12.480 8.583 1.00 0.00 H new ATOM 0 HG3 PRO A 481 9.118 -12.664 10.166 1.00 0.00 H new ATOM 0 HD2 PRO A 481 7.602 -12.473 7.912 1.00 0.00 H new ATOM 0 HD3 PRO A 481 7.035 -11.857 9.451 1.00 0.00 H new ATOM 877 N LEU A 482 10.454 -8.209 7.276 1.00 0.00 N ATOM 878 CA LEU A 482 11.403 -7.857 6.226 1.00 0.00 C ATOM 879 C LEU A 482 12.573 -8.835 6.199 1.00 0.00 C ATOM 880 O LEU A 482 13.031 -9.302 7.243 1.00 0.00 O ATOM 881 CB LEU A 482 11.920 -6.432 6.436 1.00 0.00 C ATOM 882 CG LEU A 482 10.963 -5.306 6.042 1.00 0.00 C ATOM 883 CD1 LEU A 482 11.568 -3.951 6.374 1.00 0.00 C ATOM 884 CD2 LEU A 482 10.621 -5.391 4.561 1.00 0.00 C ATOM 0 H LEU A 482 10.072 -7.411 7.784 1.00 0.00 H new ATOM 0 HA LEU A 482 10.885 -7.912 5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 482 12.177 -6.312 7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 482 12.842 -6.314 5.867 1.00 0.00 H new ATOM 0 HG LEU A 482 10.042 -5.420 6.614 1.00 0.00 H new ATOM 0 HD11 LEU A 482 10.873 -3.162 6.087 1.00 0.00 H new ATOM 0 HD12 LEU A 482 11.762 -3.892 7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 482 12.504 -3.827 5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 482 9.939 -4.582 4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 482 11.533 -5.303 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 482 10.145 -6.349 4.352 1.00 0.00 H new ATOM 896 N THR A 483 13.054 -9.142 4.998 1.00 0.00 N ATOM 897 CA THR A 483 14.171 -10.064 4.835 1.00 0.00 C ATOM 898 C THR A 483 15.282 -9.438 4.000 1.00 0.00 C ATOM 899 O THR A 483 15.031 -8.562 3.173 1.00 0.00 O ATOM 900 CB THR A 483 13.721 -11.378 4.169 1.00 0.00 C ATOM 901 OG1 THR A 483 13.073 -11.100 2.924 1.00 0.00 O ATOM 902 CG2 THR A 483 12.776 -12.149 5.078 1.00 0.00 C ATOM 0 H THR A 483 12.687 -8.765 4.124 1.00 0.00 H new ATOM 0 HA THR A 483 14.550 -10.283 5.833 1.00 0.00 H new ATOM 0 HB THR A 483 14.605 -11.989 3.988 1.00 0.00 H new ATOM 0 HG1 THR A 483 12.706 -10.191 2.942 1.00 0.00 H new ATOM 0 HG21 THR A 483 12.472 -13.073 4.587 1.00 0.00 H new ATOM 0 HG22 THR A 483 13.283 -12.385 6.013 1.00 0.00 H new ATOM 0 HG23 THR A 483 11.895 -11.542 5.286 1.00 0.00 H new ATOM 910 N GLU A 484 16.511 -9.895 4.221 1.00 0.00 N ATOM 911 CA GLU A 484 17.661 -9.379 3.487 1.00 0.00 C ATOM 912 C GLU A 484 17.313 -9.156 2.018 1.00 0.00 C ATOM 913 O GLU A 484 17.861 -8.266 1.369 1.00 0.00 O ATOM 914 CB GLU A 484 18.842 -10.344 3.603 1.00 0.00 C ATOM 915 CG GLU A 484 18.686 -11.600 2.762 1.00 0.00 C ATOM 916 CD GLU A 484 20.017 -12.234 2.407 1.00 0.00 C ATOM 917 OE1 GLU A 484 20.786 -12.558 3.337 1.00 0.00 O ATOM 918 OE2 GLU A 484 20.291 -12.406 1.201 1.00 0.00 O ATOM 0 H GLU A 484 16.736 -10.621 4.902 1.00 0.00 H new ATOM 0 HA GLU A 484 17.940 -8.421 3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 484 19.754 -9.827 3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 484 18.966 -10.629 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 484 18.077 -12.323 3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 484 18.149 -11.355 1.846 1.00 0.00 H new ATOM 925 N GLU A 485 16.400 -9.972 1.502 1.00 0.00 N ATOM 926 CA GLU A 485 15.980 -9.864 0.110 1.00 0.00 C ATOM 927 C GLU A 485 14.960 -8.743 -0.067 1.00 0.00 C ATOM 928 O GLU A 485 15.273 -7.681 -0.606 1.00 0.00 O ATOM 929 CB GLU A 485 15.386 -11.190 -0.371 1.00 0.00 C ATOM 930 CG GLU A 485 14.738 -11.105 -1.743 1.00 0.00 C ATOM 931 CD GLU A 485 15.755 -11.025 -2.865 1.00 0.00 C ATOM 932 OE1 GLU A 485 16.611 -11.930 -2.955 1.00 0.00 O ATOM 933 OE2 GLU A 485 15.694 -10.057 -3.652 1.00 0.00 O ATOM 0 H GLU A 485 15.937 -10.715 2.026 1.00 0.00 H new ATOM 0 HA GLU A 485 16.859 -9.629 -0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 485 16.174 -11.943 -0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 485 14.644 -11.529 0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 485 14.103 -11.978 -1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 485 14.091 -10.229 -1.781 1.00 0.00 H new ATOM 940 N THR A 486 13.736 -8.987 0.393 1.00 0.00 N ATOM 941 CA THR A 486 12.669 -8.001 0.285 1.00 0.00 C ATOM 942 C THR A 486 13.160 -6.614 0.684 1.00 0.00 C ATOM 943 O THR A 486 12.926 -5.634 -0.024 1.00 0.00 O ATOM 944 CB THR A 486 11.463 -8.379 1.166 1.00 0.00 C ATOM 945 OG1 THR A 486 11.835 -8.342 2.548 1.00 0.00 O ATOM 946 CG2 THR A 486 10.948 -9.766 0.811 1.00 0.00 C ATOM 0 H THR A 486 13.460 -9.859 0.844 1.00 0.00 H new ATOM 0 HA THR A 486 12.356 -7.987 -0.759 1.00 0.00 H new ATOM 0 HB THR A 486 10.668 -7.656 0.985 1.00 0.00 H new ATOM 0 HG1 THR A 486 11.208 -8.884 3.070 1.00 0.00 H new ATOM 0 HG21 THR A 486 10.097 -10.011 1.446 1.00 0.00 H new ATOM 0 HG22 THR A 486 10.638 -9.783 -0.234 1.00 0.00 H new ATOM 0 HG23 THR A 486 11.740 -10.499 0.967 1.00 0.00 H new ATOM 954 N ARG A 487 13.842 -6.537 1.822 1.00 0.00 N ATOM 955 CA ARG A 487 14.365 -5.269 2.316 1.00 0.00 C ATOM 956 C ARG A 487 14.916 -4.426 1.170 1.00 0.00 C ATOM 957 O ARG A 487 14.697 -3.216 1.117 1.00 0.00 O ATOM 958 CB ARG A 487 15.461 -5.515 3.355 1.00 0.00 C ATOM 959 CG ARG A 487 15.554 -4.427 4.412 1.00 0.00 C ATOM 960 CD ARG A 487 16.334 -3.224 3.906 1.00 0.00 C ATOM 961 NE ARG A 487 16.734 -2.335 4.993 1.00 0.00 N ATOM 962 CZ ARG A 487 15.947 -1.393 5.501 1.00 0.00 C ATOM 963 NH1 ARG A 487 14.723 -1.220 5.023 1.00 0.00 N ATOM 964 NH2 ARG A 487 16.383 -0.624 6.490 1.00 0.00 N ATOM 0 H ARG A 487 14.045 -7.338 2.420 1.00 0.00 H new ATOM 0 HA ARG A 487 13.546 -4.724 2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 487 15.277 -6.471 3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 487 16.421 -5.598 2.845 1.00 0.00 H new ATOM 0 HG2 ARG A 487 14.551 -4.115 4.704 1.00 0.00 H new ATOM 0 HG3 ARG A 487 16.036 -4.826 5.305 1.00 0.00 H new ATOM 0 HD2 ARG A 487 17.221 -3.565 3.372 1.00 0.00 H new ATOM 0 HD3 ARG A 487 15.724 -2.671 3.191 1.00 0.00 H new ATOM 0 HE ARG A 487 17.670 -2.443 5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 487 14.384 -1.811 4.264 1.00 0.00 H new ATOM 0 HH12 ARG A 487 14.120 -0.496 5.414 1.00 0.00 H new ATOM 0 HH21 ARG A 487 17.324 -0.755 6.862 1.00 0.00 H new ATOM 0 HH22 ARG A 487 15.777 0.099 6.879 1.00 0.00 H new ATOM 978 N GLU A 488 15.632 -5.073 0.256 1.00 0.00 N ATOM 979 CA GLU A 488 16.215 -4.381 -0.888 1.00 0.00 C ATOM 980 C GLU A 488 15.128 -3.749 -1.753 1.00 0.00 C ATOM 981 O GLU A 488 15.256 -2.606 -2.193 1.00 0.00 O ATOM 982 CB GLU A 488 17.050 -5.351 -1.727 1.00 0.00 C ATOM 983 CG GLU A 488 18.239 -5.933 -0.981 1.00 0.00 C ATOM 984 CD GLU A 488 19.386 -4.948 -0.853 1.00 0.00 C ATOM 985 OE1 GLU A 488 19.338 -4.098 0.060 1.00 0.00 O ATOM 986 OE2 GLU A 488 20.330 -5.030 -1.665 1.00 0.00 O ATOM 0 H GLU A 488 15.822 -6.075 0.285 1.00 0.00 H new ATOM 0 HA GLU A 488 16.861 -3.589 -0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 488 16.411 -6.166 -2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 488 17.408 -4.833 -2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 488 17.921 -6.246 0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 488 18.588 -6.826 -1.500 1.00 0.00 H new ATOM 993 N LEU A 489 14.059 -4.501 -1.993 1.00 0.00 N ATOM 994 CA LEU A 489 12.949 -4.015 -2.805 1.00 0.00 C ATOM 995 C LEU A 489 12.570 -2.591 -2.413 1.00 0.00 C ATOM 996 O LEU A 489 12.703 -1.660 -3.209 1.00 0.00 O ATOM 997 CB LEU A 489 11.739 -4.938 -2.654 1.00 0.00 C ATOM 998 CG LEU A 489 11.890 -6.344 -3.235 1.00 0.00 C ATOM 999 CD1 LEU A 489 10.546 -7.054 -3.271 1.00 0.00 C ATOM 1000 CD2 LEU A 489 12.500 -6.283 -4.628 1.00 0.00 C ATOM 0 H LEU A 489 13.938 -5.449 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 489 13.267 -4.012 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 489 11.506 -5.028 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 489 10.882 -4.461 -3.129 1.00 0.00 H new ATOM 0 HG LEU A 489 12.561 -6.912 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 489 10.673 -8.053 -3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 489 10.148 -7.131 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 489 9.852 -6.488 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 489 12.600 -7.293 -5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 489 11.854 -5.697 -5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 489 13.483 -5.815 -4.575 1.00 0.00 H new ATOM 1012 N LEU A 490 12.098 -2.428 -1.182 1.00 0.00 N ATOM 1013 CA LEU A 490 11.701 -1.116 -0.683 1.00 0.00 C ATOM 1014 C LEU A 490 12.674 -0.038 -1.149 1.00 0.00 C ATOM 1015 O LEU A 490 12.278 0.931 -1.797 1.00 0.00 O ATOM 1016 CB LEU A 490 11.631 -1.130 0.845 1.00 0.00 C ATOM 1017 CG LEU A 490 10.649 -2.125 1.464 1.00 0.00 C ATOM 1018 CD1 LEU A 490 10.829 -2.185 2.973 1.00 0.00 C ATOM 1019 CD2 LEU A 490 9.217 -1.751 1.110 1.00 0.00 C ATOM 0 H LEU A 490 11.981 -3.188 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 490 10.714 -0.886 -1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 490 12.627 -1.345 1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 490 11.366 -0.129 1.186 1.00 0.00 H new ATOM 0 HG LEU A 490 10.857 -3.114 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 490 10.122 -2.898 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 490 11.846 -2.501 3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 490 10.649 -1.199 3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 490 8.532 -2.470 1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 490 8.997 -0.754 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 490 9.095 -1.761 0.027 1.00 0.00 H new ATOM 1031 N ASP A 491 13.948 -0.215 -0.817 1.00 0.00 N ATOM 1032 CA ASP A 491 14.979 0.741 -1.205 1.00 0.00 C ATOM 1033 C ASP A 491 14.752 1.237 -2.630 1.00 0.00 C ATOM 1034 O ASP A 491 14.871 2.430 -2.909 1.00 0.00 O ATOM 1035 CB ASP A 491 16.365 0.104 -1.089 1.00 0.00 C ATOM 1036 CG ASP A 491 16.689 -0.321 0.330 1.00 0.00 C ATOM 1037 OD1 ASP A 491 15.823 -0.948 0.974 1.00 0.00 O ATOM 1038 OD2 ASP A 491 17.810 -0.027 0.796 1.00 0.00 O ATOM 0 H ASP A 491 14.292 -1.011 -0.280 1.00 0.00 H new ATOM 0 HA ASP A 491 14.921 1.594 -0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 491 16.419 -0.764 -1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 491 17.118 0.813 -1.434 1.00 0.00 H new ATOM 1043 N LYS A 492 14.425 0.314 -3.527 1.00 0.00 N ATOM 1044 CA LYS A 492 14.181 0.656 -4.923 1.00 0.00 C ATOM 1045 C LYS A 492 12.786 1.247 -5.103 1.00 0.00 C ATOM 1046 O LYS A 492 12.627 2.322 -5.680 1.00 0.00 O ATOM 1047 CB LYS A 492 14.339 -0.582 -5.809 1.00 0.00 C ATOM 1048 CG LYS A 492 14.408 -0.264 -7.292 1.00 0.00 C ATOM 1049 CD LYS A 492 15.728 0.394 -7.661 1.00 0.00 C ATOM 1050 CE LYS A 492 16.834 -0.635 -7.833 1.00 0.00 C ATOM 1051 NZ LYS A 492 16.810 -1.256 -9.186 1.00 0.00 N ATOM 0 H LYS A 492 14.323 -0.678 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 492 14.915 1.404 -5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 492 15.245 -1.114 -5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 492 13.502 -1.256 -5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 492 14.284 -1.181 -7.868 1.00 0.00 H new ATOM 0 HG3 LYS A 492 13.584 0.396 -7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 492 15.608 0.959 -8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 492 16.010 1.107 -6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 492 17.801 -0.159 -7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 492 16.728 -1.411 -7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 17.579 -1.951 -9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 15.897 -1.732 -9.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 16.937 -0.519 -9.909 1.00 0.00 H new ATOM 1065 N MET A 493 11.779 0.539 -4.602 1.00 0.00 N ATOM 1066 CA MET A 493 10.398 0.995 -4.705 1.00 0.00 C ATOM 1067 C MET A 493 10.251 2.410 -4.153 1.00 0.00 C ATOM 1068 O MET A 493 9.905 3.340 -4.883 1.00 0.00 O ATOM 1069 CB MET A 493 9.466 0.042 -3.955 1.00 0.00 C ATOM 1070 CG MET A 493 8.003 0.193 -4.342 1.00 0.00 C ATOM 1071 SD MET A 493 7.215 1.602 -3.540 1.00 0.00 S ATOM 1072 CE MET A 493 6.744 0.878 -1.970 1.00 0.00 C ATOM 0 H MET A 493 11.894 -0.353 -4.121 1.00 0.00 H new ATOM 0 HA MET A 493 10.122 1.005 -5.759 1.00 0.00 H new ATOM 0 HB2 MET A 493 9.780 -0.984 -4.145 1.00 0.00 H new ATOM 0 HB3 MET A 493 9.570 0.214 -2.884 1.00 0.00 H new ATOM 0 HG2 MET A 493 7.927 0.306 -5.423 1.00 0.00 H new ATOM 0 HG3 MET A 493 7.465 -0.718 -4.078 1.00 0.00 H new ATOM 0 HE1 MET A 493 5.664 0.955 -1.843 1.00 0.00 H new ATOM 0 HE2 MET A 493 7.038 -0.171 -1.950 1.00 0.00 H new ATOM 0 HE3 MET A 493 7.243 1.410 -1.160 1.00 0.00 H new ATOM 1082 N LEU A 494 10.514 2.565 -2.860 1.00 0.00 N ATOM 1083 CA LEU A 494 10.411 3.867 -2.209 1.00 0.00 C ATOM 1084 C LEU A 494 11.045 4.957 -3.067 1.00 0.00 C ATOM 1085 O LEU A 494 10.464 6.023 -3.263 1.00 0.00 O ATOM 1086 CB LEU A 494 11.083 3.827 -0.836 1.00 0.00 C ATOM 1087 CG LEU A 494 10.538 2.792 0.149 1.00 0.00 C ATOM 1088 CD1 LEU A 494 11.547 2.523 1.254 1.00 0.00 C ATOM 1089 CD2 LEU A 494 9.213 3.259 0.735 1.00 0.00 C ATOM 0 H LEU A 494 10.800 1.806 -2.242 1.00 0.00 H new ATOM 0 HA LEU A 494 9.354 4.100 -2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 494 12.147 3.637 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 494 10.994 4.814 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 494 10.365 1.861 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 494 11.141 1.784 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 494 12.471 2.143 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 494 11.753 3.448 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 494 8.840 2.510 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 494 9.360 4.203 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 494 8.489 3.399 -0.068 1.00 0.00 H new