USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=22 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= 0.44 USER MOD Set 1.2: A 486 THR OG1 : rot -73:sc= 1.08 USER MOD Set 2.1: A 460 CYS SG : rot 125:sc= 0.87 USER MOD Set 2.2: A 469 CYS SG : rot 117:sc= 0.92 USER MOD Set 2.3: A 471 ASN : amide:sc= -2.36 K(o=-0.71,f=-5.2!) USER MOD Set 2.4: A 475 CYS SG : rot 134:sc= 0.0695 USER MOD Set 2.5: A 479 HIS : no HD1:sc= -0.217 X(o=-0.71,f=-0.51) USER MOD Set 3.1: A 437 CYS SG : rot 124:sc= 0.608 USER MOD Set 3.2: A 445 CYS SG : rot -83:sc= 1.3 USER MOD Set 3.3: A 451 CYS SG : rot -166:sc= 0.847 USER MOD Set 3.4: A 455 HIS : no HE2:sc= 0.27 K(o=3,f=-3.5) USER MOD Single : A 433 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0354) USER MOD Single : A 438 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 440 TYR OH : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot -42:sc= 0.635 USER MOD Single : A 450 ASN : amide:sc= -0.0864 K(o=-0.086,f=-1.7!) USER MOD Single : A 453 TYR OH : rot 180:sc= 0 USER MOD Single : A 454 MET CE :methyl -174:sc= 0 (180deg=-0.0826) USER MOD Single : A 461 LYS NZ :NH3+ -108:sc= -0.787 (180deg=-1.08) USER MOD Single : A 463 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 HIS : no HE2:sc= -3.47! C(o=-3.5!,f=-3.9!) USER MOD Single : A 465 THR OG1 : rot -36:sc= 0.209 USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 468 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 476 MET CE :methyl 148:sc= -0.356 (180deg=-3.39!) USER MOD Single : A 478 SER OG : rot 93:sc= 0.122 USER MOD Single : A 492 LYS NZ :NH3+ -160:sc= -0.0136 (180deg=-0.183) USER MOD Single : A 493 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N LYS A 433 9.488 -11.649 -12.059 1.00 0.00 N ATOM 137 CA LYS A 433 9.824 -10.334 -11.526 1.00 0.00 C ATOM 138 C LYS A 433 9.541 -10.265 -10.028 1.00 0.00 C ATOM 139 O LYS A 433 8.640 -10.937 -9.526 1.00 0.00 O ATOM 140 CB LYS A 433 9.032 -9.247 -12.256 1.00 0.00 C ATOM 141 CG LYS A 433 9.746 -8.687 -13.473 1.00 0.00 C ATOM 142 CD LYS A 433 8.762 -8.244 -14.543 1.00 0.00 C ATOM 143 CE LYS A 433 9.467 -7.538 -15.691 1.00 0.00 C ATOM 144 NZ LYS A 433 10.385 -8.453 -16.425 1.00 0.00 N ATOM 0 HA LYS A 433 10.889 -10.167 -11.685 1.00 0.00 H new ATOM 0 HB2 LYS A 433 8.070 -9.656 -12.566 1.00 0.00 H new ATOM 0 HB3 LYS A 433 8.823 -8.433 -11.562 1.00 0.00 H new ATOM 0 HG2 LYS A 433 10.366 -7.841 -13.175 1.00 0.00 H new ATOM 0 HG3 LYS A 433 10.415 -9.443 -13.883 1.00 0.00 H new ATOM 0 HD2 LYS A 433 8.223 -9.111 -14.924 1.00 0.00 H new ATOM 0 HD3 LYS A 433 8.021 -7.576 -14.103 1.00 0.00 H new ATOM 0 HE2 LYS A 433 8.725 -7.137 -16.382 1.00 0.00 H new ATOM 0 HE3 LYS A 433 10.032 -6.690 -15.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 10.781 -7.959 -17.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 11.157 -8.749 -15.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 9.858 -9.291 -16.744 1.00 0.00 H new ATOM 158 N ARG A 434 10.316 -9.449 -9.321 1.00 0.00 N ATOM 159 CA ARG A 434 10.148 -9.293 -7.882 1.00 0.00 C ATOM 160 C ARG A 434 9.800 -7.849 -7.528 1.00 0.00 C ATOM 161 O ARG A 434 10.355 -7.280 -6.589 1.00 0.00 O ATOM 162 CB ARG A 434 11.422 -9.716 -7.149 1.00 0.00 C ATOM 163 CG ARG A 434 11.478 -11.202 -6.833 1.00 0.00 C ATOM 164 CD ARG A 434 12.106 -11.990 -7.972 1.00 0.00 C ATOM 165 NE ARG A 434 12.746 -13.215 -7.502 1.00 0.00 N ATOM 166 CZ ARG A 434 12.086 -14.341 -7.253 1.00 0.00 C ATOM 167 NH1 ARG A 434 10.773 -14.396 -7.429 1.00 0.00 N ATOM 168 NH2 ARG A 434 12.739 -15.415 -6.828 1.00 0.00 N ATOM 0 H ARG A 434 11.066 -8.886 -9.722 1.00 0.00 H new ATOM 0 HA ARG A 434 9.325 -9.935 -7.566 1.00 0.00 H new ATOM 0 HB2 ARG A 434 12.286 -9.450 -7.757 1.00 0.00 H new ATOM 0 HB3 ARG A 434 11.500 -9.152 -6.219 1.00 0.00 H new ATOM 0 HG2 ARG A 434 12.052 -11.360 -5.920 1.00 0.00 H new ATOM 0 HG3 ARG A 434 10.471 -11.573 -6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 434 11.340 -12.240 -8.706 1.00 0.00 H new ATOM 0 HD3 ARG A 434 12.843 -11.368 -8.480 1.00 0.00 H new ATOM 0 HE ARG A 434 13.756 -13.206 -7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 434 10.267 -13.573 -7.756 1.00 0.00 H new ATOM 0 HH12 ARG A 434 10.269 -15.262 -7.237 1.00 0.00 H new ATOM 0 HH21 ARG A 434 13.749 -15.377 -6.692 1.00 0.00 H new ATOM 0 HH22 ARG A 434 12.231 -16.279 -6.637 1.00 0.00 H new ATOM 182 N GLU A 435 8.880 -7.264 -8.288 1.00 0.00 N ATOM 183 CA GLU A 435 8.460 -5.887 -8.055 1.00 0.00 C ATOM 184 C GLU A 435 6.966 -5.817 -7.757 1.00 0.00 C ATOM 185 O GLU A 435 6.197 -6.687 -8.169 1.00 0.00 O ATOM 186 CB GLU A 435 8.791 -5.018 -9.270 1.00 0.00 C ATOM 187 CG GLU A 435 10.280 -4.899 -9.547 1.00 0.00 C ATOM 188 CD GLU A 435 10.574 -4.297 -10.907 1.00 0.00 C ATOM 189 OE1 GLU A 435 10.297 -4.966 -11.924 1.00 0.00 O ATOM 190 OE2 GLU A 435 11.082 -3.157 -10.955 1.00 0.00 O ATOM 0 H GLU A 435 8.411 -7.722 -9.070 1.00 0.00 H new ATOM 0 HA GLU A 435 9.003 -5.510 -7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 435 8.299 -5.435 -10.149 1.00 0.00 H new ATOM 0 HB3 GLU A 435 8.378 -4.021 -9.116 1.00 0.00 H new ATOM 0 HG2 GLU A 435 10.741 -4.284 -8.774 1.00 0.00 H new ATOM 0 HG3 GLU A 435 10.737 -5.886 -9.484 1.00 0.00 H new ATOM 197 N LEU A 436 6.560 -4.776 -7.037 1.00 0.00 N ATOM 198 CA LEU A 436 5.158 -4.591 -6.682 1.00 0.00 C ATOM 199 C LEU A 436 4.332 -4.209 -7.906 1.00 0.00 C ATOM 200 O LEU A 436 4.680 -3.282 -8.639 1.00 0.00 O ATOM 201 CB LEU A 436 5.022 -3.514 -5.605 1.00 0.00 C ATOM 202 CG LEU A 436 3.594 -3.121 -5.225 1.00 0.00 C ATOM 203 CD1 LEU A 436 2.919 -4.243 -4.450 1.00 0.00 C ATOM 204 CD2 LEU A 436 3.593 -1.834 -4.413 1.00 0.00 C ATOM 0 H LEU A 436 7.183 -4.047 -6.688 1.00 0.00 H new ATOM 0 HA LEU A 436 4.780 -5.536 -6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 436 5.533 -3.860 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 436 5.545 -2.620 -5.945 1.00 0.00 H new ATOM 0 HG LEU A 436 3.029 -2.949 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 436 1.904 -3.945 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 436 2.886 -5.142 -5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 436 3.483 -4.447 -3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 436 2.568 -1.570 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 436 4.174 -1.978 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.036 -1.031 -5.003 1.00 0.00 H new ATOM 216 N CYS A 437 3.235 -4.928 -8.122 1.00 0.00 N ATOM 217 CA CYS A 437 2.358 -4.663 -9.256 1.00 0.00 C ATOM 218 C CYS A 437 1.689 -3.299 -9.120 1.00 0.00 C ATOM 219 O CYS A 437 1.145 -2.963 -8.068 1.00 0.00 O ATOM 220 CB CYS A 437 1.293 -5.756 -9.369 1.00 0.00 C ATOM 221 SG CYS A 437 0.498 -5.852 -11.005 1.00 0.00 S ATOM 0 H CYS A 437 2.933 -5.699 -7.526 1.00 0.00 H new ATOM 0 HA CYS A 437 2.966 -4.661 -10.161 1.00 0.00 H new ATOM 0 HB2 CYS A 437 1.750 -6.719 -9.142 1.00 0.00 H new ATOM 0 HB3 CYS A 437 0.527 -5.581 -8.614 1.00 0.00 H new ATOM 0 HG CYS A 437 0.637 -7.052 -11.485 1.00 0.00 H new ATOM 226 N LYS A 438 1.734 -2.515 -10.192 1.00 0.00 N ATOM 227 CA LYS A 438 1.131 -1.187 -10.195 1.00 0.00 C ATOM 228 C LYS A 438 -0.389 -1.279 -10.277 1.00 0.00 C ATOM 229 O LYS A 438 -1.080 -0.262 -10.337 1.00 0.00 O ATOM 230 CB LYS A 438 1.667 -0.364 -11.369 1.00 0.00 C ATOM 231 CG LYS A 438 3.137 -0.004 -11.238 1.00 0.00 C ATOM 232 CD LYS A 438 4.022 -0.996 -11.974 1.00 0.00 C ATOM 233 CE LYS A 438 5.391 -1.112 -11.322 1.00 0.00 C ATOM 234 NZ LYS A 438 6.232 0.089 -11.580 1.00 0.00 N ATOM 0 H LYS A 438 2.182 -2.776 -11.070 1.00 0.00 H new ATOM 0 HA LYS A 438 1.397 -0.693 -9.261 1.00 0.00 H new ATOM 0 HB2 LYS A 438 1.520 -0.925 -12.292 1.00 0.00 H new ATOM 0 HB3 LYS A 438 1.083 0.552 -11.456 1.00 0.00 H new ATOM 0 HG2 LYS A 438 3.304 0.998 -11.634 1.00 0.00 H new ATOM 0 HG3 LYS A 438 3.414 0.020 -10.184 1.00 0.00 H new ATOM 0 HD2 LYS A 438 3.541 -1.974 -11.988 1.00 0.00 H new ATOM 0 HD3 LYS A 438 4.137 -0.682 -13.011 1.00 0.00 H new ATOM 0 HE2 LYS A 438 5.271 -1.247 -10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 438 5.899 -1.999 -11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 7.157 -0.029 -11.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 6.368 0.204 -12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 5.759 0.933 -11.197 1.00 0.00 H new ATOM 248 N PHE A 439 -0.904 -2.504 -10.278 1.00 0.00 N ATOM 249 CA PHE A 439 -2.343 -2.729 -10.352 1.00 0.00 C ATOM 250 C PHE A 439 -2.858 -3.378 -9.071 1.00 0.00 C ATOM 251 O PHE A 439 -3.861 -2.945 -8.502 1.00 0.00 O ATOM 252 CB PHE A 439 -2.681 -3.610 -11.556 1.00 0.00 C ATOM 253 CG PHE A 439 -2.715 -2.860 -12.857 1.00 0.00 C ATOM 254 CD1 PHE A 439 -3.505 -1.731 -13.000 1.00 0.00 C ATOM 255 CD2 PHE A 439 -1.958 -3.285 -13.936 1.00 0.00 C ATOM 256 CE1 PHE A 439 -3.539 -1.039 -14.196 1.00 0.00 C ATOM 257 CE2 PHE A 439 -1.987 -2.597 -15.134 1.00 0.00 C ATOM 258 CZ PHE A 439 -2.779 -1.473 -15.265 1.00 0.00 C ATOM 0 H PHE A 439 -0.346 -3.356 -10.228 1.00 0.00 H new ATOM 0 HA PHE A 439 -2.832 -1.762 -10.470 1.00 0.00 H new ATOM 0 HB2 PHE A 439 -1.946 -4.412 -11.627 1.00 0.00 H new ATOM 0 HB3 PHE A 439 -3.651 -4.080 -11.391 1.00 0.00 H new ATOM 0 HD1 PHE A 439 -4.101 -1.388 -12.167 1.00 0.00 H new ATOM 0 HD2 PHE A 439 -1.338 -4.164 -13.840 1.00 0.00 H new ATOM 0 HE1 PHE A 439 -4.159 -0.160 -14.295 1.00 0.00 H new ATOM 0 HE2 PHE A 439 -1.391 -2.938 -15.967 1.00 0.00 H new ATOM 0 HZ PHE A 439 -2.804 -0.935 -16.201 1.00 0.00 H new ATOM 268 N TYR A 440 -2.166 -4.420 -8.623 1.00 0.00 N ATOM 269 CA TYR A 440 -2.555 -5.132 -7.411 1.00 0.00 C ATOM 270 C TYR A 440 -2.830 -4.156 -6.271 1.00 0.00 C ATOM 271 O TYR A 440 -3.716 -4.382 -5.446 1.00 0.00 O ATOM 272 CB TYR A 440 -1.460 -6.118 -7.000 1.00 0.00 C ATOM 273 CG TYR A 440 -1.883 -7.071 -5.905 1.00 0.00 C ATOM 274 CD1 TYR A 440 -2.963 -7.927 -6.082 1.00 0.00 C ATOM 275 CD2 TYR A 440 -1.204 -7.114 -4.694 1.00 0.00 C ATOM 276 CE1 TYR A 440 -3.354 -8.799 -5.084 1.00 0.00 C ATOM 277 CE2 TYR A 440 -1.586 -7.984 -3.692 1.00 0.00 C ATOM 278 CZ TYR A 440 -2.662 -8.824 -3.891 1.00 0.00 C ATOM 279 OH TYR A 440 -3.047 -9.691 -2.894 1.00 0.00 O ATOM 0 H TYR A 440 -1.333 -4.790 -9.081 1.00 0.00 H new ATOM 0 HA TYR A 440 -3.471 -5.684 -7.622 1.00 0.00 H new ATOM 0 HB2 TYR A 440 -1.155 -6.694 -7.874 1.00 0.00 H new ATOM 0 HB3 TYR A 440 -0.586 -5.559 -6.666 1.00 0.00 H new ATOM 0 HD1 TYR A 440 -3.506 -7.911 -7.015 1.00 0.00 H new ATOM 0 HD2 TYR A 440 -0.363 -6.456 -4.533 1.00 0.00 H new ATOM 0 HE1 TYR A 440 -4.196 -9.457 -5.237 1.00 0.00 H new ATOM 0 HE2 TYR A 440 -1.045 -8.007 -2.757 1.00 0.00 H new ATOM 0 HH TYR A 440 -2.455 -9.583 -2.120 1.00 0.00 H new ATOM 289 N ILE A 441 -2.065 -3.071 -6.232 1.00 0.00 N ATOM 290 CA ILE A 441 -2.227 -2.060 -5.195 1.00 0.00 C ATOM 291 C ILE A 441 -3.701 -1.795 -4.910 1.00 0.00 C ATOM 292 O ILE A 441 -4.086 -1.515 -3.774 1.00 0.00 O ATOM 293 CB ILE A 441 -1.546 -0.735 -5.589 1.00 0.00 C ATOM 294 CG1 ILE A 441 -0.061 -0.965 -5.873 1.00 0.00 C ATOM 295 CG2 ILE A 441 -1.727 0.300 -4.489 1.00 0.00 C ATOM 296 CD1 ILE A 441 0.648 0.258 -6.412 1.00 0.00 C ATOM 0 H ILE A 441 -1.327 -2.869 -6.906 1.00 0.00 H new ATOM 0 HA ILE A 441 -1.750 -2.452 -4.296 1.00 0.00 H new ATOM 0 HB ILE A 441 -2.016 -0.357 -6.497 1.00 0.00 H new ATOM 0 HG12 ILE A 441 0.431 -1.285 -4.954 1.00 0.00 H new ATOM 0 HG13 ILE A 441 0.042 -1.780 -6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 441 -1.241 1.231 -4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 441 -2.790 0.480 -4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 441 -1.280 -0.068 -3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 441 1.697 0.021 -6.590 1.00 0.00 H new ATOM 0 HD12 ILE A 441 0.182 0.566 -7.348 1.00 0.00 H new ATOM 0 HD13 ILE A 441 0.577 1.069 -5.687 1.00 0.00 H new ATOM 308 N THR A 442 -4.525 -1.888 -5.949 1.00 0.00 N ATOM 309 CA THR A 442 -5.958 -1.660 -5.811 1.00 0.00 C ATOM 310 C THR A 442 -6.718 -2.978 -5.721 1.00 0.00 C ATOM 311 O THR A 442 -7.736 -3.074 -5.036 1.00 0.00 O ATOM 312 CB THR A 442 -6.513 -0.841 -6.992 1.00 0.00 C ATOM 313 OG1 THR A 442 -6.277 -1.534 -8.223 1.00 0.00 O ATOM 314 CG2 THR A 442 -5.865 0.535 -7.047 1.00 0.00 C ATOM 0 H THR A 442 -4.224 -2.120 -6.896 1.00 0.00 H new ATOM 0 HA THR A 442 -6.101 -1.097 -4.889 1.00 0.00 H new ATOM 0 HB THR A 442 -7.586 -0.715 -6.846 1.00 0.00 H new ATOM 0 HG1 THR A 442 -5.373 -1.911 -8.218 1.00 0.00 H new ATOM 0 HG21 THR A 442 -6.272 1.096 -7.889 1.00 0.00 H new ATOM 0 HG22 THR A 442 -6.070 1.071 -6.121 1.00 0.00 H new ATOM 0 HG23 THR A 442 -4.788 0.425 -7.171 1.00 0.00 H new ATOM 322 N GLY A 443 -6.217 -3.995 -6.417 1.00 0.00 N ATOM 323 CA GLY A 443 -6.862 -5.295 -6.401 1.00 0.00 C ATOM 324 C GLY A 443 -7.342 -5.721 -7.774 1.00 0.00 C ATOM 325 O GLY A 443 -7.760 -6.863 -7.967 1.00 0.00 O ATOM 0 H GLY A 443 -5.376 -3.941 -6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -6.164 -6.039 -6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -7.709 -5.268 -5.715 1.00 0.00 H new ATOM 329 N PHE A 444 -7.283 -4.801 -8.731 1.00 0.00 N ATOM 330 CA PHE A 444 -7.718 -5.087 -10.094 1.00 0.00 C ATOM 331 C PHE A 444 -6.522 -5.381 -10.995 1.00 0.00 C ATOM 332 O PHE A 444 -5.858 -4.466 -11.483 1.00 0.00 O ATOM 333 CB PHE A 444 -8.516 -3.908 -10.655 1.00 0.00 C ATOM 334 CG PHE A 444 -9.198 -4.213 -11.958 1.00 0.00 C ATOM 335 CD1 PHE A 444 -8.460 -4.388 -13.117 1.00 0.00 C ATOM 336 CD2 PHE A 444 -10.578 -4.323 -12.024 1.00 0.00 C ATOM 337 CE1 PHE A 444 -9.085 -4.668 -14.317 1.00 0.00 C ATOM 338 CE2 PHE A 444 -11.209 -4.603 -13.221 1.00 0.00 C ATOM 339 CZ PHE A 444 -10.461 -4.776 -14.369 1.00 0.00 C ATOM 0 H PHE A 444 -6.939 -3.852 -8.588 1.00 0.00 H new ATOM 0 HA PHE A 444 -8.357 -5.970 -10.068 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -9.266 -3.606 -9.924 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -7.846 -3.059 -10.794 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -7.384 -4.305 -13.082 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -11.167 -4.188 -11.129 1.00 0.00 H new ATOM 0 HE1 PHE A 444 -8.498 -4.802 -15.214 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -12.285 -4.686 -13.259 1.00 0.00 H new ATOM 0 HZ PHE A 444 -10.951 -4.995 -15.306 1.00 0.00 H new ATOM 349 N CYS A 445 -6.254 -6.664 -11.212 1.00 0.00 N ATOM 350 CA CYS A 445 -5.139 -7.082 -12.054 1.00 0.00 C ATOM 351 C CYS A 445 -5.568 -8.185 -13.017 1.00 0.00 C ATOM 352 O CYS A 445 -5.855 -9.308 -12.602 1.00 0.00 O ATOM 353 CB CYS A 445 -3.975 -7.568 -11.189 1.00 0.00 C ATOM 354 SG CYS A 445 -2.528 -8.133 -12.140 1.00 0.00 S ATOM 0 H CYS A 445 -6.794 -7.433 -10.816 1.00 0.00 H new ATOM 0 HA CYS A 445 -4.814 -6.221 -12.638 1.00 0.00 H new ATOM 0 HB2 CYS A 445 -3.667 -6.760 -10.525 1.00 0.00 H new ATOM 0 HB3 CYS A 445 -4.322 -8.385 -10.557 1.00 0.00 H new ATOM 0 HG CYS A 445 -2.706 -9.366 -12.510 1.00 0.00 H new ATOM 359 N ALA A 446 -5.608 -7.857 -14.304 1.00 0.00 N ATOM 360 CA ALA A 446 -5.999 -8.819 -15.326 1.00 0.00 C ATOM 361 C ALA A 446 -5.414 -10.197 -15.035 1.00 0.00 C ATOM 362 O ALA A 446 -6.149 -11.163 -14.827 1.00 0.00 O ATOM 363 CB ALA A 446 -5.559 -8.337 -16.701 1.00 0.00 C ATOM 0 H ALA A 446 -5.374 -6.932 -14.664 1.00 0.00 H new ATOM 0 HA ALA A 446 -7.086 -8.904 -15.313 1.00 0.00 H new ATOM 0 HB1 ALA A 446 -5.858 -9.066 -17.455 1.00 0.00 H new ATOM 0 HB2 ALA A 446 -6.029 -7.377 -16.918 1.00 0.00 H new ATOM 0 HB3 ALA A 446 -4.475 -8.222 -16.717 1.00 0.00 H new ATOM 369 N ARG A 447 -4.088 -10.281 -15.022 1.00 0.00 N ATOM 370 CA ARG A 447 -3.405 -11.542 -14.758 1.00 0.00 C ATOM 371 C ARG A 447 -3.249 -11.772 -13.257 1.00 0.00 C ATOM 372 O ARG A 447 -2.492 -11.070 -12.587 1.00 0.00 O ATOM 373 CB ARG A 447 -2.031 -11.553 -15.431 1.00 0.00 C ATOM 374 CG ARG A 447 -2.082 -11.885 -16.913 1.00 0.00 C ATOM 375 CD ARG A 447 -0.755 -11.596 -17.595 1.00 0.00 C ATOM 376 NE ARG A 447 -0.892 -11.508 -19.047 1.00 0.00 N ATOM 377 CZ ARG A 447 -0.279 -10.593 -19.789 1.00 0.00 C ATOM 378 NH1 ARG A 447 0.511 -9.693 -19.219 1.00 0.00 N ATOM 379 NH2 ARG A 447 -0.454 -10.577 -21.104 1.00 0.00 N ATOM 0 H ARG A 447 -3.465 -9.491 -15.191 1.00 0.00 H new ATOM 0 HA ARG A 447 -4.011 -12.348 -15.171 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.565 -10.576 -15.302 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -1.394 -12.279 -14.926 1.00 0.00 H new ATOM 0 HG2 ARG A 447 -2.337 -12.937 -17.043 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -2.871 -11.304 -17.390 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -0.347 -10.660 -17.212 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -0.041 -12.381 -17.345 1.00 0.00 H new ATOM 0 HE ARG A 447 -1.491 -12.187 -19.517 1.00 0.00 H new ATOM 0 HH11 ARG A 447 0.649 -9.703 -18.208 1.00 0.00 H new ATOM 0 HH12 ARG A 447 0.981 -8.991 -19.791 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -1.060 -11.268 -21.546 1.00 0.00 H new ATOM 0 HH22 ARG A 447 0.017 -9.874 -21.673 1.00 0.00 H new ATOM 393 N ALA A 448 -3.971 -12.759 -12.737 1.00 0.00 N ATOM 394 CA ALA A 448 -3.912 -13.083 -11.317 1.00 0.00 C ATOM 395 C ALA A 448 -2.704 -13.960 -11.004 1.00 0.00 C ATOM 396 O ALA A 448 -1.686 -13.475 -10.511 1.00 0.00 O ATOM 397 CB ALA A 448 -5.195 -13.773 -10.880 1.00 0.00 C ATOM 0 H ALA A 448 -4.604 -13.348 -13.278 1.00 0.00 H new ATOM 0 HA ALA A 448 -3.806 -12.152 -10.761 1.00 0.00 H new ATOM 0 HB1 ALA A 448 -5.137 -14.009 -9.817 1.00 0.00 H new ATOM 0 HB2 ALA A 448 -6.043 -13.112 -11.059 1.00 0.00 H new ATOM 0 HB3 ALA A 448 -5.326 -14.693 -11.450 1.00 0.00 H new ATOM 403 N GLU A 449 -2.826 -15.252 -11.292 1.00 0.00 N ATOM 404 CA GLU A 449 -1.743 -16.195 -11.039 1.00 0.00 C ATOM 405 C GLU A 449 -0.716 -16.161 -12.167 1.00 0.00 C ATOM 406 O GLU A 449 0.266 -16.901 -12.149 1.00 0.00 O ATOM 407 CB GLU A 449 -2.298 -17.613 -10.882 1.00 0.00 C ATOM 408 CG GLU A 449 -3.410 -17.720 -9.852 1.00 0.00 C ATOM 409 CD GLU A 449 -2.888 -18.021 -8.460 1.00 0.00 C ATOM 410 OE1 GLU A 449 -1.830 -17.471 -8.091 1.00 0.00 O ATOM 411 OE2 GLU A 449 -3.540 -18.806 -7.740 1.00 0.00 O ATOM 0 H GLU A 449 -3.663 -15.669 -11.700 1.00 0.00 H new ATOM 0 HA GLU A 449 -1.249 -15.901 -10.113 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -2.673 -17.956 -11.846 1.00 0.00 H new ATOM 0 HB3 GLU A 449 -1.486 -18.283 -10.599 1.00 0.00 H new ATOM 0 HG2 GLU A 449 -3.972 -16.786 -9.831 1.00 0.00 H new ATOM 0 HG3 GLU A 449 -4.105 -18.504 -10.153 1.00 0.00 H new ATOM 418 N ASN A 450 -0.953 -15.297 -13.149 1.00 0.00 N ATOM 419 CA ASN A 450 -0.050 -15.167 -14.287 1.00 0.00 C ATOM 420 C ASN A 450 0.831 -13.930 -14.143 1.00 0.00 C ATOM 421 O ASN A 450 1.727 -13.694 -14.954 1.00 0.00 O ATOM 422 CB ASN A 450 -0.847 -15.090 -15.591 1.00 0.00 C ATOM 423 CG ASN A 450 -0.026 -15.506 -16.796 1.00 0.00 C ATOM 424 OD1 ASN A 450 1.101 -15.982 -16.658 1.00 0.00 O ATOM 425 ND2 ASN A 450 -0.588 -15.326 -17.985 1.00 0.00 N ATOM 0 H ASN A 450 -1.762 -14.677 -13.180 1.00 0.00 H new ATOM 0 HA ASN A 450 0.592 -16.048 -14.313 1.00 0.00 H new ATOM 0 HB2 ASN A 450 -1.726 -15.730 -15.515 1.00 0.00 H new ATOM 0 HB3 ASN A 450 -1.207 -14.071 -15.734 1.00 0.00 H new ATOM 0 HD21 ASN A 450 -0.083 -15.586 -18.832 1.00 0.00 H new ATOM 0 HD22 ASN A 450 -1.525 -14.928 -18.051 1.00 0.00 H new ATOM 432 N CYS A 451 0.572 -13.143 -13.104 1.00 0.00 N ATOM 433 CA CYS A 451 1.341 -11.930 -12.852 1.00 0.00 C ATOM 434 C CYS A 451 2.758 -12.269 -12.398 1.00 0.00 C ATOM 435 O CYS A 451 2.977 -12.797 -11.307 1.00 0.00 O ATOM 436 CB CYS A 451 0.645 -11.071 -11.794 1.00 0.00 C ATOM 437 SG CYS A 451 1.237 -9.350 -11.727 1.00 0.00 S ATOM 0 H CYS A 451 -0.165 -13.324 -12.423 1.00 0.00 H new ATOM 0 HA CYS A 451 1.402 -11.368 -13.784 1.00 0.00 H new ATOM 0 HB2 CYS A 451 -0.427 -11.068 -11.992 1.00 0.00 H new ATOM 0 HB3 CYS A 451 0.788 -11.531 -10.816 1.00 0.00 H new ATOM 0 HG CYS A 451 0.817 -8.789 -10.632 1.00 0.00 H new ATOM 442 N PRO A 452 3.743 -11.958 -13.253 1.00 0.00 N ATOM 443 CA PRO A 452 5.156 -12.219 -12.961 1.00 0.00 C ATOM 444 C PRO A 452 5.696 -11.317 -11.857 1.00 0.00 C ATOM 445 O PRO A 452 6.880 -11.370 -11.522 1.00 0.00 O ATOM 446 CB PRO A 452 5.854 -11.916 -14.289 1.00 0.00 C ATOM 447 CG PRO A 452 4.952 -10.953 -14.980 1.00 0.00 C ATOM 448 CD PRO A 452 3.554 -11.327 -14.570 1.00 0.00 C ATOM 0 HA PRO A 452 5.317 -13.235 -12.601 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.843 -11.486 -14.128 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.993 -12.822 -14.879 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.182 -9.927 -14.692 1.00 0.00 H new ATOM 0 HG3 PRO A 452 5.071 -11.014 -16.062 1.00 0.00 H new ATOM 0 HD2 PRO A 452 2.906 -10.453 -14.508 1.00 0.00 H new ATOM 0 HD3 PRO A 452 3.096 -12.013 -15.282 1.00 0.00 H new ATOM 456 N TYR A 453 4.822 -10.490 -11.294 1.00 0.00 N ATOM 457 CA TYR A 453 5.213 -9.575 -10.228 1.00 0.00 C ATOM 458 C TYR A 453 4.809 -10.124 -8.863 1.00 0.00 C ATOM 459 O TYR A 453 4.294 -11.237 -8.757 1.00 0.00 O ATOM 460 CB TYR A 453 4.575 -8.202 -10.447 1.00 0.00 C ATOM 461 CG TYR A 453 5.147 -7.449 -11.627 1.00 0.00 C ATOM 462 CD1 TYR A 453 4.785 -7.778 -12.927 1.00 0.00 C ATOM 463 CD2 TYR A 453 6.051 -6.411 -11.441 1.00 0.00 C ATOM 464 CE1 TYR A 453 5.307 -7.093 -14.008 1.00 0.00 C ATOM 465 CE2 TYR A 453 6.577 -5.720 -12.516 1.00 0.00 C ATOM 466 CZ TYR A 453 6.201 -6.065 -13.797 1.00 0.00 C ATOM 467 OH TYR A 453 6.723 -5.380 -14.871 1.00 0.00 O ATOM 0 H TYR A 453 3.838 -10.434 -11.558 1.00 0.00 H new ATOM 0 HA TYR A 453 6.298 -9.472 -10.251 1.00 0.00 H new ATOM 0 HB2 TYR A 453 3.502 -8.328 -10.593 1.00 0.00 H new ATOM 0 HB3 TYR A 453 4.706 -7.602 -9.546 1.00 0.00 H new ATOM 0 HD1 TYR A 453 4.084 -8.582 -13.096 1.00 0.00 H new ATOM 0 HD2 TYR A 453 6.348 -6.139 -10.439 1.00 0.00 H new ATOM 0 HE1 TYR A 453 5.016 -7.362 -15.013 1.00 0.00 H new ATOM 0 HE2 TYR A 453 7.278 -4.915 -12.354 1.00 0.00 H new ATOM 0 HH TYR A 453 7.336 -4.686 -14.550 1.00 0.00 H new ATOM 477 N MET A 454 5.046 -9.334 -7.821 1.00 0.00 N ATOM 478 CA MET A 454 4.706 -9.739 -6.462 1.00 0.00 C ATOM 479 C MET A 454 3.363 -9.152 -6.040 1.00 0.00 C ATOM 480 O MET A 454 3.064 -7.992 -6.326 1.00 0.00 O ATOM 481 CB MET A 454 5.798 -9.297 -5.487 1.00 0.00 C ATOM 482 CG MET A 454 7.086 -10.095 -5.614 1.00 0.00 C ATOM 483 SD MET A 454 7.013 -11.675 -4.749 1.00 0.00 S ATOM 484 CE MET A 454 7.992 -11.309 -3.294 1.00 0.00 C ATOM 0 H MET A 454 5.472 -8.410 -7.892 1.00 0.00 H new ATOM 0 HA MET A 454 4.630 -10.826 -6.442 1.00 0.00 H new ATOM 0 HB2 MET A 454 6.016 -8.242 -5.653 1.00 0.00 H new ATOM 0 HB3 MET A 454 5.422 -9.389 -4.468 1.00 0.00 H new ATOM 0 HG2 MET A 454 7.296 -10.272 -6.669 1.00 0.00 H new ATOM 0 HG3 MET A 454 7.914 -9.507 -5.218 1.00 0.00 H new ATOM 0 HE1 MET A 454 8.130 -12.219 -2.710 1.00 0.00 H new ATOM 0 HE2 MET A 454 8.964 -10.922 -3.598 1.00 0.00 H new ATOM 0 HE3 MET A 454 7.478 -10.563 -2.688 1.00 0.00 H new ATOM 494 N HIS A 455 2.556 -9.960 -5.359 1.00 0.00 N ATOM 495 CA HIS A 455 1.245 -9.519 -4.897 1.00 0.00 C ATOM 496 C HIS A 455 1.148 -9.603 -3.377 1.00 0.00 C ATOM 497 O HIS A 455 1.205 -8.588 -2.685 1.00 0.00 O ATOM 498 CB HIS A 455 0.144 -10.366 -5.538 1.00 0.00 C ATOM 499 CG HIS A 455 -0.211 -9.936 -6.927 1.00 0.00 C ATOM 500 ND1 HIS A 455 -1.380 -10.309 -7.556 1.00 0.00 N ATOM 501 CD2 HIS A 455 0.457 -9.157 -7.811 1.00 0.00 C ATOM 502 CE1 HIS A 455 -1.416 -9.780 -8.766 1.00 0.00 C ATOM 503 NE2 HIS A 455 -0.313 -9.076 -8.945 1.00 0.00 N ATOM 0 H HIS A 455 2.787 -10.923 -5.115 1.00 0.00 H new ATOM 0 HA HIS A 455 1.113 -8.479 -5.195 1.00 0.00 H new ATOM 0 HB2 HIS A 455 0.465 -11.408 -5.560 1.00 0.00 H new ATOM 0 HB3 HIS A 455 -0.748 -10.320 -4.913 1.00 0.00 H new ATOM 0 HD1 HIS A 455 -2.104 -10.901 -7.150 1.00 0.00 H new ATOM 0 HD2 HIS A 455 1.417 -8.687 -7.653 1.00 0.00 H new ATOM 0 HE1 HIS A 455 -2.212 -9.902 -9.486 1.00 0.00 H new ATOM 511 N GLY A 456 0.999 -10.821 -2.864 1.00 0.00 N ATOM 512 CA GLY A 456 0.895 -11.014 -1.430 1.00 0.00 C ATOM 513 C GLY A 456 2.246 -10.995 -0.743 1.00 0.00 C ATOM 514 O GLY A 456 2.511 -10.135 0.097 1.00 0.00 O ATOM 0 H GLY A 456 0.949 -11.677 -3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 456 0.264 -10.233 -1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 456 0.402 -11.965 -1.229 1.00 0.00 H new ATOM 518 N ASP A 457 3.102 -11.947 -1.099 1.00 0.00 N ATOM 519 CA ASP A 457 4.433 -12.037 -0.510 1.00 0.00 C ATOM 520 C ASP A 457 4.987 -10.649 -0.204 1.00 0.00 C ATOM 521 O ASP A 457 5.443 -10.382 0.908 1.00 0.00 O ATOM 522 CB ASP A 457 5.381 -12.782 -1.452 1.00 0.00 C ATOM 523 CG ASP A 457 5.152 -14.281 -1.437 1.00 0.00 C ATOM 524 OD1 ASP A 457 4.719 -14.805 -0.389 1.00 0.00 O ATOM 525 OD2 ASP A 457 5.404 -14.929 -2.474 1.00 0.00 O ATOM 0 H ASP A 457 2.898 -12.667 -1.792 1.00 0.00 H new ATOM 0 HA ASP A 457 4.353 -12.591 0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 457 5.249 -12.407 -2.467 1.00 0.00 H new ATOM 0 HB3 ASP A 457 6.412 -12.572 -1.166 1.00 0.00 H new ATOM 530 N PHE A 458 4.946 -9.769 -1.199 1.00 0.00 N ATOM 531 CA PHE A 458 5.446 -8.408 -1.037 1.00 0.00 C ATOM 532 C PHE A 458 5.054 -7.843 0.325 1.00 0.00 C ATOM 533 O PHE A 458 3.888 -7.862 0.722 1.00 0.00 O ATOM 534 CB PHE A 458 4.905 -7.508 -2.150 1.00 0.00 C ATOM 535 CG PHE A 458 5.712 -6.258 -2.355 1.00 0.00 C ATOM 536 CD1 PHE A 458 6.916 -6.301 -3.040 1.00 0.00 C ATOM 537 CD2 PHE A 458 5.268 -5.041 -1.864 1.00 0.00 C ATOM 538 CE1 PHE A 458 7.661 -5.152 -3.230 1.00 0.00 C ATOM 539 CE2 PHE A 458 6.009 -3.890 -2.051 1.00 0.00 C ATOM 540 CZ PHE A 458 7.207 -3.945 -2.736 1.00 0.00 C ATOM 0 H PHE A 458 4.572 -9.973 -2.126 1.00 0.00 H new ATOM 0 HA PHE A 458 6.534 -8.437 -1.099 1.00 0.00 H new ATOM 0 HB2 PHE A 458 4.880 -8.072 -3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 458 3.877 -7.233 -1.916 1.00 0.00 H new ATOM 0 HD1 PHE A 458 7.276 -7.242 -3.429 1.00 0.00 H new ATOM 0 HD2 PHE A 458 4.331 -4.991 -1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 458 8.598 -5.198 -3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 458 5.652 -2.948 -1.662 1.00 0.00 H new ATOM 0 HZ PHE A 458 7.787 -3.046 -2.885 1.00 0.00 H new ATOM 550 N PRO A 459 6.051 -7.329 1.061 1.00 0.00 N ATOM 551 CA PRO A 459 5.836 -6.749 2.390 1.00 0.00 C ATOM 552 C PRO A 459 5.069 -5.432 2.331 1.00 0.00 C ATOM 553 O PRO A 459 5.293 -4.611 1.441 1.00 0.00 O ATOM 554 CB PRO A 459 7.257 -6.517 2.909 1.00 0.00 C ATOM 555 CG PRO A 459 8.090 -6.376 1.683 1.00 0.00 C ATOM 556 CD PRO A 459 7.464 -7.273 0.651 1.00 0.00 C ATOM 0 HA PRO A 459 5.235 -7.399 3.026 1.00 0.00 H new ATOM 0 HB2 PRO A 459 7.311 -5.622 3.529 1.00 0.00 H new ATOM 0 HB3 PRO A 459 7.595 -7.351 3.523 1.00 0.00 H new ATOM 0 HG2 PRO A 459 8.109 -5.341 1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 459 9.123 -6.666 1.877 1.00 0.00 H new ATOM 0 HD2 PRO A 459 7.575 -6.867 -0.355 1.00 0.00 H new ATOM 0 HD3 PRO A 459 7.921 -8.262 0.648 1.00 0.00 H new ATOM 564 N CYS A 460 4.163 -5.238 3.283 1.00 0.00 N ATOM 565 CA CYS A 460 3.362 -4.021 3.340 1.00 0.00 C ATOM 566 C CYS A 460 4.253 -2.788 3.466 1.00 0.00 C ATOM 567 O CYS A 460 5.293 -2.825 4.124 1.00 0.00 O ATOM 568 CB CYS A 460 2.388 -4.081 4.518 1.00 0.00 C ATOM 569 SG CYS A 460 1.077 -2.818 4.464 1.00 0.00 S ATOM 0 H CYS A 460 3.965 -5.908 4.026 1.00 0.00 H new ATOM 0 HA CYS A 460 2.796 -3.946 2.412 1.00 0.00 H new ATOM 0 HB2 CYS A 460 1.926 -5.068 4.544 1.00 0.00 H new ATOM 0 HB3 CYS A 460 2.949 -3.967 5.446 1.00 0.00 H new ATOM 0 HG CYS A 460 -0.085 -3.395 4.539 1.00 0.00 H new ATOM 574 N LYS A 461 3.838 -1.698 2.831 1.00 0.00 N ATOM 575 CA LYS A 461 4.596 -0.453 2.871 1.00 0.00 C ATOM 576 C LYS A 461 4.377 0.274 4.194 1.00 0.00 C ATOM 577 O LYS A 461 5.288 0.373 5.018 1.00 0.00 O ATOM 578 CB LYS A 461 4.191 0.453 1.706 1.00 0.00 C ATOM 579 CG LYS A 461 4.828 1.831 1.757 1.00 0.00 C ATOM 580 CD LYS A 461 4.294 2.733 0.658 1.00 0.00 C ATOM 581 CE LYS A 461 4.890 4.130 0.745 1.00 0.00 C ATOM 582 NZ LYS A 461 6.331 4.143 0.370 1.00 0.00 N ATOM 0 H LYS A 461 2.980 -1.651 2.282 1.00 0.00 H new ATOM 0 HA LYS A 461 5.654 -0.698 2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 461 4.465 -0.030 0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 461 3.107 0.563 1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 461 4.635 2.286 2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 461 5.909 1.737 1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 461 4.524 2.298 -0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 461 3.208 2.794 0.731 1.00 0.00 H new ATOM 0 HE2 LYS A 461 4.338 4.802 0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 461 4.775 4.511 1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 6.910 4.290 1.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 6.584 3.234 -0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 6.507 4.914 -0.306 1.00 0.00 H new ATOM 596 N LEU A 462 3.165 0.780 4.393 1.00 0.00 N ATOM 597 CA LEU A 462 2.827 1.497 5.618 1.00 0.00 C ATOM 598 C LEU A 462 3.342 0.752 6.845 1.00 0.00 C ATOM 599 O LEU A 462 4.120 1.293 7.631 1.00 0.00 O ATOM 600 CB LEU A 462 1.312 1.686 5.719 1.00 0.00 C ATOM 601 CG LEU A 462 0.721 2.830 4.895 1.00 0.00 C ATOM 602 CD1 LEU A 462 -0.797 2.821 4.981 1.00 0.00 C ATOM 603 CD2 LEU A 462 1.276 4.167 5.365 1.00 0.00 C ATOM 0 H LEU A 462 2.400 0.707 3.722 1.00 0.00 H new ATOM 0 HA LEU A 462 3.307 2.475 5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 462 0.829 0.758 5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 462 1.056 1.849 6.766 1.00 0.00 H new ATOM 0 HG LEU A 462 1.006 2.687 3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.200 3.642 4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -1.178 1.875 4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.103 2.939 6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.845 4.970 4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 462 1.021 4.318 6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 462 2.360 4.172 5.250 1.00 0.00 H new ATOM 615 N TYR A 463 2.905 -0.492 7.001 1.00 0.00 N ATOM 616 CA TYR A 463 3.321 -1.312 8.133 1.00 0.00 C ATOM 617 C TYR A 463 4.803 -1.110 8.436 1.00 0.00 C ATOM 618 O TYR A 463 5.253 -1.322 9.562 1.00 0.00 O ATOM 619 CB TYR A 463 3.044 -2.790 7.848 1.00 0.00 C ATOM 620 CG TYR A 463 3.211 -3.681 9.059 1.00 0.00 C ATOM 621 CD1 TYR A 463 2.241 -3.725 10.053 1.00 0.00 C ATOM 622 CD2 TYR A 463 4.338 -4.479 9.207 1.00 0.00 C ATOM 623 CE1 TYR A 463 2.390 -4.537 11.160 1.00 0.00 C ATOM 624 CE2 TYR A 463 4.495 -5.296 10.311 1.00 0.00 C ATOM 625 CZ TYR A 463 3.519 -5.321 11.285 1.00 0.00 C ATOM 626 OH TYR A 463 3.670 -6.132 12.386 1.00 0.00 O ATOM 0 H TYR A 463 2.263 -0.955 6.358 1.00 0.00 H new ATOM 0 HA TYR A 463 2.745 -1.003 9.005 1.00 0.00 H new ATOM 0 HB2 TYR A 463 2.028 -2.894 7.468 1.00 0.00 H new ATOM 0 HB3 TYR A 463 3.715 -3.132 7.060 1.00 0.00 H new ATOM 0 HD1 TYR A 463 1.356 -3.114 9.958 1.00 0.00 H new ATOM 0 HD2 TYR A 463 5.105 -4.461 8.447 1.00 0.00 H new ATOM 0 HE1 TYR A 463 1.627 -4.558 11.924 1.00 0.00 H new ATOM 0 HE2 TYR A 463 5.377 -5.911 10.410 1.00 0.00 H new ATOM 0 HH TYR A 463 4.518 -6.618 12.320 1.00 0.00 H new ATOM 636 N HIS A 464 5.557 -0.698 7.422 1.00 0.00 N ATOM 637 CA HIS A 464 6.988 -0.465 7.578 1.00 0.00 C ATOM 638 C HIS A 464 7.281 1.023 7.746 1.00 0.00 C ATOM 639 O HIS A 464 7.956 1.431 8.692 1.00 0.00 O ATOM 640 CB HIS A 464 7.751 -1.014 6.372 1.00 0.00 C ATOM 641 CG HIS A 464 7.908 -2.504 6.391 1.00 0.00 C ATOM 642 ND1 HIS A 464 8.222 -3.213 7.531 1.00 0.00 N ATOM 643 CD2 HIS A 464 7.791 -3.419 5.400 1.00 0.00 C ATOM 644 CE1 HIS A 464 8.293 -4.500 7.240 1.00 0.00 C ATOM 645 NE2 HIS A 464 8.035 -4.652 5.954 1.00 0.00 N ATOM 0 H HIS A 464 5.201 -0.519 6.483 1.00 0.00 H new ATOM 0 HA HIS A 464 7.320 -0.987 8.476 1.00 0.00 H new ATOM 0 HB2 HIS A 464 7.230 -0.723 5.460 1.00 0.00 H new ATOM 0 HB3 HIS A 464 8.738 -0.553 6.336 1.00 0.00 H new ATOM 0 HD1 HIS A 464 8.375 -2.808 8.454 1.00 0.00 H new ATOM 0 HD2 HIS A 464 7.551 -3.217 4.367 1.00 0.00 H new ATOM 0 HE1 HIS A 464 8.523 -5.293 7.936 1.00 0.00 H new ATOM 653 N THR A 465 6.771 1.830 6.821 1.00 0.00 N ATOM 654 CA THR A 465 6.980 3.271 6.865 1.00 0.00 C ATOM 655 C THR A 465 7.048 3.773 8.302 1.00 0.00 C ATOM 656 O THR A 465 7.872 4.626 8.635 1.00 0.00 O ATOM 657 CB THR A 465 5.860 4.024 6.122 1.00 0.00 C ATOM 658 OG1 THR A 465 4.610 3.828 6.794 1.00 0.00 O ATOM 659 CG2 THR A 465 5.748 3.546 4.683 1.00 0.00 C ATOM 0 H THR A 465 6.210 1.509 6.032 1.00 0.00 H new ATOM 0 HA THR A 465 7.931 3.468 6.369 1.00 0.00 H new ATOM 0 HB THR A 465 6.108 5.086 6.116 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.571 2.917 7.153 1.00 0.00 H new ATOM 0 HG21 THR A 465 4.951 4.092 4.179 1.00 0.00 H new ATOM 0 HG22 THR A 465 6.691 3.723 4.166 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.522 2.480 4.670 1.00 0.00 H new ATOM 667 N THR A 466 6.177 3.239 9.153 1.00 0.00 N ATOM 668 CA THR A 466 6.138 3.634 10.555 1.00 0.00 C ATOM 669 C THR A 466 6.192 2.416 11.471 1.00 0.00 C ATOM 670 O THR A 466 6.691 2.492 12.592 1.00 0.00 O ATOM 671 CB THR A 466 4.869 4.447 10.875 1.00 0.00 C ATOM 672 OG1 THR A 466 3.706 3.728 10.449 1.00 0.00 O ATOM 673 CG2 THR A 466 4.910 5.805 10.193 1.00 0.00 C ATOM 0 H THR A 466 5.489 2.532 8.895 1.00 0.00 H new ATOM 0 HA THR A 466 7.014 4.258 10.732 1.00 0.00 H new ATOM 0 HB THR A 466 4.825 4.601 11.953 1.00 0.00 H new ATOM 0 HG1 THR A 466 2.904 4.251 10.658 1.00 0.00 H new ATOM 0 HG21 THR A 466 4.004 6.361 10.434 1.00 0.00 H new ATOM 0 HG22 THR A 466 5.780 6.361 10.542 1.00 0.00 H new ATOM 0 HG23 THR A 466 4.976 5.668 9.114 1.00 0.00 H new ATOM 681 N GLY A 467 5.675 1.292 10.983 1.00 0.00 N ATOM 682 CA GLY A 467 5.676 0.073 11.771 1.00 0.00 C ATOM 683 C GLY A 467 4.305 -0.570 11.844 1.00 0.00 C ATOM 684 O GLY A 467 4.183 -1.794 11.799 1.00 0.00 O ATOM 0 H GLY A 467 5.256 1.204 10.057 1.00 0.00 H new ATOM 0 HA2 GLY A 467 6.384 -0.635 11.339 1.00 0.00 H new ATOM 0 HA3 GLY A 467 6.024 0.296 12.780 1.00 0.00 H new ATOM 688 N ASN A 468 3.270 0.256 11.958 1.00 0.00 N ATOM 689 CA ASN A 468 1.901 -0.240 12.040 1.00 0.00 C ATOM 690 C ASN A 468 1.127 0.087 10.767 1.00 0.00 C ATOM 691 O ASN A 468 1.384 1.099 10.114 1.00 0.00 O ATOM 692 CB ASN A 468 1.190 0.364 13.252 1.00 0.00 C ATOM 693 CG ASN A 468 0.021 -0.483 13.717 1.00 0.00 C ATOM 694 OD1 ASN A 468 -1.139 -0.144 13.480 1.00 0.00 O ATOM 695 ND2 ASN A 468 0.321 -1.591 14.384 1.00 0.00 N ATOM 0 H ASN A 468 3.353 1.272 11.996 1.00 0.00 H new ATOM 0 HA ASN A 468 1.939 -1.324 12.152 1.00 0.00 H new ATOM 0 HB2 ASN A 468 1.902 0.476 14.069 1.00 0.00 H new ATOM 0 HB3 ASN A 468 0.834 1.363 13.001 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -0.424 -2.200 14.723 1.00 0.00 H new ATOM 0 HD22 ASN A 468 1.296 -1.833 14.558 1.00 0.00 H new ATOM 702 N CYS A 469 0.178 -0.776 10.420 1.00 0.00 N ATOM 703 CA CYS A 469 -0.635 -0.580 9.226 1.00 0.00 C ATOM 704 C CYS A 469 -2.016 -0.043 9.590 1.00 0.00 C ATOM 705 O CYS A 469 -2.683 -0.571 10.480 1.00 0.00 O ATOM 706 CB CYS A 469 -0.773 -1.895 8.456 1.00 0.00 C ATOM 707 SG CYS A 469 -1.427 -1.702 6.766 1.00 0.00 S ATOM 0 H CYS A 469 -0.047 -1.618 10.949 1.00 0.00 H new ATOM 0 HA CYS A 469 -0.135 0.153 8.593 1.00 0.00 H new ATOM 0 HB2 CYS A 469 0.203 -2.377 8.404 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -1.429 -2.563 9.014 1.00 0.00 H new ATOM 0 HG CYS A 469 -0.527 -2.079 5.907 1.00 0.00 H new ATOM 712 N ILE A 470 -2.439 1.008 8.895 1.00 0.00 N ATOM 713 CA ILE A 470 -3.741 1.614 9.144 1.00 0.00 C ATOM 714 C ILE A 470 -4.860 0.789 8.519 1.00 0.00 C ATOM 715 O ILE A 470 -6.016 0.880 8.930 1.00 0.00 O ATOM 716 CB ILE A 470 -3.807 3.050 8.592 1.00 0.00 C ATOM 717 CG1 ILE A 470 -5.154 3.690 8.935 1.00 0.00 C ATOM 718 CG2 ILE A 470 -3.583 3.050 7.087 1.00 0.00 C ATOM 719 CD1 ILE A 470 -5.358 3.910 10.418 1.00 0.00 C ATOM 0 H ILE A 470 -1.899 1.457 8.155 1.00 0.00 H new ATOM 0 HA ILE A 470 -3.875 1.642 10.225 1.00 0.00 H new ATOM 0 HB ILE A 470 -3.017 3.639 9.057 1.00 0.00 H new ATOM 0 HG12 ILE A 470 -5.234 4.647 8.419 1.00 0.00 H new ATOM 0 HG13 ILE A 470 -5.955 3.056 8.556 1.00 0.00 H new ATOM 0 HG21 ILE A 470 -3.633 4.072 6.712 1.00 0.00 H new ATOM 0 HG22 ILE A 470 -2.602 2.629 6.865 1.00 0.00 H new ATOM 0 HG23 ILE A 470 -4.353 2.449 6.604 1.00 0.00 H new ATOM 0 HD11 ILE A 470 -6.333 4.367 10.587 1.00 0.00 H new ATOM 0 HD12 ILE A 470 -5.310 2.953 10.938 1.00 0.00 H new ATOM 0 HD13 ILE A 470 -4.578 4.569 10.799 1.00 0.00 H new ATOM 731 N ASN A 471 -4.508 -0.018 7.524 1.00 0.00 N ATOM 732 CA ASN A 471 -5.483 -0.862 6.842 1.00 0.00 C ATOM 733 C ASN A 471 -6.307 -1.662 7.847 1.00 0.00 C ATOM 734 O ASN A 471 -7.533 -1.704 7.767 1.00 0.00 O ATOM 735 CB ASN A 471 -4.778 -1.812 5.872 1.00 0.00 C ATOM 736 CG ASN A 471 -3.948 -1.073 4.840 1.00 0.00 C ATOM 737 OD1 ASN A 471 -3.411 0.001 5.112 1.00 0.00 O ATOM 738 ND2 ASN A 471 -3.840 -1.647 3.647 1.00 0.00 N ATOM 0 H ASN A 471 -3.555 -0.106 7.172 1.00 0.00 H new ATOM 0 HA ASN A 471 -6.156 -0.215 6.280 1.00 0.00 H new ATOM 0 HB2 ASN A 471 -4.135 -2.489 6.434 1.00 0.00 H new ATOM 0 HB3 ASN A 471 -5.522 -2.426 5.364 1.00 0.00 H new ATOM 0 HD21 ASN A 471 -3.295 -1.197 2.912 1.00 0.00 H new ATOM 0 HD22 ASN A 471 -4.302 -2.538 3.466 1.00 0.00 H new ATOM 745 N GLY A 472 -5.622 -2.296 8.794 1.00 0.00 N ATOM 746 CA GLY A 472 -6.305 -3.086 9.801 1.00 0.00 C ATOM 747 C GLY A 472 -5.683 -4.456 9.984 1.00 0.00 C ATOM 748 O GLY A 472 -4.595 -4.725 9.475 1.00 0.00 O ATOM 0 H GLY A 472 -4.606 -2.276 8.881 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -6.286 -2.552 10.751 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -7.352 -3.200 9.520 1.00 0.00 H new ATOM 752 N ASP A 473 -6.374 -5.325 10.715 1.00 0.00 N ATOM 753 CA ASP A 473 -5.882 -6.675 10.965 1.00 0.00 C ATOM 754 C ASP A 473 -5.923 -7.512 9.691 1.00 0.00 C ATOM 755 O ASP A 473 -5.068 -8.371 9.473 1.00 0.00 O ATOM 756 CB ASP A 473 -6.712 -7.348 12.060 1.00 0.00 C ATOM 757 CG ASP A 473 -6.555 -6.668 13.405 1.00 0.00 C ATOM 758 OD1 ASP A 473 -7.319 -5.719 13.683 1.00 0.00 O ATOM 759 OD2 ASP A 473 -5.669 -7.083 14.181 1.00 0.00 O ATOM 0 H ASP A 473 -7.276 -5.118 11.144 1.00 0.00 H new ATOM 0 HA ASP A 473 -4.846 -6.603 11.298 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -7.763 -7.339 11.772 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -6.414 -8.393 12.147 1.00 0.00 H new ATOM 764 N ASP A 474 -6.922 -7.257 8.853 1.00 0.00 N ATOM 765 CA ASP A 474 -7.075 -7.987 7.600 1.00 0.00 C ATOM 766 C ASP A 474 -6.588 -7.151 6.421 1.00 0.00 C ATOM 767 O ASP A 474 -7.367 -6.787 5.540 1.00 0.00 O ATOM 768 CB ASP A 474 -8.537 -8.384 7.391 1.00 0.00 C ATOM 769 CG ASP A 474 -9.121 -9.097 8.595 1.00 0.00 C ATOM 770 OD1 ASP A 474 -8.343 -9.701 9.363 1.00 0.00 O ATOM 771 OD2 ASP A 474 -10.357 -9.050 8.769 1.00 0.00 O ATOM 0 H ASP A 474 -7.638 -6.550 9.019 1.00 0.00 H new ATOM 0 HA ASP A 474 -6.467 -8.890 7.658 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -9.126 -7.492 7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -8.613 -9.031 6.517 1.00 0.00 H new ATOM 776 N CYS A 475 -5.294 -6.849 6.411 1.00 0.00 N ATOM 777 CA CYS A 475 -4.702 -6.054 5.341 1.00 0.00 C ATOM 778 C CYS A 475 -4.580 -6.872 4.059 1.00 0.00 C ATOM 779 O CYS A 475 -4.479 -8.098 4.100 1.00 0.00 O ATOM 780 CB CYS A 475 -3.325 -5.538 5.763 1.00 0.00 C ATOM 781 SG CYS A 475 -2.655 -4.235 4.680 1.00 0.00 S ATOM 0 H CYS A 475 -4.635 -7.143 7.132 1.00 0.00 H new ATOM 0 HA CYS A 475 -5.357 -5.205 5.148 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -3.390 -5.152 6.780 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -2.626 -6.374 5.783 1.00 0.00 H new ATOM 0 HG CYS A 475 -2.186 -3.265 5.407 1.00 0.00 H new ATOM 786 N MET A 476 -4.590 -6.185 2.922 1.00 0.00 N ATOM 787 CA MET A 476 -4.479 -6.848 1.628 1.00 0.00 C ATOM 788 C MET A 476 -3.044 -7.293 1.366 1.00 0.00 C ATOM 789 O MET A 476 -2.796 -8.170 0.537 1.00 0.00 O ATOM 790 CB MET A 476 -4.947 -5.913 0.510 1.00 0.00 C ATOM 791 CG MET A 476 -3.974 -4.783 0.216 1.00 0.00 C ATOM 792 SD MET A 476 -2.594 -5.306 -0.820 1.00 0.00 S ATOM 793 CE MET A 476 -3.412 -5.502 -2.401 1.00 0.00 C ATOM 0 H MET A 476 -4.674 -5.170 2.870 1.00 0.00 H new ATOM 0 HA MET A 476 -5.117 -7.731 1.645 1.00 0.00 H new ATOM 0 HB2 MET A 476 -5.101 -6.495 -0.399 1.00 0.00 H new ATOM 0 HB3 MET A 476 -5.913 -5.488 0.783 1.00 0.00 H new ATOM 0 HG2 MET A 476 -4.506 -3.970 -0.278 1.00 0.00 H new ATOM 0 HG3 MET A 476 -3.588 -4.387 1.156 1.00 0.00 H new ATOM 0 HE1 MET A 476 -2.715 -5.261 -3.204 1.00 0.00 H new ATOM 0 HE2 MET A 476 -3.749 -6.533 -2.511 1.00 0.00 H new ATOM 0 HE3 MET A 476 -4.270 -4.832 -2.452 1.00 0.00 H new ATOM 803 N PHE A 477 -2.101 -6.685 2.078 1.00 0.00 N ATOM 804 CA PHE A 477 -0.690 -7.018 1.922 1.00 0.00 C ATOM 805 C PHE A 477 -0.200 -7.869 3.090 1.00 0.00 C ATOM 806 O PHE A 477 -0.825 -7.908 4.150 1.00 0.00 O ATOM 807 CB PHE A 477 0.149 -5.743 1.818 1.00 0.00 C ATOM 808 CG PHE A 477 0.122 -5.117 0.453 1.00 0.00 C ATOM 809 CD1 PHE A 477 0.446 -5.861 -0.671 1.00 0.00 C ATOM 810 CD2 PHE A 477 -0.227 -3.786 0.293 1.00 0.00 C ATOM 811 CE1 PHE A 477 0.422 -5.288 -1.928 1.00 0.00 C ATOM 812 CE2 PHE A 477 -0.253 -3.208 -0.962 1.00 0.00 C ATOM 813 CZ PHE A 477 0.073 -3.960 -2.074 1.00 0.00 C ATOM 0 H PHE A 477 -2.289 -5.959 2.769 1.00 0.00 H new ATOM 0 HA PHE A 477 -0.578 -7.594 1.003 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -0.213 -5.019 2.548 1.00 0.00 H new ATOM 0 HB3 PHE A 477 1.181 -5.974 2.083 1.00 0.00 H new ATOM 0 HD1 PHE A 477 0.720 -6.900 -0.563 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -0.482 -3.193 1.159 1.00 0.00 H new ATOM 0 HE1 PHE A 477 0.676 -5.878 -2.796 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -0.528 -2.170 -1.073 1.00 0.00 H new ATOM 0 HZ PHE A 477 0.055 -3.510 -3.056 1.00 0.00 H new ATOM 823 N SER A 478 0.923 -8.551 2.887 1.00 0.00 N ATOM 824 CA SER A 478 1.496 -9.405 3.921 1.00 0.00 C ATOM 825 C SER A 478 2.270 -8.578 4.942 1.00 0.00 C ATOM 826 O SER A 478 2.803 -7.515 4.622 1.00 0.00 O ATOM 827 CB SER A 478 2.417 -10.453 3.294 1.00 0.00 C ATOM 828 OG SER A 478 1.699 -11.304 2.417 1.00 0.00 O ATOM 0 H SER A 478 1.454 -8.529 2.016 1.00 0.00 H new ATOM 0 HA SER A 478 0.678 -9.910 4.434 1.00 0.00 H new ATOM 0 HB2 SER A 478 3.219 -9.957 2.748 1.00 0.00 H new ATOM 0 HB3 SER A 478 2.885 -11.046 4.079 1.00 0.00 H new ATOM 0 HG SER A 478 1.748 -10.950 1.505 1.00 0.00 H new ATOM 834 N HIS A 479 2.328 -9.073 6.174 1.00 0.00 N ATOM 835 CA HIS A 479 3.037 -8.381 7.244 1.00 0.00 C ATOM 836 C HIS A 479 4.234 -9.199 7.721 1.00 0.00 C ATOM 837 O HIS A 479 4.622 -9.127 8.888 1.00 0.00 O ATOM 838 CB HIS A 479 2.094 -8.105 8.416 1.00 0.00 C ATOM 839 CG HIS A 479 1.154 -6.965 8.172 1.00 0.00 C ATOM 840 ND1 HIS A 479 0.086 -6.680 8.997 1.00 0.00 N ATOM 841 CD2 HIS A 479 1.126 -6.035 7.189 1.00 0.00 C ATOM 842 CE1 HIS A 479 -0.558 -5.625 8.531 1.00 0.00 C ATOM 843 NE2 HIS A 479 0.053 -5.214 7.435 1.00 0.00 N ATOM 0 H HIS A 479 1.892 -9.951 6.456 1.00 0.00 H new ATOM 0 HA HIS A 479 3.401 -7.432 6.850 1.00 0.00 H new ATOM 0 HB2 HIS A 479 1.515 -9.004 8.625 1.00 0.00 H new ATOM 0 HB3 HIS A 479 2.686 -7.893 9.306 1.00 0.00 H new ATOM 0 HD2 HIS A 479 1.819 -5.954 6.364 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -1.435 -5.175 8.972 1.00 0.00 H new ATOM 0 HE2 HIS A 479 -0.227 -4.416 6.864 1.00 0.00 H new ATOM 851 N ASP A 480 4.813 -9.975 6.812 1.00 0.00 N ATOM 852 CA ASP A 480 5.966 -10.806 7.140 1.00 0.00 C ATOM 853 C ASP A 480 7.190 -9.946 7.436 1.00 0.00 C ATOM 854 O ASP A 480 7.284 -8.792 7.017 1.00 0.00 O ATOM 855 CB ASP A 480 6.269 -11.770 5.992 1.00 0.00 C ATOM 856 CG ASP A 480 7.312 -11.223 5.037 1.00 0.00 C ATOM 857 OD1 ASP A 480 7.132 -10.088 4.550 1.00 0.00 O ATOM 858 OD2 ASP A 480 8.308 -11.930 4.776 1.00 0.00 O ATOM 0 H ASP A 480 4.503 -10.046 5.843 1.00 0.00 H new ATOM 0 HA ASP A 480 5.725 -11.382 8.034 1.00 0.00 H new ATOM 0 HB2 ASP A 480 6.617 -12.719 6.400 1.00 0.00 H new ATOM 0 HB3 ASP A 480 5.350 -11.977 5.443 1.00 0.00 H new ATOM 863 N PRO A 481 8.152 -10.518 8.175 1.00 0.00 N ATOM 864 CA PRO A 481 9.387 -9.821 8.544 1.00 0.00 C ATOM 865 C PRO A 481 10.305 -9.597 7.347 1.00 0.00 C ATOM 866 O PRO A 481 10.576 -10.520 6.577 1.00 0.00 O ATOM 867 CB PRO A 481 10.043 -10.770 9.550 1.00 0.00 C ATOM 868 CG PRO A 481 9.507 -12.117 9.206 1.00 0.00 C ATOM 869 CD PRO A 481 8.106 -11.890 8.708 1.00 0.00 C ATOM 0 HA PRO A 481 9.190 -8.826 8.942 1.00 0.00 H new ATOM 0 HB2 PRO A 481 11.130 -10.744 9.468 1.00 0.00 H new ATOM 0 HB3 PRO A 481 9.794 -10.495 10.575 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.119 -12.598 8.443 1.00 0.00 H new ATOM 0 HG3 PRO A 481 9.510 -12.772 10.077 1.00 0.00 H new ATOM 0 HD2 PRO A 481 7.831 -12.611 7.938 1.00 0.00 H new ATOM 0 HD3 PRO A 481 7.374 -11.985 9.510 1.00 0.00 H new ATOM 877 N LEU A 482 10.783 -8.367 7.196 1.00 0.00 N ATOM 878 CA LEU A 482 11.672 -8.021 6.092 1.00 0.00 C ATOM 879 C LEU A 482 12.903 -8.922 6.082 1.00 0.00 C ATOM 880 O LEU A 482 13.359 -9.381 7.130 1.00 0.00 O ATOM 881 CB LEU A 482 12.099 -6.556 6.196 1.00 0.00 C ATOM 882 CG LEU A 482 11.053 -5.521 5.781 1.00 0.00 C ATOM 883 CD1 LEU A 482 11.598 -4.112 5.956 1.00 0.00 C ATOM 884 CD2 LEU A 482 10.616 -5.751 4.342 1.00 0.00 C ATOM 0 H LEU A 482 10.570 -7.592 7.824 1.00 0.00 H new ATOM 0 HA LEU A 482 11.128 -8.169 5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 482 12.390 -6.356 7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 482 12.987 -6.413 5.580 1.00 0.00 H new ATOM 0 HG LEU A 482 10.182 -5.634 6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 482 10.840 -3.389 5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 482 11.860 -3.950 7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 482 12.486 -3.986 5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 482 9.871 -5.005 4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 482 11.479 -5.666 3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 482 10.184 -6.747 4.248 1.00 0.00 H new ATOM 896 N THR A 483 13.438 -9.171 4.891 1.00 0.00 N ATOM 897 CA THR A 483 14.616 -10.016 4.743 1.00 0.00 C ATOM 898 C THR A 483 15.611 -9.405 3.763 1.00 0.00 C ATOM 899 O THR A 483 15.235 -8.628 2.887 1.00 0.00 O ATOM 900 CB THR A 483 14.237 -11.428 4.260 1.00 0.00 C ATOM 901 OG1 THR A 483 13.568 -11.351 2.996 1.00 0.00 O ATOM 902 CG2 THR A 483 13.340 -12.125 5.272 1.00 0.00 C ATOM 0 H THR A 483 13.074 -8.799 4.014 1.00 0.00 H new ATOM 0 HA THR A 483 15.079 -10.089 5.727 1.00 0.00 H new ATOM 0 HB THR A 483 15.154 -12.008 4.151 1.00 0.00 H new ATOM 0 HG1 THR A 483 13.332 -12.253 2.695 1.00 0.00 H new ATOM 0 HG21 THR A 483 13.086 -13.121 4.908 1.00 0.00 H new ATOM 0 HG22 THR A 483 13.863 -12.209 6.225 1.00 0.00 H new ATOM 0 HG23 THR A 483 12.427 -11.545 5.409 1.00 0.00 H new ATOM 910 N GLU A 484 16.882 -9.764 3.917 1.00 0.00 N ATOM 911 CA GLU A 484 17.931 -9.250 3.044 1.00 0.00 C ATOM 912 C GLU A 484 17.448 -9.176 1.598 1.00 0.00 C ATOM 913 O GLU A 484 17.895 -8.328 0.827 1.00 0.00 O ATOM 914 CB GLU A 484 19.177 -10.134 3.132 1.00 0.00 C ATOM 915 CG GLU A 484 19.060 -11.430 2.348 1.00 0.00 C ATOM 916 CD GLU A 484 19.588 -11.305 0.932 1.00 0.00 C ATOM 917 OE1 GLU A 484 20.823 -11.226 0.764 1.00 0.00 O ATOM 918 OE2 GLU A 484 18.766 -11.286 -0.008 1.00 0.00 O ATOM 0 H GLU A 484 17.210 -10.408 4.637 1.00 0.00 H new ATOM 0 HA GLU A 484 18.184 -8.243 3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 484 20.037 -9.573 2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 484 19.373 -10.369 4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 484 19.608 -12.216 2.868 1.00 0.00 H new ATOM 0 HG3 GLU A 484 18.015 -11.738 2.316 1.00 0.00 H new ATOM 925 N GLU A 485 16.532 -10.071 1.240 1.00 0.00 N ATOM 926 CA GLU A 485 15.990 -10.107 -0.113 1.00 0.00 C ATOM 927 C GLU A 485 14.932 -9.024 -0.305 1.00 0.00 C ATOM 928 O GLU A 485 15.178 -8.006 -0.951 1.00 0.00 O ATOM 929 CB GLU A 485 15.387 -11.482 -0.408 1.00 0.00 C ATOM 930 CG GLU A 485 16.379 -12.466 -1.006 1.00 0.00 C ATOM 931 CD GLU A 485 15.702 -13.568 -1.798 1.00 0.00 C ATOM 932 OE1 GLU A 485 15.012 -13.249 -2.788 1.00 0.00 O ATOM 933 OE2 GLU A 485 15.863 -14.750 -1.427 1.00 0.00 O ATOM 0 H GLU A 485 16.151 -10.779 1.867 1.00 0.00 H new ATOM 0 HA GLU A 485 16.807 -9.919 -0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 485 14.986 -11.899 0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 485 14.548 -11.362 -1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 485 17.071 -11.929 -1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 485 16.972 -12.910 -0.206 1.00 0.00 H new ATOM 940 N THR A 486 13.751 -9.252 0.262 1.00 0.00 N ATOM 941 CA THR A 486 12.654 -8.299 0.153 1.00 0.00 C ATOM 942 C THR A 486 13.119 -6.886 0.487 1.00 0.00 C ATOM 943 O THR A 486 12.877 -5.947 -0.273 1.00 0.00 O ATOM 944 CB THR A 486 11.487 -8.676 1.085 1.00 0.00 C ATOM 945 OG1 THR A 486 11.973 -8.906 2.412 1.00 0.00 O ATOM 946 CG2 THR A 486 10.772 -9.920 0.579 1.00 0.00 C ATOM 0 H THR A 486 13.530 -10.089 0.802 1.00 0.00 H new ATOM 0 HA THR A 486 12.309 -8.331 -0.880 1.00 0.00 H new ATOM 0 HB THR A 486 10.779 -7.848 1.097 1.00 0.00 H new ATOM 0 HG1 THR A 486 12.460 -9.756 2.439 1.00 0.00 H new ATOM 0 HG21 THR A 486 9.952 -10.168 1.253 1.00 0.00 H new ATOM 0 HG22 THR A 486 10.377 -9.732 -0.420 1.00 0.00 H new ATOM 0 HG23 THR A 486 11.474 -10.753 0.541 1.00 0.00 H new ATOM 954 N ARG A 487 13.787 -6.741 1.626 1.00 0.00 N ATOM 955 CA ARG A 487 14.285 -5.442 2.060 1.00 0.00 C ATOM 956 C ARG A 487 14.852 -4.656 0.881 1.00 0.00 C ATOM 957 O ARG A 487 14.530 -3.483 0.693 1.00 0.00 O ATOM 958 CB ARG A 487 15.360 -5.617 3.134 1.00 0.00 C ATOM 959 CG ARG A 487 15.358 -4.516 4.183 1.00 0.00 C ATOM 960 CD ARG A 487 15.771 -3.179 3.587 1.00 0.00 C ATOM 961 NE ARG A 487 15.630 -2.086 4.546 1.00 0.00 N ATOM 962 CZ ARG A 487 16.525 -1.815 5.489 1.00 0.00 C ATOM 963 NH1 ARG A 487 17.621 -2.553 5.599 1.00 0.00 N ATOM 964 NH2 ARG A 487 16.325 -0.803 6.324 1.00 0.00 N ATOM 0 H ARG A 487 13.996 -7.508 2.265 1.00 0.00 H new ATOM 0 HA ARG A 487 13.449 -4.882 2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 487 15.215 -6.578 3.628 1.00 0.00 H new ATOM 0 HB3 ARG A 487 16.339 -5.649 2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 487 14.363 -4.429 4.619 1.00 0.00 H new ATOM 0 HG3 ARG A 487 16.039 -4.781 4.992 1.00 0.00 H new ATOM 0 HD2 ARG A 487 16.807 -3.236 3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 487 15.162 -2.970 2.707 1.00 0.00 H new ATOM 0 HE ARG A 487 14.798 -1.499 4.488 1.00 0.00 H new ATOM 0 HH11 ARG A 487 17.778 -3.331 4.958 1.00 0.00 H new ATOM 0 HH12 ARG A 487 18.307 -2.343 6.324 1.00 0.00 H new ATOM 0 HH21 ARG A 487 15.483 -0.233 6.242 1.00 0.00 H new ATOM 0 HH22 ARG A 487 17.013 -0.596 7.048 1.00 0.00 H new ATOM 978 N GLU A 488 15.698 -5.310 0.092 1.00 0.00 N ATOM 979 CA GLU A 488 16.310 -4.672 -1.067 1.00 0.00 C ATOM 980 C GLU A 488 15.249 -4.040 -1.964 1.00 0.00 C ATOM 981 O GLU A 488 15.435 -2.940 -2.485 1.00 0.00 O ATOM 982 CB GLU A 488 17.129 -5.689 -1.865 1.00 0.00 C ATOM 983 CG GLU A 488 18.048 -5.056 -2.896 1.00 0.00 C ATOM 984 CD GLU A 488 17.324 -4.691 -4.177 1.00 0.00 C ATOM 985 OE1 GLU A 488 17.127 -5.589 -5.023 1.00 0.00 O ATOM 986 OE2 GLU A 488 16.956 -3.509 -4.335 1.00 0.00 O ATOM 0 H GLU A 488 15.975 -6.281 0.234 1.00 0.00 H new ATOM 0 HA GLU A 488 16.973 -3.885 -0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 488 17.727 -6.284 -1.174 1.00 0.00 H new ATOM 0 HB3 GLU A 488 16.449 -6.375 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 488 18.502 -4.160 -2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 488 18.860 -5.746 -3.126 1.00 0.00 H new ATOM 993 N LEU A 489 14.137 -4.745 -2.140 1.00 0.00 N ATOM 994 CA LEU A 489 13.045 -4.255 -2.975 1.00 0.00 C ATOM 995 C LEU A 489 12.617 -2.856 -2.544 1.00 0.00 C ATOM 996 O LEU A 489 12.702 -1.902 -3.320 1.00 0.00 O ATOM 997 CB LEU A 489 11.853 -5.211 -2.902 1.00 0.00 C ATOM 998 CG LEU A 489 12.137 -6.667 -3.272 1.00 0.00 C ATOM 999 CD1 LEU A 489 10.888 -7.516 -3.095 1.00 0.00 C ATOM 1000 CD2 LEU A 489 12.653 -6.764 -4.700 1.00 0.00 C ATOM 0 H LEU A 489 13.967 -5.657 -1.716 1.00 0.00 H new ATOM 0 HA LEU A 489 13.400 -4.205 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 489 11.454 -5.186 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 489 11.071 -4.835 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 489 12.908 -7.048 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 489 11.109 -8.549 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 489 10.563 -7.472 -2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 489 10.095 -7.136 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 489 12.850 -7.808 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 489 11.905 -6.365 -5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 489 13.574 -6.189 -4.794 1.00 0.00 H new ATOM 1012 N LEU A 490 12.157 -2.739 -1.303 1.00 0.00 N ATOM 1013 CA LEU A 490 11.717 -1.455 -0.768 1.00 0.00 C ATOM 1014 C LEU A 490 12.669 -0.338 -1.182 1.00 0.00 C ATOM 1015 O LEU A 490 12.256 0.648 -1.794 1.00 0.00 O ATOM 1016 CB LEU A 490 11.623 -1.522 0.757 1.00 0.00 C ATOM 1017 CG LEU A 490 10.549 -2.450 1.324 1.00 0.00 C ATOM 1018 CD1 LEU A 490 10.700 -2.584 2.831 1.00 0.00 C ATOM 1019 CD2 LEU A 490 9.160 -1.939 0.969 1.00 0.00 C ATOM 0 H LEU A 490 12.079 -3.517 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 490 10.731 -1.237 -1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 490 12.590 -1.838 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 490 11.441 -0.516 1.134 1.00 0.00 H new ATOM 0 HG LEU A 490 10.677 -3.436 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 490 9.927 -3.248 3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 490 11.682 -2.997 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 490 10.600 -1.603 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 490 8.408 -2.612 1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 490 9.022 -0.942 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 490 9.054 -1.897 -0.115 1.00 0.00 H new ATOM 1031 N ASP A 491 13.944 -0.498 -0.846 1.00 0.00 N ATOM 1032 CA ASP A 491 14.955 0.496 -1.186 1.00 0.00 C ATOM 1033 C ASP A 491 14.751 1.015 -2.606 1.00 0.00 C ATOM 1034 O ASP A 491 14.894 2.210 -2.868 1.00 0.00 O ATOM 1035 CB ASP A 491 16.356 -0.102 -1.046 1.00 0.00 C ATOM 1036 CG ASP A 491 16.766 -0.281 0.403 1.00 0.00 C ATOM 1037 OD1 ASP A 491 16.236 0.450 1.265 1.00 0.00 O ATOM 1038 OD2 ASP A 491 17.617 -1.154 0.675 1.00 0.00 O ATOM 0 H ASP A 491 14.302 -1.307 -0.338 1.00 0.00 H new ATOM 0 HA ASP A 491 14.854 1.332 -0.494 1.00 0.00 H new ATOM 0 HB2 ASP A 491 16.388 -1.067 -1.552 1.00 0.00 H new ATOM 0 HB3 ASP A 491 17.076 0.545 -1.547 1.00 0.00 H new ATOM 1043 N LYS A 492 14.416 0.111 -3.519 1.00 0.00 N ATOM 1044 CA LYS A 492 14.191 0.476 -4.913 1.00 0.00 C ATOM 1045 C LYS A 492 12.799 1.069 -5.102 1.00 0.00 C ATOM 1046 O LYS A 492 12.653 2.195 -5.578 1.00 0.00 O ATOM 1047 CB LYS A 492 14.363 -0.747 -5.816 1.00 0.00 C ATOM 1048 CG LYS A 492 14.301 -0.421 -7.299 1.00 0.00 C ATOM 1049 CD LYS A 492 15.674 -0.086 -7.855 1.00 0.00 C ATOM 1050 CE LYS A 492 15.914 1.416 -7.880 1.00 0.00 C ATOM 1051 NZ LYS A 492 15.089 2.092 -8.919 1.00 0.00 N ATOM 0 H LYS A 492 14.294 -0.882 -3.319 1.00 0.00 H new ATOM 0 HA LYS A 492 14.928 1.230 -5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 492 15.320 -1.219 -5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 492 13.587 -1.475 -5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 492 13.885 -1.270 -7.842 1.00 0.00 H new ATOM 0 HG3 LYS A 492 13.627 0.421 -7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 492 16.441 -0.568 -7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 492 15.767 -0.487 -8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 492 15.682 1.837 -6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 492 16.969 1.612 -8.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 15.504 3.019 -9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 15.065 1.506 -9.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 14.121 2.224 -8.562 1.00 0.00 H new ATOM 1065 N MET A 493 11.779 0.305 -4.725 1.00 0.00 N ATOM 1066 CA MET A 493 10.398 0.758 -4.851 1.00 0.00 C ATOM 1067 C MET A 493 10.230 2.159 -4.272 1.00 0.00 C ATOM 1068 O MET A 493 9.850 3.092 -4.980 1.00 0.00 O ATOM 1069 CB MET A 493 9.454 -0.216 -4.143 1.00 0.00 C ATOM 1070 CG MET A 493 7.988 0.010 -4.475 1.00 0.00 C ATOM 1071 SD MET A 493 7.272 1.389 -3.560 1.00 0.00 S ATOM 1072 CE MET A 493 6.918 0.606 -1.989 1.00 0.00 C ATOM 0 H MET A 493 11.882 -0.630 -4.330 1.00 0.00 H new ATOM 0 HA MET A 493 10.147 0.791 -5.911 1.00 0.00 H new ATOM 0 HB2 MET A 493 9.727 -1.236 -4.415 1.00 0.00 H new ATOM 0 HB3 MET A 493 9.592 -0.125 -3.066 1.00 0.00 H new ATOM 0 HG2 MET A 493 7.886 0.197 -5.544 1.00 0.00 H new ATOM 0 HG3 MET A 493 7.426 -0.898 -4.255 1.00 0.00 H new ATOM 0 HE1 MET A 493 6.470 1.334 -1.313 1.00 0.00 H new ATOM 0 HE2 MET A 493 6.225 -0.221 -2.143 1.00 0.00 H new ATOM 0 HE3 MET A 493 7.843 0.228 -1.554 1.00 0.00 H new ATOM 1082 N LEU A 494 10.515 2.300 -2.982 1.00 0.00 N ATOM 1083 CA LEU A 494 10.395 3.588 -2.308 1.00 0.00 C ATOM 1084 C LEU A 494 10.912 4.717 -3.195 1.00 0.00 C ATOM 1085 O LEU A 494 10.279 5.765 -3.315 1.00 0.00 O ATOM 1086 CB LEU A 494 11.166 3.568 -0.987 1.00 0.00 C ATOM 1087 CG LEU A 494 10.602 2.659 0.105 1.00 0.00 C ATOM 1088 CD1 LEU A 494 11.547 2.605 1.296 1.00 0.00 C ATOM 1089 CD2 LEU A 494 9.224 3.137 0.538 1.00 0.00 C ATOM 0 H LEU A 494 10.831 1.538 -2.382 1.00 0.00 H new ATOM 0 HA LEU A 494 9.339 3.766 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 494 12.192 3.262 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 494 11.209 4.586 -0.599 1.00 0.00 H new ATOM 0 HG LEU A 494 10.505 1.653 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 494 11.129 1.953 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 494 12.513 2.215 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 494 11.677 3.608 1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 494 8.838 2.478 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 494 9.297 4.153 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 494 8.549 3.123 -0.317 1.00 0.00 H new