USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 557 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 604 THR OG1 : rot -72:sc= 0.0952 USER MOD Set 1.2: A 605 GLN : amide:sc= -2.26! K(o=-2.2!,f=-1) USER MOD Set 2.1: A 572 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.11) USER MOD Set 2.2: A 575 GLN : amide:sc=-0.00292 K(o=-1.1,f=-0.12) USER MOD Single : A 563 SER OG : rot 180:sc= 0 USER MOD Single : A 564 TYR OH : rot 180:sc= 0 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 GLN : amide:sc= -0.83 X(o=-0.83,f=-1.2) USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 1.01 (180deg=1.01) USER MOD Single : A 588 GLN : amide:sc= -0.172 K(o=-0.17,f=1.3) USER MOD Single : A 589 THR OG1 : rot 180:sc= 0 USER MOD Single : A 590 GLN : amide:sc= -1.14 K(o=-1.1,f=-6.1!) USER MOD Single : A 595 SER OG : rot -35:sc= 0.179 USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 599 GLN : amide:sc= -1.28 K(o=-1.3,f=-4.5!) USER MOD Single : A 601 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.17) USER MOD Single : A 603 GLN : amide:sc= -2.85! C(o=-2.9!,f=-2.4!) USER MOD Single : A 606 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0113) USER MOD Single : A 611 MET CE :methyl 156:sc= -1.11 (180deg=-2.27) USER MOD Single : A 616 GLN : amide:sc= -2.66! C(o=-2.7!,f=-5.5!) USER MOD Single : A 620 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ -122:sc= 0.268 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 198 N SER A 563 -23.030 0.889 -4.402 1.00 0.00 N ATOM 199 CA SER A 563 -23.167 1.135 -5.822 1.00 0.00 C ATOM 200 C SER A 563 -22.043 0.431 -6.575 1.00 0.00 C ATOM 201 O SER A 563 -21.114 -0.080 -5.945 1.00 0.00 O ATOM 202 CB SER A 563 -23.107 2.644 -6.069 1.00 0.00 C ATOM 203 OG SER A 563 -23.573 2.983 -7.363 1.00 0.00 O ATOM 0 HA SER A 563 -24.121 0.747 -6.179 1.00 0.00 H new ATOM 0 HB2 SER A 563 -23.708 3.159 -5.320 1.00 0.00 H new ATOM 0 HB3 SER A 563 -22.081 2.992 -5.949 1.00 0.00 H new ATOM 0 HG SER A 563 -23.522 3.954 -7.485 1.00 0.00 H new ATOM 209 N TYR A 564 -22.100 0.403 -7.902 1.00 0.00 N ATOM 210 CA TYR A 564 -21.079 -0.298 -8.673 1.00 0.00 C ATOM 211 C TYR A 564 -19.688 0.215 -8.320 1.00 0.00 C ATOM 212 O TYR A 564 -18.722 -0.551 -8.317 1.00 0.00 O ATOM 213 CB TYR A 564 -21.302 -0.170 -10.174 1.00 0.00 C ATOM 214 CG TYR A 564 -20.266 -0.930 -10.969 1.00 0.00 C ATOM 215 CD1 TYR A 564 -20.402 -2.292 -11.197 1.00 0.00 C ATOM 216 CD2 TYR A 564 -19.137 -0.290 -11.463 1.00 0.00 C ATOM 217 CE1 TYR A 564 -19.443 -2.996 -11.893 1.00 0.00 C ATOM 218 CE2 TYR A 564 -18.174 -0.986 -12.164 1.00 0.00 C ATOM 219 CZ TYR A 564 -18.332 -2.340 -12.377 1.00 0.00 C ATOM 220 OH TYR A 564 -17.376 -3.042 -13.072 1.00 0.00 O ATOM 0 H TYR A 564 -22.829 0.849 -8.459 1.00 0.00 H new ATOM 0 HA TYR A 564 -21.157 -1.353 -8.409 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -22.295 -0.541 -10.425 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -21.274 0.883 -10.456 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -21.273 -2.809 -10.823 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -19.011 0.769 -11.296 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -19.562 -4.057 -12.058 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -17.302 -0.474 -12.544 1.00 0.00 H new ATOM 0 HH TYR A 564 -16.658 -2.434 -13.346 1.00 0.00 H new ATOM 230 N LYS A 565 -19.603 1.512 -8.018 1.00 0.00 N ATOM 231 CA LYS A 565 -18.359 2.126 -7.560 1.00 0.00 C ATOM 232 C LYS A 565 -17.690 1.258 -6.513 1.00 0.00 C ATOM 233 O LYS A 565 -16.502 0.997 -6.574 1.00 0.00 O ATOM 234 CB LYS A 565 -18.615 3.485 -6.915 1.00 0.00 C ATOM 235 CG LYS A 565 -19.223 4.531 -7.819 1.00 0.00 C ATOM 236 CD LYS A 565 -19.430 5.835 -7.063 1.00 0.00 C ATOM 237 CE LYS A 565 -18.099 6.457 -6.655 1.00 0.00 C ATOM 238 NZ LYS A 565 -18.262 7.565 -5.676 1.00 0.00 N ATOM 0 H LYS A 565 -20.388 2.160 -8.084 1.00 0.00 H new ATOM 0 HA LYS A 565 -17.724 2.238 -8.439 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -19.274 3.343 -6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -17.670 3.868 -6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -18.573 4.701 -8.677 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -20.177 4.174 -8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -19.985 6.535 -7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -20.035 5.651 -6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -17.459 5.687 -6.224 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -17.591 6.833 -7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -17.328 7.953 -5.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -18.850 8.314 -6.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -18.722 7.204 -4.816 1.00 0.00 H new ATOM 252 N LEU A 566 -18.477 0.814 -5.559 1.00 0.00 N ATOM 253 CA LEU A 566 -17.972 0.046 -4.441 1.00 0.00 C ATOM 254 C LEU A 566 -17.899 -1.422 -4.796 1.00 0.00 C ATOM 255 O LEU A 566 -17.097 -2.168 -4.243 1.00 0.00 O ATOM 256 CB LEU A 566 -18.873 0.237 -3.234 1.00 0.00 C ATOM 257 CG LEU A 566 -18.699 1.547 -2.473 1.00 0.00 C ATOM 258 CD1 LEU A 566 -18.887 2.764 -3.372 1.00 0.00 C ATOM 259 CD2 LEU A 566 -19.684 1.587 -1.338 1.00 0.00 C ATOM 0 H LEU A 566 -19.484 0.974 -5.535 1.00 0.00 H new ATOM 0 HA LEU A 566 -16.969 0.399 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -19.909 0.166 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -18.701 -0.588 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 566 -17.679 1.586 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -18.754 3.673 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -18.152 2.739 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -19.890 2.750 -3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -19.567 2.521 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -20.698 1.523 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -19.502 0.746 -0.669 1.00 0.00 H new ATOM 271 N GLN A 567 -18.742 -1.824 -5.724 1.00 0.00 N ATOM 272 CA GLN A 567 -18.769 -3.197 -6.178 1.00 0.00 C ATOM 273 C GLN A 567 -17.441 -3.574 -6.817 1.00 0.00 C ATOM 274 O GLN A 567 -16.843 -4.581 -6.457 1.00 0.00 O ATOM 275 CB GLN A 567 -19.928 -3.400 -7.148 1.00 0.00 C ATOM 276 CG GLN A 567 -21.282 -3.352 -6.459 1.00 0.00 C ATOM 277 CD GLN A 567 -22.447 -3.355 -7.426 1.00 0.00 C ATOM 278 OE1 GLN A 567 -22.357 -3.895 -8.529 1.00 0.00 O ATOM 279 NE2 GLN A 567 -23.550 -2.754 -7.014 1.00 0.00 N ATOM 0 H GLN A 567 -19.421 -1.215 -6.180 1.00 0.00 H new ATOM 0 HA GLN A 567 -18.921 -3.853 -5.321 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -19.890 -2.631 -7.920 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -19.813 -4.361 -7.649 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -21.372 -4.208 -5.790 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -21.335 -2.457 -5.840 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -23.580 -2.319 -6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -24.371 -2.725 -7.618 1.00 0.00 H new ATOM 288 N ARG A 568 -16.959 -2.747 -7.736 1.00 0.00 N ATOM 289 CA ARG A 568 -15.670 -3.004 -8.359 1.00 0.00 C ATOM 290 C ARG A 568 -14.544 -2.519 -7.446 1.00 0.00 C ATOM 291 O ARG A 568 -13.404 -2.968 -7.551 1.00 0.00 O ATOM 292 CB ARG A 568 -15.594 -2.362 -9.756 1.00 0.00 C ATOM 293 CG ARG A 568 -14.934 -0.989 -9.828 1.00 0.00 C ATOM 294 CD ARG A 568 -15.807 0.078 -9.203 1.00 0.00 C ATOM 295 NE ARG A 568 -15.414 1.436 -9.581 1.00 0.00 N ATOM 296 CZ ARG A 568 -14.568 2.199 -8.882 1.00 0.00 C ATOM 297 NH1 ARG A 568 -13.941 1.714 -7.816 1.00 0.00 N ATOM 298 NH2 ARG A 568 -14.354 3.455 -9.250 1.00 0.00 N ATOM 0 H ARG A 568 -17.434 -1.905 -8.062 1.00 0.00 H new ATOM 0 HA ARG A 568 -15.552 -4.079 -8.498 1.00 0.00 H new ATOM 0 HB2 ARG A 568 -15.051 -3.039 -10.416 1.00 0.00 H new ATOM 0 HB3 ARG A 568 -16.607 -2.277 -10.150 1.00 0.00 H new ATOM 0 HG2 ARG A 568 -13.972 -1.019 -9.317 1.00 0.00 H new ATOM 0 HG3 ARG A 568 -14.734 -0.734 -10.869 1.00 0.00 H new ATOM 0 HD2 ARG A 568 -16.843 -0.090 -9.498 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -15.766 -0.017 -8.118 1.00 0.00 H new ATOM 0 HE ARG A 568 -15.812 1.826 -10.435 1.00 0.00 H new ATOM 0 HH11 ARG A 568 -14.103 0.750 -7.524 1.00 0.00 H new ATOM 0 HH12 ARG A 568 -13.297 2.305 -7.290 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -14.835 3.837 -10.065 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -13.709 4.039 -8.718 1.00 0.00 H new ATOM 312 N GLU A 569 -14.891 -1.606 -6.542 1.00 0.00 N ATOM 313 CA GLU A 569 -13.955 -1.096 -5.545 1.00 0.00 C ATOM 314 C GLU A 569 -13.491 -2.235 -4.648 1.00 0.00 C ATOM 315 O GLU A 569 -12.306 -2.541 -4.564 1.00 0.00 O ATOM 316 CB GLU A 569 -14.636 -0.016 -4.694 1.00 0.00 C ATOM 317 CG GLU A 569 -13.684 0.819 -3.864 1.00 0.00 C ATOM 318 CD GLU A 569 -12.920 1.817 -4.704 1.00 0.00 C ATOM 319 OE1 GLU A 569 -13.431 2.938 -4.915 1.00 0.00 O ATOM 320 OE2 GLU A 569 -11.815 1.485 -5.171 1.00 0.00 O ATOM 0 H GLU A 569 -15.825 -1.201 -6.480 1.00 0.00 H new ATOM 0 HA GLU A 569 -13.094 -0.662 -6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 569 -15.201 0.645 -5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 569 -15.355 -0.494 -4.029 1.00 0.00 H new ATOM 0 HG2 GLU A 569 -14.245 1.349 -3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 569 -12.980 0.163 -3.352 1.00 0.00 H new ATOM 327 N LEU A 570 -14.461 -2.885 -4.023 1.00 0.00 N ATOM 328 CA LEU A 570 -14.211 -3.943 -3.054 1.00 0.00 C ATOM 329 C LEU A 570 -13.577 -5.167 -3.716 1.00 0.00 C ATOM 330 O LEU A 570 -12.995 -6.014 -3.048 1.00 0.00 O ATOM 331 CB LEU A 570 -15.534 -4.322 -2.391 1.00 0.00 C ATOM 332 CG LEU A 570 -15.478 -4.566 -0.883 1.00 0.00 C ATOM 333 CD1 LEU A 570 -16.878 -4.759 -0.339 1.00 0.00 C ATOM 334 CD2 LEU A 570 -14.619 -5.770 -0.542 1.00 0.00 C ATOM 0 H LEU A 570 -15.451 -2.692 -4.175 1.00 0.00 H new ATOM 0 HA LEU A 570 -13.508 -3.580 -2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.256 -3.529 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -15.914 -5.223 -2.872 1.00 0.00 H new ATOM 0 HG LEU A 570 -15.023 -3.690 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -16.830 -4.932 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -17.471 -3.866 -0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -17.342 -5.618 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -14.603 -5.911 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -15.033 -6.659 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -13.603 -5.606 -0.901 1.00 0.00 H new ATOM 346 N GLU A 571 -13.705 -5.264 -5.024 1.00 0.00 N ATOM 347 CA GLU A 571 -13.117 -6.375 -5.755 1.00 0.00 C ATOM 348 C GLU A 571 -11.615 -6.194 -5.927 1.00 0.00 C ATOM 349 O GLU A 571 -10.832 -7.093 -5.618 1.00 0.00 O ATOM 350 CB GLU A 571 -13.789 -6.539 -7.115 1.00 0.00 C ATOM 351 CG GLU A 571 -15.225 -7.030 -7.025 1.00 0.00 C ATOM 352 CD GLU A 571 -15.362 -8.275 -6.170 1.00 0.00 C ATOM 353 OE1 GLU A 571 -14.965 -9.364 -6.635 1.00 0.00 O ATOM 354 OE2 GLU A 571 -15.859 -8.172 -5.028 1.00 0.00 O ATOM 0 H GLU A 571 -14.208 -4.592 -5.603 1.00 0.00 H new ATOM 0 HA GLU A 571 -13.282 -7.280 -5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -13.772 -5.583 -7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -13.210 -7.241 -7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -15.851 -6.239 -6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -15.597 -7.239 -8.028 1.00 0.00 H new ATOM 361 N GLN A 572 -11.210 -5.029 -6.401 1.00 0.00 N ATOM 362 CA GLN A 572 -9.806 -4.786 -6.697 1.00 0.00 C ATOM 363 C GLN A 572 -9.054 -4.265 -5.472 1.00 0.00 C ATOM 364 O GLN A 572 -7.824 -4.245 -5.455 1.00 0.00 O ATOM 365 CB GLN A 572 -9.677 -3.793 -7.855 1.00 0.00 C ATOM 366 CG GLN A 572 -10.315 -4.284 -9.148 1.00 0.00 C ATOM 367 CD GLN A 572 -9.681 -5.560 -9.669 1.00 0.00 C ATOM 368 OE1 GLN A 572 -10.345 -6.385 -10.295 1.00 0.00 O ATOM 369 NE2 GLN A 572 -8.390 -5.727 -9.430 1.00 0.00 N ATOM 0 H GLN A 572 -11.828 -4.240 -6.589 1.00 0.00 H new ATOM 0 HA GLN A 572 -9.357 -5.737 -6.984 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -10.139 -2.849 -7.567 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -8.621 -3.590 -8.034 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -11.379 -4.454 -8.981 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -10.232 -3.506 -9.907 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -7.873 -5.020 -8.907 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -7.912 -6.562 -9.769 1.00 0.00 H new ATOM 378 N LEU A 573 -9.796 -3.857 -4.454 1.00 0.00 N ATOM 379 CA LEU A 573 -9.207 -3.268 -3.250 1.00 0.00 C ATOM 380 C LEU A 573 -8.329 -4.285 -2.499 1.00 0.00 C ATOM 381 O LEU A 573 -7.206 -3.957 -2.139 1.00 0.00 O ATOM 382 CB LEU A 573 -10.318 -2.737 -2.336 1.00 0.00 C ATOM 383 CG LEU A 573 -9.982 -1.486 -1.517 1.00 0.00 C ATOM 384 CD1 LEU A 573 -11.192 -1.060 -0.708 1.00 0.00 C ATOM 385 CD2 LEU A 573 -8.787 -1.713 -0.608 1.00 0.00 C ATOM 0 H LEU A 573 -10.814 -3.921 -4.433 1.00 0.00 H new ATOM 0 HA LEU A 573 -8.565 -2.441 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 573 -11.192 -2.520 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 573 -10.603 -3.531 -1.646 1.00 0.00 H new ATOM 0 HG LEU A 573 -9.714 -0.690 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 573 -10.947 -0.170 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 573 -12.020 -0.838 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 573 -11.480 -1.866 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 573 -8.581 -0.803 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 573 -9.005 -2.527 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 573 -7.916 -1.972 -1.210 1.00 0.00 H new ATOM 397 N PRO A 574 -8.802 -5.528 -2.239 1.00 0.00 N ATOM 398 CA PRO A 574 -7.975 -6.554 -1.587 1.00 0.00 C ATOM 399 C PRO A 574 -6.712 -6.856 -2.385 1.00 0.00 C ATOM 400 O PRO A 574 -5.649 -7.117 -1.814 1.00 0.00 O ATOM 401 CB PRO A 574 -8.886 -7.785 -1.533 1.00 0.00 C ATOM 402 CG PRO A 574 -10.264 -7.240 -1.636 1.00 0.00 C ATOM 403 CD PRO A 574 -10.157 -6.030 -2.515 1.00 0.00 C ATOM 0 HA PRO A 574 -7.629 -6.234 -0.604 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -8.670 -8.473 -2.350 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -8.748 -8.339 -0.605 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -10.945 -7.976 -2.064 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -10.655 -6.977 -0.653 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -10.285 -6.285 -3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -10.918 -5.288 -2.272 1.00 0.00 H new ATOM 411 N GLN A 575 -6.824 -6.795 -3.709 1.00 0.00 N ATOM 412 CA GLN A 575 -5.676 -7.009 -4.579 1.00 0.00 C ATOM 413 C GLN A 575 -4.751 -5.802 -4.530 1.00 0.00 C ATOM 414 O GLN A 575 -3.561 -5.895 -4.820 1.00 0.00 O ATOM 415 CB GLN A 575 -6.125 -7.274 -6.013 1.00 0.00 C ATOM 416 CG GLN A 575 -7.001 -8.508 -6.144 1.00 0.00 C ATOM 417 CD GLN A 575 -7.325 -8.847 -7.582 1.00 0.00 C ATOM 418 OE1 GLN A 575 -8.310 -8.366 -8.140 1.00 0.00 O ATOM 419 NE2 GLN A 575 -6.509 -9.692 -8.184 1.00 0.00 N ATOM 0 H GLN A 575 -7.696 -6.600 -4.200 1.00 0.00 H new ATOM 0 HA GLN A 575 -5.133 -7.885 -4.224 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -6.672 -6.407 -6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -5.246 -7.391 -6.647 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -6.498 -9.356 -5.680 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -7.929 -8.349 -5.595 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -5.703 -10.067 -7.684 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -6.684 -9.970 -9.150 1.00 0.00 H new ATOM 428 N LEU A 576 -5.314 -4.669 -4.159 1.00 0.00 N ATOM 429 CA LEU A 576 -4.543 -3.462 -3.944 1.00 0.00 C ATOM 430 C LEU A 576 -3.866 -3.506 -2.576 1.00 0.00 C ATOM 431 O LEU A 576 -2.749 -3.028 -2.412 1.00 0.00 O ATOM 432 CB LEU A 576 -5.449 -2.238 -4.060 1.00 0.00 C ATOM 433 CG LEU A 576 -4.852 -0.939 -3.537 1.00 0.00 C ATOM 434 CD1 LEU A 576 -3.721 -0.461 -4.436 1.00 0.00 C ATOM 435 CD2 LEU A 576 -5.925 0.129 -3.398 1.00 0.00 C ATOM 0 H LEU A 576 -6.315 -4.560 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 576 -3.768 -3.393 -4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 576 -5.715 -2.101 -5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 576 -6.374 -2.438 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 576 -4.436 -1.131 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -3.311 0.469 -4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -2.938 -1.218 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -4.103 -0.291 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -5.476 1.049 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -6.379 0.317 -4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -6.690 -0.212 -2.701 1.00 0.00 H new ATOM 447 N LEU A 577 -4.546 -4.088 -1.597 1.00 0.00 N ATOM 448 CA LEU A 577 -3.962 -4.286 -0.278 1.00 0.00 C ATOM 449 C LEU A 577 -2.747 -5.184 -0.359 1.00 0.00 C ATOM 450 O LEU A 577 -1.694 -4.858 0.178 1.00 0.00 O ATOM 451 CB LEU A 577 -4.976 -4.881 0.701 1.00 0.00 C ATOM 452 CG LEU A 577 -5.790 -3.874 1.518 1.00 0.00 C ATOM 453 CD1 LEU A 577 -5.462 -2.432 1.138 1.00 0.00 C ATOM 454 CD2 LEU A 577 -7.278 -4.150 1.379 1.00 0.00 C ATOM 0 H LEU A 577 -5.502 -4.431 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.660 -3.306 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.669 -5.508 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -4.444 -5.534 1.392 1.00 0.00 H new ATOM 0 HG LEU A 577 -5.511 -4.000 2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.062 -1.751 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -4.404 -2.240 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -5.685 -2.274 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -7.839 -3.424 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -7.567 -4.069 0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -7.497 -5.155 1.739 1.00 0.00 H new ATOM 466 N GLU A 578 -2.884 -6.310 -1.034 1.00 0.00 N ATOM 467 CA GLU A 578 -1.753 -7.205 -1.206 1.00 0.00 C ATOM 468 C GLU A 578 -0.677 -6.517 -2.043 1.00 0.00 C ATOM 469 O GLU A 578 0.511 -6.760 -1.859 1.00 0.00 O ATOM 470 CB GLU A 578 -2.172 -8.525 -1.859 1.00 0.00 C ATOM 471 CG GLU A 578 -2.627 -8.391 -3.299 1.00 0.00 C ATOM 472 CD GLU A 578 -2.970 -9.723 -3.926 1.00 0.00 C ATOM 473 OE1 GLU A 578 -2.051 -10.392 -4.447 1.00 0.00 O ATOM 474 OE2 GLU A 578 -4.156 -10.112 -3.898 1.00 0.00 O ATOM 0 H GLU A 578 -3.753 -6.624 -1.467 1.00 0.00 H new ATOM 0 HA GLU A 578 -1.353 -7.441 -0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -1.333 -9.220 -1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -2.979 -8.966 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -3.499 -7.738 -3.342 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -1.841 -7.911 -3.882 1.00 0.00 H new ATOM 481 N ASP A 579 -1.114 -5.637 -2.943 1.00 0.00 N ATOM 482 CA ASP A 579 -0.204 -4.854 -3.774 1.00 0.00 C ATOM 483 C ASP A 579 0.661 -3.969 -2.905 1.00 0.00 C ATOM 484 O ASP A 579 1.876 -3.960 -3.031 1.00 0.00 O ATOM 485 CB ASP A 579 -0.979 -3.949 -4.729 1.00 0.00 C ATOM 486 CG ASP A 579 -0.195 -3.608 -5.985 1.00 0.00 C ATOM 487 OD1 ASP A 579 -0.156 -4.441 -6.916 1.00 0.00 O ATOM 488 OD2 ASP A 579 0.378 -2.495 -6.053 1.00 0.00 O ATOM 0 H ASP A 579 -2.102 -5.448 -3.115 1.00 0.00 H new ATOM 0 HA ASP A 579 0.407 -5.556 -4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -1.911 -4.439 -5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -1.247 -3.027 -4.212 1.00 0.00 H new ATOM 493 N LEU A 580 0.004 -3.224 -2.027 1.00 0.00 N ATOM 494 CA LEU A 580 0.666 -2.256 -1.164 1.00 0.00 C ATOM 495 C LEU A 580 1.458 -2.944 -0.066 1.00 0.00 C ATOM 496 O LEU A 580 2.512 -2.467 0.346 1.00 0.00 O ATOM 497 CB LEU A 580 -0.374 -1.329 -0.547 1.00 0.00 C ATOM 498 CG LEU A 580 -1.246 -0.596 -1.559 1.00 0.00 C ATOM 499 CD1 LEU A 580 -2.355 0.157 -0.853 1.00 0.00 C ATOM 500 CD2 LEU A 580 -0.398 0.342 -2.405 1.00 0.00 C ATOM 0 H LEU A 580 -1.006 -3.274 -1.893 1.00 0.00 H new ATOM 0 HA LEU A 580 1.364 -1.679 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 580 -1.017 -1.912 0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 580 0.136 -0.593 0.074 1.00 0.00 H new ATOM 0 HG LEU A 580 -1.706 -1.328 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 580 -2.969 0.675 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 580 -2.974 -0.546 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 580 -1.921 0.884 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 580 -1.034 0.859 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 580 0.090 1.073 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 580 0.359 -0.233 -2.938 1.00 0.00 H new ATOM 512 N GLU A 581 0.942 -4.064 0.404 1.00 0.00 N ATOM 513 CA GLU A 581 1.618 -4.842 1.420 1.00 0.00 C ATOM 514 C GLU A 581 2.896 -5.425 0.843 1.00 0.00 C ATOM 515 O GLU A 581 3.978 -5.274 1.413 1.00 0.00 O ATOM 516 CB GLU A 581 0.717 -5.962 1.912 1.00 0.00 C ATOM 517 CG GLU A 581 1.216 -6.609 3.184 1.00 0.00 C ATOM 518 CD GLU A 581 0.368 -7.786 3.600 1.00 0.00 C ATOM 519 OE1 GLU A 581 0.518 -8.871 3.007 1.00 0.00 O ATOM 520 OE2 GLU A 581 -0.465 -7.632 4.518 1.00 0.00 O ATOM 0 H GLU A 581 0.052 -4.455 0.095 1.00 0.00 H new ATOM 0 HA GLU A 581 1.861 -4.194 2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -0.285 -5.567 2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 581 0.633 -6.721 1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 581 2.245 -6.938 3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 581 1.226 -5.870 3.985 1.00 0.00 H new ATOM 527 N ALA A 582 2.759 -6.066 -0.313 1.00 0.00 N ATOM 528 CA ALA A 582 3.904 -6.618 -1.025 1.00 0.00 C ATOM 529 C ALA A 582 4.809 -5.496 -1.504 1.00 0.00 C ATOM 530 O ALA A 582 6.007 -5.687 -1.704 1.00 0.00 O ATOM 531 CB ALA A 582 3.449 -7.467 -2.201 1.00 0.00 C ATOM 0 H ALA A 582 1.863 -6.216 -0.777 1.00 0.00 H new ATOM 0 HA ALA A 582 4.463 -7.256 -0.340 1.00 0.00 H new ATOM 0 HB1 ALA A 582 4.320 -7.869 -2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 582 2.831 -8.289 -1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 582 2.869 -6.853 -2.890 1.00 0.00 H new ATOM 537 N LYS A 583 4.218 -4.321 -1.682 1.00 0.00 N ATOM 538 CA LYS A 583 4.959 -3.139 -2.078 1.00 0.00 C ATOM 539 C LYS A 583 5.858 -2.701 -0.932 1.00 0.00 C ATOM 540 O LYS A 583 7.045 -2.452 -1.122 1.00 0.00 O ATOM 541 CB LYS A 583 4.005 -2.005 -2.471 1.00 0.00 C ATOM 542 CG LYS A 583 4.728 -0.737 -2.869 1.00 0.00 C ATOM 543 CD LYS A 583 3.774 0.370 -3.268 1.00 0.00 C ATOM 544 CE LYS A 583 4.522 1.683 -3.369 1.00 0.00 C ATOM 545 NZ LYS A 583 3.761 2.733 -4.088 1.00 0.00 N ATOM 0 H LYS A 583 3.218 -4.165 -1.556 1.00 0.00 H new ATOM 0 HA LYS A 583 5.571 -3.379 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 583 3.379 -2.335 -3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 583 3.340 -1.790 -1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 583 5.346 -0.398 -2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 583 5.400 -0.951 -3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 583 3.307 0.133 -4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 583 2.973 0.453 -2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 583 4.759 2.037 -2.366 1.00 0.00 H new ATOM 0 HE3 LYS A 583 5.470 1.516 -3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 4.324 3.607 -4.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 3.557 2.412 -5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 2.868 2.918 -3.589 1.00 0.00 H new ATOM 559 N LEU A 584 5.282 -2.633 0.261 1.00 0.00 N ATOM 560 CA LEU A 584 6.038 -2.314 1.454 1.00 0.00 C ATOM 561 C LEU A 584 7.136 -3.355 1.648 1.00 0.00 C ATOM 562 O LEU A 584 8.297 -3.007 1.843 1.00 0.00 O ATOM 563 CB LEU A 584 5.095 -2.255 2.670 1.00 0.00 C ATOM 564 CG LEU A 584 5.726 -1.836 4.005 1.00 0.00 C ATOM 565 CD1 LEU A 584 6.424 -3.010 4.670 1.00 0.00 C ATOM 566 CD2 LEU A 584 6.695 -0.685 3.799 1.00 0.00 C ATOM 0 H LEU A 584 4.288 -2.796 0.423 1.00 0.00 H new ATOM 0 HA LEU A 584 6.507 -1.336 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 584 4.287 -1.560 2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 584 4.643 -3.238 2.800 1.00 0.00 H new ATOM 0 HG LEU A 584 4.927 -1.501 4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 584 6.862 -2.686 5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 584 5.701 -3.803 4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 584 7.210 -3.385 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 584 7.132 -0.402 4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 584 7.486 -0.993 3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 584 6.163 0.167 3.377 1.00 0.00 H new ATOM 578 N GLU A 585 6.764 -4.629 1.566 1.00 0.00 N ATOM 579 CA GLU A 585 7.729 -5.722 1.673 1.00 0.00 C ATOM 580 C GLU A 585 8.868 -5.568 0.659 1.00 0.00 C ATOM 581 O GLU A 585 10.027 -5.845 0.965 1.00 0.00 O ATOM 582 CB GLU A 585 7.028 -7.062 1.454 1.00 0.00 C ATOM 583 CG GLU A 585 6.030 -7.417 2.544 1.00 0.00 C ATOM 584 CD GLU A 585 6.673 -7.515 3.911 1.00 0.00 C ATOM 585 OE1 GLU A 585 7.519 -8.410 4.111 1.00 0.00 O ATOM 586 OE2 GLU A 585 6.346 -6.691 4.790 1.00 0.00 O ATOM 0 H GLU A 585 5.800 -4.932 1.426 1.00 0.00 H new ATOM 0 HA GLU A 585 8.158 -5.689 2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 585 6.511 -7.039 0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 585 7.780 -7.849 1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 585 5.242 -6.664 2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 585 5.555 -8.367 2.301 1.00 0.00 H new ATOM 593 N ALA A 586 8.530 -5.108 -0.540 1.00 0.00 N ATOM 594 CA ALA A 586 9.505 -4.966 -1.614 1.00 0.00 C ATOM 595 C ALA A 586 10.419 -3.768 -1.390 1.00 0.00 C ATOM 596 O ALA A 586 11.592 -3.792 -1.758 1.00 0.00 O ATOM 597 CB ALA A 586 8.797 -4.834 -2.950 1.00 0.00 C ATOM 0 H ALA A 586 7.583 -4.826 -0.793 1.00 0.00 H new ATOM 0 HA ALA A 586 10.124 -5.863 -1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 586 9.536 -4.729 -3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 586 8.194 -5.723 -3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 586 8.152 -3.955 -2.935 1.00 0.00 H new ATOM 603 N LEU A 587 9.872 -2.719 -0.797 1.00 0.00 N ATOM 604 CA LEU A 587 10.635 -1.506 -0.533 1.00 0.00 C ATOM 605 C LEU A 587 11.460 -1.654 0.740 1.00 0.00 C ATOM 606 O LEU A 587 12.602 -1.201 0.810 1.00 0.00 O ATOM 607 CB LEU A 587 9.687 -0.314 -0.414 1.00 0.00 C ATOM 608 CG LEU A 587 8.877 -0.013 -1.675 1.00 0.00 C ATOM 609 CD1 LEU A 587 7.715 0.905 -1.352 1.00 0.00 C ATOM 610 CD2 LEU A 587 9.759 0.617 -2.738 1.00 0.00 C ATOM 0 H LEU A 587 8.901 -2.682 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 587 11.320 -1.336 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 587 8.997 -0.497 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 587 10.268 0.570 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 587 8.484 -0.954 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 587 7.149 1.109 -2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 587 7.065 0.426 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 587 8.094 1.841 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 587 9.165 0.824 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 587 10.179 1.548 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 587 10.568 -0.068 -2.993 1.00 0.00 H new ATOM 622 N GLN A 588 10.884 -2.332 1.725 1.00 0.00 N ATOM 623 CA GLN A 588 11.516 -2.509 3.026 1.00 0.00 C ATOM 624 C GLN A 588 12.802 -3.302 2.907 1.00 0.00 C ATOM 625 O GLN A 588 13.732 -3.089 3.670 1.00 0.00 O ATOM 626 CB GLN A 588 10.563 -3.220 3.989 1.00 0.00 C ATOM 627 CG GLN A 588 9.792 -2.278 4.897 1.00 0.00 C ATOM 628 CD GLN A 588 10.607 -1.835 6.095 1.00 0.00 C ATOM 629 OE1 GLN A 588 11.314 -0.831 6.053 1.00 0.00 O ATOM 630 NE2 GLN A 588 10.513 -2.592 7.176 1.00 0.00 N ATOM 0 H GLN A 588 9.968 -2.774 1.645 1.00 0.00 H new ATOM 0 HA GLN A 588 11.754 -1.519 3.417 1.00 0.00 H new ATOM 0 HB2 GLN A 588 9.854 -3.814 3.412 1.00 0.00 H new ATOM 0 HB3 GLN A 588 11.135 -3.915 4.604 1.00 0.00 H new ATOM 0 HG2 GLN A 588 9.482 -1.402 4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 588 8.884 -2.772 5.242 1.00 0.00 H new ATOM 0 HE21 GLN A 588 9.914 -3.418 7.170 1.00 0.00 H new ATOM 0 HE22 GLN A 588 11.039 -2.350 8.016 1.00 0.00 H new ATOM 639 N THR A 589 12.852 -4.207 1.943 1.00 0.00 N ATOM 640 CA THR A 589 14.015 -5.059 1.777 1.00 0.00 C ATOM 641 C THR A 589 15.149 -4.298 1.088 1.00 0.00 C ATOM 642 O THR A 589 16.321 -4.626 1.259 1.00 0.00 O ATOM 643 CB THR A 589 13.657 -6.340 0.991 1.00 0.00 C ATOM 644 OG1 THR A 589 14.682 -7.330 1.149 1.00 0.00 O ATOM 645 CG2 THR A 589 13.462 -6.046 -0.489 1.00 0.00 C ATOM 0 H THR A 589 12.105 -4.369 1.268 1.00 0.00 H new ATOM 0 HA THR A 589 14.357 -5.359 2.768 1.00 0.00 H new ATOM 0 HB THR A 589 12.719 -6.720 1.396 1.00 0.00 H new ATOM 0 HG1 THR A 589 14.439 -8.135 0.646 1.00 0.00 H new ATOM 0 HG21 THR A 589 13.211 -6.968 -1.013 1.00 0.00 H new ATOM 0 HG22 THR A 589 12.653 -5.326 -0.613 1.00 0.00 H new ATOM 0 HG23 THR A 589 14.382 -5.633 -0.902 1.00 0.00 H new ATOM 653 N GLN A 590 14.798 -3.266 0.330 1.00 0.00 N ATOM 654 CA GLN A 590 15.801 -2.387 -0.257 1.00 0.00 C ATOM 655 C GLN A 590 16.436 -1.578 0.853 1.00 0.00 C ATOM 656 O GLN A 590 17.652 -1.525 1.004 1.00 0.00 O ATOM 657 CB GLN A 590 15.167 -1.432 -1.269 1.00 0.00 C ATOM 658 CG GLN A 590 14.354 -2.118 -2.352 1.00 0.00 C ATOM 659 CD GLN A 590 15.196 -2.967 -3.291 1.00 0.00 C ATOM 660 OE1 GLN A 590 16.222 -3.526 -2.903 1.00 0.00 O ATOM 661 NE2 GLN A 590 14.767 -3.069 -4.538 1.00 0.00 N ATOM 0 H GLN A 590 13.834 -3.019 0.109 1.00 0.00 H new ATOM 0 HA GLN A 590 16.545 -2.993 -0.774 1.00 0.00 H new ATOM 0 HB2 GLN A 590 14.523 -0.732 -0.736 1.00 0.00 H new ATOM 0 HB3 GLN A 590 15.955 -0.845 -1.740 1.00 0.00 H new ATOM 0 HG2 GLN A 590 13.597 -2.748 -1.884 1.00 0.00 H new ATOM 0 HG3 GLN A 590 13.825 -1.362 -2.933 1.00 0.00 H new ATOM 0 HE21 GLN A 590 13.912 -2.592 -4.824 1.00 0.00 H new ATOM 0 HE22 GLN A 590 15.291 -3.625 -5.214 1.00 0.00 H new ATOM 670 N VAL A 591 15.565 -0.988 1.653 1.00 0.00 N ATOM 671 CA VAL A 591 15.950 -0.145 2.770 1.00 0.00 C ATOM 672 C VAL A 591 16.554 -0.988 3.897 1.00 0.00 C ATOM 673 O VAL A 591 17.199 -0.471 4.809 1.00 0.00 O ATOM 674 CB VAL A 591 14.703 0.618 3.268 1.00 0.00 C ATOM 675 CG1 VAL A 591 15.053 1.675 4.299 1.00 0.00 C ATOM 676 CG2 VAL A 591 13.976 1.241 2.085 1.00 0.00 C ATOM 0 H VAL A 591 14.555 -1.083 1.543 1.00 0.00 H new ATOM 0 HA VAL A 591 16.709 0.568 2.447 1.00 0.00 H new ATOM 0 HB VAL A 591 14.046 -0.099 3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 591 14.145 2.185 4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 591 15.526 1.202 5.159 1.00 0.00 H new ATOM 0 HG13 VAL A 591 15.740 2.399 3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 591 13.097 1.778 2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 591 14.643 1.934 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 591 13.667 0.457 1.394 1.00 0.00 H new ATOM 686 N ALA A 592 16.340 -2.299 3.819 1.00 0.00 N ATOM 687 CA ALA A 592 16.916 -3.236 4.776 1.00 0.00 C ATOM 688 C ALA A 592 18.400 -3.432 4.512 1.00 0.00 C ATOM 689 O ALA A 592 19.153 -3.841 5.397 1.00 0.00 O ATOM 690 CB ALA A 592 16.198 -4.577 4.718 1.00 0.00 C ATOM 0 H ALA A 592 15.768 -2.737 3.097 1.00 0.00 H new ATOM 0 HA ALA A 592 16.790 -2.814 5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 592 16.645 -5.260 5.440 1.00 0.00 H new ATOM 0 HB2 ALA A 592 15.144 -4.436 4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 592 16.291 -4.996 3.716 1.00 0.00 H new ATOM 696 N ASP A 593 18.812 -3.136 3.288 1.00 0.00 N ATOM 697 CA ASP A 593 20.197 -3.308 2.878 1.00 0.00 C ATOM 698 C ASP A 593 20.996 -2.047 3.188 1.00 0.00 C ATOM 699 O ASP A 593 20.557 -0.934 2.900 1.00 0.00 O ATOM 700 CB ASP A 593 20.262 -3.618 1.381 1.00 0.00 C ATOM 701 CG ASP A 593 21.631 -4.098 0.945 1.00 0.00 C ATOM 702 OD1 ASP A 593 22.577 -3.293 0.935 1.00 0.00 O ATOM 703 OD2 ASP A 593 21.769 -5.299 0.619 1.00 0.00 O ATOM 0 H ASP A 593 18.201 -2.773 2.557 1.00 0.00 H new ATOM 0 HA ASP A 593 20.630 -4.141 3.431 1.00 0.00 H new ATOM 0 HB2 ASP A 593 19.520 -4.379 1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 593 19.998 -2.724 0.817 1.00 0.00 H new ATOM 708 N ALA A 594 22.173 -2.229 3.775 1.00 0.00 N ATOM 709 CA ALA A 594 23.013 -1.109 4.187 1.00 0.00 C ATOM 710 C ALA A 594 23.551 -0.334 2.987 1.00 0.00 C ATOM 711 O ALA A 594 23.945 0.825 3.113 1.00 0.00 O ATOM 712 CB ALA A 594 24.163 -1.605 5.048 1.00 0.00 C ATOM 0 H ALA A 594 22.570 -3.147 3.978 1.00 0.00 H new ATOM 0 HA ALA A 594 22.393 -0.428 4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 594 24.783 -0.760 5.349 1.00 0.00 H new ATOM 0 HB2 ALA A 594 23.767 -2.099 5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 594 24.766 -2.312 4.478 1.00 0.00 H new ATOM 718 N SER A 595 23.559 -0.968 1.823 1.00 0.00 N ATOM 719 CA SER A 595 24.057 -0.331 0.616 1.00 0.00 C ATOM 720 C SER A 595 22.964 0.533 -0.016 1.00 0.00 C ATOM 721 O SER A 595 23.213 1.268 -0.973 1.00 0.00 O ATOM 722 CB SER A 595 24.564 -1.389 -0.376 1.00 0.00 C ATOM 723 OG SER A 595 25.202 -0.797 -1.499 1.00 0.00 O ATOM 0 H SER A 595 23.226 -1.923 1.691 1.00 0.00 H new ATOM 0 HA SER A 595 24.894 0.316 0.878 1.00 0.00 H new ATOM 0 HB2 SER A 595 25.263 -2.056 0.129 1.00 0.00 H new ATOM 0 HB3 SER A 595 23.728 -2.001 -0.714 1.00 0.00 H new ATOM 0 HG SER A 595 24.754 0.045 -1.723 1.00 0.00 H new ATOM 729 N PHE A 596 21.750 0.450 0.526 1.00 0.00 N ATOM 730 CA PHE A 596 20.645 1.275 0.048 1.00 0.00 C ATOM 731 C PHE A 596 20.992 2.758 0.155 1.00 0.00 C ATOM 732 O PHE A 596 20.905 3.498 -0.821 1.00 0.00 O ATOM 733 CB PHE A 596 19.367 0.978 0.839 1.00 0.00 C ATOM 734 CG PHE A 596 18.246 1.931 0.550 1.00 0.00 C ATOM 735 CD1 PHE A 596 17.597 1.907 -0.671 1.00 0.00 C ATOM 736 CD2 PHE A 596 17.849 2.856 1.501 1.00 0.00 C ATOM 737 CE1 PHE A 596 16.571 2.789 -0.938 1.00 0.00 C ATOM 738 CE2 PHE A 596 16.823 3.737 1.241 1.00 0.00 C ATOM 739 CZ PHE A 596 16.183 3.706 0.020 1.00 0.00 C ATOM 0 H PHE A 596 21.509 -0.178 1.293 1.00 0.00 H new ATOM 0 HA PHE A 596 20.473 1.032 -1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 596 19.038 -0.036 0.613 1.00 0.00 H new ATOM 0 HB3 PHE A 596 19.594 1.010 1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 596 17.896 1.191 -1.422 1.00 0.00 H new ATOM 0 HD2 PHE A 596 18.350 2.887 2.457 1.00 0.00 H new ATOM 0 HE1 PHE A 596 16.071 2.763 -1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.520 4.451 1.992 1.00 0.00 H new ATOM 0 HZ PHE A 596 15.380 4.397 -0.187 1.00 0.00 H new ATOM 749 N PHE A 597 21.416 3.176 1.338 1.00 0.00 N ATOM 750 CA PHE A 597 21.736 4.580 1.589 1.00 0.00 C ATOM 751 C PHE A 597 23.071 4.979 0.956 1.00 0.00 C ATOM 752 O PHE A 597 23.567 6.086 1.177 1.00 0.00 O ATOM 753 CB PHE A 597 21.774 4.853 3.091 1.00 0.00 C ATOM 754 CG PHE A 597 20.475 4.569 3.795 1.00 0.00 C ATOM 755 CD1 PHE A 597 19.476 5.527 3.846 1.00 0.00 C ATOM 756 CD2 PHE A 597 20.256 3.344 4.410 1.00 0.00 C ATOM 757 CE1 PHE A 597 18.282 5.270 4.491 1.00 0.00 C ATOM 758 CE2 PHE A 597 19.064 3.082 5.057 1.00 0.00 C ATOM 759 CZ PHE A 597 18.076 4.046 5.098 1.00 0.00 C ATOM 0 H PHE A 597 21.548 2.564 2.143 1.00 0.00 H new ATOM 0 HA PHE A 597 20.952 5.182 1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 597 22.560 4.246 3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 597 22.044 5.896 3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 597 19.633 6.487 3.376 1.00 0.00 H new ATOM 0 HD2 PHE A 597 21.026 2.587 4.382 1.00 0.00 H new ATOM 0 HE1 PHE A 597 17.510 6.025 4.521 1.00 0.00 H new ATOM 0 HE2 PHE A 597 18.905 2.124 5.530 1.00 0.00 H new ATOM 0 HZ PHE A 597 17.144 3.843 5.604 1.00 0.00 H new ATOM 769 N SER A 598 23.655 4.074 0.180 1.00 0.00 N ATOM 770 CA SER A 598 24.865 4.377 -0.567 1.00 0.00 C ATOM 771 C SER A 598 24.477 4.982 -1.915 1.00 0.00 C ATOM 772 O SER A 598 25.285 5.614 -2.598 1.00 0.00 O ATOM 773 CB SER A 598 25.697 3.103 -0.759 1.00 0.00 C ATOM 774 OG SER A 598 27.001 3.391 -1.236 1.00 0.00 O ATOM 0 H SER A 598 23.308 3.123 0.053 1.00 0.00 H new ATOM 0 HA SER A 598 25.472 5.095 -0.016 1.00 0.00 H new ATOM 0 HB2 SER A 598 25.767 2.568 0.188 1.00 0.00 H new ATOM 0 HB3 SER A 598 25.191 2.441 -1.462 1.00 0.00 H new ATOM 0 HG SER A 598 27.502 2.556 -1.345 1.00 0.00 H new ATOM 780 N GLN A 599 23.212 4.793 -2.268 1.00 0.00 N ATOM 781 CA GLN A 599 22.653 5.322 -3.496 1.00 0.00 C ATOM 782 C GLN A 599 22.294 6.797 -3.320 1.00 0.00 C ATOM 783 O GLN A 599 22.284 7.307 -2.198 1.00 0.00 O ATOM 784 CB GLN A 599 21.422 4.499 -3.877 1.00 0.00 C ATOM 785 CG GLN A 599 21.752 3.098 -4.362 1.00 0.00 C ATOM 786 CD GLN A 599 22.573 3.095 -5.639 1.00 0.00 C ATOM 787 OE1 GLN A 599 22.467 4.003 -6.463 1.00 0.00 O ATOM 788 NE2 GLN A 599 23.405 2.082 -5.804 1.00 0.00 N ATOM 0 H GLN A 599 22.545 4.265 -1.705 1.00 0.00 H new ATOM 0 HA GLN A 599 23.388 5.252 -4.298 1.00 0.00 H new ATOM 0 HB2 GLN A 599 20.761 4.429 -3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 599 20.872 5.024 -4.658 1.00 0.00 H new ATOM 0 HG2 GLN A 599 22.299 2.568 -3.582 1.00 0.00 H new ATOM 0 HG3 GLN A 599 20.825 2.549 -4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 599 23.463 1.349 -5.097 1.00 0.00 H new ATOM 0 HE22 GLN A 599 23.989 2.033 -6.638 1.00 0.00 H new ATOM 797 N PRO A 600 22.005 7.507 -4.423 1.00 0.00 N ATOM 798 CA PRO A 600 21.753 8.951 -4.400 1.00 0.00 C ATOM 799 C PRO A 600 20.438 9.323 -3.724 1.00 0.00 C ATOM 800 O PRO A 600 19.491 8.536 -3.712 1.00 0.00 O ATOM 801 CB PRO A 600 21.696 9.337 -5.886 1.00 0.00 C ATOM 802 CG PRO A 600 22.255 8.165 -6.617 1.00 0.00 C ATOM 803 CD PRO A 600 21.908 6.973 -5.786 1.00 0.00 C ATOM 0 HA PRO A 600 22.523 9.469 -3.829 1.00 0.00 H new ATOM 0 HB2 PRO A 600 20.673 9.545 -6.200 1.00 0.00 H new ATOM 0 HB3 PRO A 600 22.279 10.237 -6.081 1.00 0.00 H new ATOM 0 HG2 PRO A 600 21.827 8.085 -7.616 1.00 0.00 H new ATOM 0 HG3 PRO A 600 23.334 8.257 -6.739 1.00 0.00 H new ATOM 0 HD2 PRO A 600 20.908 6.600 -6.007 1.00 0.00 H new ATOM 0 HD3 PRO A 600 22.600 6.147 -5.950 1.00 0.00 H new ATOM 811 N HIS A 601 20.410 10.535 -3.175 1.00 0.00 N ATOM 812 CA HIS A 601 19.207 11.142 -2.594 1.00 0.00 C ATOM 813 C HIS A 601 17.997 10.913 -3.486 1.00 0.00 C ATOM 814 O HIS A 601 16.911 10.586 -3.012 1.00 0.00 O ATOM 815 CB HIS A 601 19.456 12.650 -2.443 1.00 0.00 C ATOM 816 CG HIS A 601 18.298 13.455 -1.924 1.00 0.00 C ATOM 817 ND1 HIS A 601 18.259 13.979 -0.652 1.00 0.00 N ATOM 818 CD2 HIS A 601 17.167 13.881 -2.537 1.00 0.00 C ATOM 819 CE1 HIS A 601 17.156 14.689 -0.505 1.00 0.00 C ATOM 820 NE2 HIS A 601 16.474 14.648 -1.635 1.00 0.00 N ATOM 0 H HIS A 601 21.233 11.135 -3.119 1.00 0.00 H new ATOM 0 HA HIS A 601 19.003 10.685 -1.626 1.00 0.00 H new ATOM 0 HB2 HIS A 601 20.304 12.794 -1.773 1.00 0.00 H new ATOM 0 HB3 HIS A 601 19.746 13.050 -3.414 1.00 0.00 H new ATOM 0 HD2 HIS A 601 16.866 13.658 -3.550 1.00 0.00 H new ATOM 0 HE1 HIS A 601 16.861 15.216 0.390 1.00 0.00 H new ATOM 0 HE2 HIS A 601 15.581 15.110 -1.808 1.00 0.00 H new ATOM 829 N GLU A 602 18.211 11.096 -4.776 1.00 0.00 N ATOM 830 CA GLU A 602 17.167 10.964 -5.776 1.00 0.00 C ATOM 831 C GLU A 602 16.466 9.612 -5.688 1.00 0.00 C ATOM 832 O GLU A 602 15.237 9.540 -5.704 1.00 0.00 O ATOM 833 CB GLU A 602 17.787 11.138 -7.155 1.00 0.00 C ATOM 834 CG GLU A 602 18.515 12.456 -7.311 1.00 0.00 C ATOM 835 CD GLU A 602 19.446 12.454 -8.497 1.00 0.00 C ATOM 836 OE1 GLU A 602 18.997 12.768 -9.617 1.00 0.00 O ATOM 837 OE2 GLU A 602 20.634 12.119 -8.317 1.00 0.00 O ATOM 0 H GLU A 602 19.122 11.343 -5.163 1.00 0.00 H new ATOM 0 HA GLU A 602 16.415 11.732 -5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 602 18.483 10.320 -7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 602 17.005 11.069 -7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 602 17.788 13.260 -7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 602 19.084 12.665 -6.405 1.00 0.00 H new ATOM 844 N GLN A 603 17.245 8.543 -5.593 1.00 0.00 N ATOM 845 CA GLN A 603 16.672 7.206 -5.571 1.00 0.00 C ATOM 846 C GLN A 603 16.260 6.822 -4.148 1.00 0.00 C ATOM 847 O GLN A 603 15.195 6.243 -3.943 1.00 0.00 O ATOM 848 CB GLN A 603 17.656 6.184 -6.176 1.00 0.00 C ATOM 849 CG GLN A 603 18.607 5.517 -5.192 1.00 0.00 C ATOM 850 CD GLN A 603 18.016 4.278 -4.539 1.00 0.00 C ATOM 851 OE1 GLN A 603 18.346 3.942 -3.403 1.00 0.00 O ATOM 852 NE2 GLN A 603 17.146 3.588 -5.255 1.00 0.00 N ATOM 0 H GLN A 603 18.263 8.575 -5.531 1.00 0.00 H new ATOM 0 HA GLN A 603 15.773 7.200 -6.187 1.00 0.00 H new ATOM 0 HB2 GLN A 603 17.080 5.407 -6.679 1.00 0.00 H new ATOM 0 HB3 GLN A 603 18.248 6.687 -6.940 1.00 0.00 H new ATOM 0 HG2 GLN A 603 19.525 5.244 -5.712 1.00 0.00 H new ATOM 0 HG3 GLN A 603 18.880 6.233 -4.417 1.00 0.00 H new ATOM 0 HE21 GLN A 603 16.898 3.899 -6.194 1.00 0.00 H new ATOM 0 HE22 GLN A 603 16.723 2.744 -4.869 1.00 0.00 H new ATOM 861 N THR A 604 17.094 7.163 -3.167 1.00 0.00 N ATOM 862 CA THR A 604 16.832 6.780 -1.782 1.00 0.00 C ATOM 863 C THR A 604 15.556 7.416 -1.258 1.00 0.00 C ATOM 864 O THR A 604 14.708 6.733 -0.690 1.00 0.00 O ATOM 865 CB THR A 604 17.988 7.152 -0.837 1.00 0.00 C ATOM 866 OG1 THR A 604 18.368 8.521 -1.031 1.00 0.00 O ATOM 867 CG2 THR A 604 19.189 6.240 -1.047 1.00 0.00 C ATOM 0 H THR A 604 17.950 7.700 -3.304 1.00 0.00 H new ATOM 0 HA THR A 604 16.726 5.695 -1.795 1.00 0.00 H new ATOM 0 HB THR A 604 17.639 7.020 0.187 1.00 0.00 H new ATOM 0 HG1 THR A 604 18.836 8.612 -1.887 1.00 0.00 H new ATOM 0 HG21 THR A 604 19.989 6.528 -0.365 1.00 0.00 H new ATOM 0 HG22 THR A 604 18.900 5.207 -0.852 1.00 0.00 H new ATOM 0 HG23 THR A 604 19.539 6.330 -2.075 1.00 0.00 H new ATOM 875 N GLN A 605 15.413 8.720 -1.457 1.00 0.00 N ATOM 876 CA GLN A 605 14.240 9.425 -0.971 1.00 0.00 C ATOM 877 C GLN A 605 13.001 8.950 -1.704 1.00 0.00 C ATOM 878 O GLN A 605 11.929 8.857 -1.121 1.00 0.00 O ATOM 879 CB GLN A 605 14.395 10.936 -1.118 1.00 0.00 C ATOM 880 CG GLN A 605 15.516 11.528 -0.281 1.00 0.00 C ATOM 881 CD GLN A 605 15.615 10.921 1.106 1.00 0.00 C ATOM 882 OE1 GLN A 605 14.953 11.363 2.045 1.00 0.00 O ATOM 883 NE2 GLN A 605 16.466 9.917 1.249 1.00 0.00 N ATOM 0 H GLN A 605 16.090 9.305 -1.948 1.00 0.00 H new ATOM 0 HA GLN A 605 14.133 9.203 0.091 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.576 11.172 -2.167 1.00 0.00 H new ATOM 0 HB3 GLN A 605 13.456 11.416 -0.840 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.463 11.384 -0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.363 12.603 -0.189 1.00 0.00 H new ATOM 0 HE21 GLN A 605 16.996 9.580 0.446 1.00 0.00 H new ATOM 0 HE22 GLN A 605 16.591 9.481 2.163 1.00 0.00 H new ATOM 892 N LYS A 606 13.167 8.637 -2.983 1.00 0.00 N ATOM 893 CA LYS A 606 12.108 8.033 -3.768 1.00 0.00 C ATOM 894 C LYS A 606 11.616 6.775 -3.062 1.00 0.00 C ATOM 895 O LYS A 606 10.429 6.636 -2.774 1.00 0.00 O ATOM 896 CB LYS A 606 12.639 7.696 -5.171 1.00 0.00 C ATOM 897 CG LYS A 606 11.579 7.299 -6.186 1.00 0.00 C ATOM 898 CD LYS A 606 11.109 5.868 -5.994 1.00 0.00 C ATOM 899 CE LYS A 606 10.239 5.405 -7.147 1.00 0.00 C ATOM 900 NZ LYS A 606 9.007 6.224 -7.296 1.00 0.00 N ATOM 0 H LYS A 606 14.033 8.795 -3.498 1.00 0.00 H new ATOM 0 HA LYS A 606 11.275 8.728 -3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 606 13.181 8.561 -5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 606 13.359 6.882 -5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 606 10.727 7.974 -6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 606 11.980 7.416 -7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 606 11.973 5.210 -5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 606 10.550 5.790 -5.062 1.00 0.00 H new ATOM 0 HE2 LYS A 606 10.814 5.448 -8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 606 9.962 4.362 -6.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 8.423 5.836 -8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 8.467 6.204 -6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 9.268 7.205 -7.521 1.00 0.00 H new ATOM 914 N VAL A 607 12.550 5.882 -2.759 1.00 0.00 N ATOM 915 CA VAL A 607 12.228 4.612 -2.117 1.00 0.00 C ATOM 916 C VAL A 607 11.697 4.818 -0.700 1.00 0.00 C ATOM 917 O VAL A 607 10.667 4.266 -0.336 1.00 0.00 O ATOM 918 CB VAL A 607 13.453 3.678 -2.067 1.00 0.00 C ATOM 919 CG1 VAL A 607 13.096 2.357 -1.398 1.00 0.00 C ATOM 920 CG2 VAL A 607 14.000 3.434 -3.464 1.00 0.00 C ATOM 0 H VAL A 607 13.543 6.015 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 607 11.450 4.147 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 607 14.227 4.166 -1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 607 13.975 1.713 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 607 12.755 2.545 -0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 607 12.302 1.867 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 607 14.864 2.772 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 607 13.230 2.971 -4.081 1.00 0.00 H new ATOM 0 HG23 VAL A 607 14.299 4.383 -3.909 1.00 0.00 H new ATOM 930 N LEU A 608 12.405 5.618 0.091 1.00 0.00 N ATOM 931 CA LEU A 608 12.018 5.878 1.480 1.00 0.00 C ATOM 932 C LEU A 608 10.617 6.475 1.564 1.00 0.00 C ATOM 933 O LEU A 608 9.784 6.023 2.356 1.00 0.00 O ATOM 934 CB LEU A 608 13.020 6.826 2.142 1.00 0.00 C ATOM 935 CG LEU A 608 14.413 6.247 2.377 1.00 0.00 C ATOM 936 CD1 LEU A 608 15.341 7.310 2.929 1.00 0.00 C ATOM 937 CD2 LEU A 608 14.347 5.067 3.331 1.00 0.00 C ATOM 0 H LEU A 608 13.254 6.101 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 608 12.017 4.924 2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 608 13.115 7.717 1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 608 12.612 7.147 3.100 1.00 0.00 H new ATOM 0 HG LEU A 608 14.805 5.900 1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 608 16.330 6.881 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 608 15.414 8.133 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 608 14.947 7.681 3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 608 15.349 4.668 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 608 13.935 5.394 4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 608 13.709 4.291 2.907 1.00 0.00 H new ATOM 949 N ALA A 609 10.364 7.482 0.741 1.00 0.00 N ATOM 950 CA ALA A 609 9.073 8.151 0.719 1.00 0.00 C ATOM 951 C ALA A 609 7.988 7.215 0.202 1.00 0.00 C ATOM 952 O ALA A 609 6.866 7.217 0.704 1.00 0.00 O ATOM 953 CB ALA A 609 9.149 9.413 -0.130 1.00 0.00 C ATOM 0 H ALA A 609 11.041 7.855 0.076 1.00 0.00 H new ATOM 0 HA ALA A 609 8.812 8.435 1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 609 8.176 9.905 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 609 9.894 10.089 0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 609 9.431 9.149 -1.149 1.00 0.00 H new ATOM 959 N ASP A 610 8.336 6.400 -0.791 1.00 0.00 N ATOM 960 CA ASP A 610 7.392 5.452 -1.371 1.00 0.00 C ATOM 961 C ASP A 610 7.122 4.306 -0.400 1.00 0.00 C ATOM 962 O ASP A 610 6.017 3.773 -0.345 1.00 0.00 O ATOM 963 CB ASP A 610 7.926 4.917 -2.698 1.00 0.00 C ATOM 964 CG ASP A 610 6.901 4.102 -3.460 1.00 0.00 C ATOM 965 OD1 ASP A 610 5.813 4.643 -3.773 1.00 0.00 O ATOM 966 OD2 ASP A 610 7.179 2.927 -3.765 1.00 0.00 O ATOM 0 H ASP A 610 9.266 6.378 -1.210 1.00 0.00 H new ATOM 0 HA ASP A 610 6.451 5.969 -1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 610 8.251 5.753 -3.317 1.00 0.00 H new ATOM 0 HB3 ASP A 610 8.805 4.301 -2.508 1.00 0.00 H new ATOM 971 N MET A 611 8.141 3.944 0.368 1.00 0.00 N ATOM 972 CA MET A 611 8.004 2.940 1.416 1.00 0.00 C ATOM 973 C MET A 611 6.989 3.394 2.453 1.00 0.00 C ATOM 974 O MET A 611 6.101 2.635 2.846 1.00 0.00 O ATOM 975 CB MET A 611 9.360 2.668 2.082 1.00 0.00 C ATOM 976 CG MET A 611 9.258 1.833 3.343 1.00 0.00 C ATOM 977 SD MET A 611 10.869 1.471 4.063 1.00 0.00 S ATOM 978 CE MET A 611 11.429 3.114 4.495 1.00 0.00 C ATOM 0 H MET A 611 9.080 4.334 0.284 1.00 0.00 H new ATOM 0 HA MET A 611 7.650 2.014 0.962 1.00 0.00 H new ATOM 0 HB2 MET A 611 10.010 2.159 1.370 1.00 0.00 H new ATOM 0 HB3 MET A 611 9.835 3.619 2.323 1.00 0.00 H new ATOM 0 HG2 MET A 611 8.646 2.360 4.075 1.00 0.00 H new ATOM 0 HG3 MET A 611 8.747 0.898 3.115 1.00 0.00 H new ATOM 0 HE1 MET A 611 12.164 3.049 5.297 1.00 0.00 H new ATOM 0 HE2 MET A 611 11.884 3.584 3.623 1.00 0.00 H new ATOM 0 HE3 MET A 611 10.581 3.712 4.828 1.00 0.00 H new ATOM 988 N ALA A 612 7.114 4.643 2.877 1.00 0.00 N ATOM 989 CA ALA A 612 6.189 5.210 3.840 1.00 0.00 C ATOM 990 C ALA A 612 4.809 5.365 3.214 1.00 0.00 C ATOM 991 O ALA A 612 3.787 5.179 3.873 1.00 0.00 O ATOM 992 CB ALA A 612 6.703 6.549 4.351 1.00 0.00 C ATOM 0 H ALA A 612 7.848 5.281 2.568 1.00 0.00 H new ATOM 0 HA ALA A 612 6.109 4.532 4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 612 5.996 6.959 5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 612 7.671 6.408 4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 612 6.811 7.240 3.515 1.00 0.00 H new ATOM 998 N ALA A 613 4.790 5.689 1.928 1.00 0.00 N ATOM 999 CA ALA A 613 3.544 5.816 1.187 1.00 0.00 C ATOM 1000 C ALA A 613 2.834 4.472 1.081 1.00 0.00 C ATOM 1001 O ALA A 613 1.609 4.407 1.100 1.00 0.00 O ATOM 1002 CB ALA A 613 3.808 6.385 -0.196 1.00 0.00 C ATOM 0 H ALA A 613 5.628 5.869 1.375 1.00 0.00 H new ATOM 0 HA ALA A 613 2.894 6.502 1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 613 2.867 6.474 -0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 613 4.268 7.369 -0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 613 4.479 5.721 -0.741 1.00 0.00 H new ATOM 1008 N ALA A 614 3.613 3.406 0.979 1.00 0.00 N ATOM 1009 CA ALA A 614 3.067 2.064 0.860 1.00 0.00 C ATOM 1010 C ALA A 614 2.344 1.647 2.129 1.00 0.00 C ATOM 1011 O ALA A 614 1.194 1.217 2.081 1.00 0.00 O ATOM 1012 CB ALA A 614 4.171 1.075 0.528 1.00 0.00 C ATOM 0 H ALA A 614 4.632 3.446 0.976 1.00 0.00 H new ATOM 0 HA ALA A 614 2.339 2.067 0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 614 3.749 0.074 0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.638 1.355 -0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 614 4.920 1.086 1.320 1.00 0.00 H new ATOM 1018 N GLU A 615 3.015 1.788 3.266 1.00 0.00 N ATOM 1019 CA GLU A 615 2.434 1.391 4.540 1.00 0.00 C ATOM 1020 C GLU A 615 1.223 2.249 4.883 1.00 0.00 C ATOM 1021 O GLU A 615 0.212 1.738 5.371 1.00 0.00 O ATOM 1022 CB GLU A 615 3.476 1.469 5.662 1.00 0.00 C ATOM 1023 CG GLU A 615 4.138 2.830 5.797 1.00 0.00 C ATOM 1024 CD GLU A 615 5.005 2.941 7.031 1.00 0.00 C ATOM 1025 OE1 GLU A 615 4.448 3.047 8.144 1.00 0.00 O ATOM 1026 OE2 GLU A 615 6.247 2.947 6.896 1.00 0.00 O ATOM 0 H GLU A 615 3.958 2.173 3.331 1.00 0.00 H new ATOM 0 HA GLU A 615 2.103 0.357 4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 615 2.997 1.214 6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 615 4.246 0.718 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 615 4.746 3.022 4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 615 3.369 3.601 5.829 1.00 0.00 H new ATOM 1033 N GLN A 616 1.319 3.547 4.615 1.00 0.00 N ATOM 1034 CA GLN A 616 0.228 4.455 4.926 1.00 0.00 C ATOM 1035 C GLN A 616 -0.959 4.210 3.995 1.00 0.00 C ATOM 1036 O GLN A 616 -2.108 4.254 4.425 1.00 0.00 O ATOM 1037 CB GLN A 616 0.682 5.920 4.866 1.00 0.00 C ATOM 1038 CG GLN A 616 0.923 6.460 3.467 1.00 0.00 C ATOM 1039 CD GLN A 616 1.426 7.891 3.466 1.00 0.00 C ATOM 1040 OE1 GLN A 616 2.148 8.308 2.560 1.00 0.00 O ATOM 1041 NE2 GLN A 616 1.059 8.657 4.484 1.00 0.00 N ATOM 0 H GLN A 616 2.133 3.988 4.187 1.00 0.00 H new ATOM 0 HA GLN A 616 -0.092 4.254 5.948 1.00 0.00 H new ATOM 0 HB2 GLN A 616 -0.072 6.539 5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 616 1.601 6.024 5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 616 1.648 5.825 2.958 1.00 0.00 H new ATOM 0 HG3 GLN A 616 -0.005 6.406 2.897 1.00 0.00 H new ATOM 0 HE21 GLN A 616 0.460 8.278 5.217 1.00 0.00 H new ATOM 0 HE22 GLN A 616 1.376 9.625 4.534 1.00 0.00 H new ATOM 1050 N GLU A 617 -0.683 3.924 2.725 1.00 0.00 N ATOM 1051 CA GLU A 617 -1.745 3.636 1.774 1.00 0.00 C ATOM 1052 C GLU A 617 -2.413 2.318 2.129 1.00 0.00 C ATOM 1053 O GLU A 617 -3.630 2.188 2.049 1.00 0.00 O ATOM 1054 CB GLU A 617 -1.207 3.558 0.344 1.00 0.00 C ATOM 1055 CG GLU A 617 -2.302 3.455 -0.707 1.00 0.00 C ATOM 1056 CD GLU A 617 -2.918 4.798 -1.042 1.00 0.00 C ATOM 1057 OE1 GLU A 617 -2.345 5.521 -1.885 1.00 0.00 O ATOM 1058 OE2 GLU A 617 -3.971 5.142 -0.465 1.00 0.00 O ATOM 0 H GLU A 617 0.259 3.886 2.336 1.00 0.00 H new ATOM 0 HA GLU A 617 -2.470 4.449 1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 617 -0.602 4.442 0.142 1.00 0.00 H new ATOM 0 HB3 GLU A 617 -0.548 2.694 0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 617 -1.889 3.013 -1.614 1.00 0.00 H new ATOM 0 HG3 GLU A 617 -3.081 2.781 -0.350 1.00 0.00 H new ATOM 1065 N LEU A 618 -1.597 1.353 2.532 1.00 0.00 N ATOM 1066 CA LEU A 618 -2.079 0.025 2.883 1.00 0.00 C ATOM 1067 C LEU A 618 -3.177 0.101 3.938 1.00 0.00 C ATOM 1068 O LEU A 618 -4.265 -0.436 3.745 1.00 0.00 O ATOM 1069 CB LEU A 618 -0.915 -0.830 3.388 1.00 0.00 C ATOM 1070 CG LEU A 618 -1.265 -2.266 3.783 1.00 0.00 C ATOM 1071 CD1 LEU A 618 -1.967 -2.979 2.649 1.00 0.00 C ATOM 1072 CD2 LEU A 618 -0.011 -3.025 4.174 1.00 0.00 C ATOM 0 H LEU A 618 -0.588 1.468 2.624 1.00 0.00 H new ATOM 0 HA LEU A 618 -2.504 -0.436 1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 618 -0.150 -0.863 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 618 -0.472 -0.333 4.251 1.00 0.00 H new ATOM 0 HG LEU A 618 -1.939 -2.228 4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 618 -2.206 -3.998 2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 618 -2.887 -2.449 2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 618 -1.315 -3.004 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 618 -0.275 -4.045 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 618 0.679 -3.046 3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 618 0.465 -2.530 5.020 1.00 0.00 H new ATOM 1084 N GLU A 619 -2.902 0.793 5.033 1.00 0.00 N ATOM 1085 CA GLU A 619 -3.855 0.875 6.134 1.00 0.00 C ATOM 1086 C GLU A 619 -5.055 1.756 5.780 1.00 0.00 C ATOM 1087 O GLU A 619 -6.172 1.480 6.203 1.00 0.00 O ATOM 1088 CB GLU A 619 -3.170 1.386 7.399 1.00 0.00 C ATOM 1089 CG GLU A 619 -2.421 2.693 7.204 1.00 0.00 C ATOM 1090 CD GLU A 619 -1.793 3.196 8.485 1.00 0.00 C ATOM 1091 OE1 GLU A 619 -0.719 2.688 8.863 1.00 0.00 O ATOM 1092 OE2 GLU A 619 -2.369 4.101 9.124 1.00 0.00 O ATOM 0 H GLU A 619 -2.032 1.304 5.185 1.00 0.00 H new ATOM 0 HA GLU A 619 -4.230 -0.132 6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 619 -3.920 1.520 8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 619 -2.473 0.628 7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 619 -1.644 2.554 6.452 1.00 0.00 H new ATOM 0 HG3 GLU A 619 -3.107 3.447 6.818 1.00 0.00 H new ATOM 1099 N GLN A 620 -4.829 2.805 4.996 1.00 0.00 N ATOM 1100 CA GLN A 620 -5.917 3.688 4.572 1.00 0.00 C ATOM 1101 C GLN A 620 -6.866 2.961 3.631 1.00 0.00 C ATOM 1102 O GLN A 620 -8.088 3.103 3.726 1.00 0.00 O ATOM 1103 CB GLN A 620 -5.362 4.941 3.898 1.00 0.00 C ATOM 1104 CG GLN A 620 -4.673 5.881 4.870 1.00 0.00 C ATOM 1105 CD GLN A 620 -3.949 7.020 4.179 1.00 0.00 C ATOM 1106 OE1 GLN A 620 -4.343 7.471 3.104 1.00 0.00 O ATOM 1107 NE2 GLN A 620 -2.884 7.498 4.799 1.00 0.00 N ATOM 0 H GLN A 620 -3.909 3.066 4.641 1.00 0.00 H new ATOM 0 HA GLN A 620 -6.474 3.988 5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -4.655 4.647 3.122 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -6.176 5.471 3.403 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -5.413 6.292 5.557 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -3.960 5.316 5.470 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -2.589 7.097 5.689 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -2.357 8.268 4.387 1.00 0.00 H new ATOM 1116 N ALA A 621 -6.298 2.176 2.732 1.00 0.00 N ATOM 1117 CA ALA A 621 -7.087 1.360 1.828 1.00 0.00 C ATOM 1118 C ALA A 621 -7.728 0.210 2.593 1.00 0.00 C ATOM 1119 O ALA A 621 -8.812 -0.247 2.246 1.00 0.00 O ATOM 1120 CB ALA A 621 -6.227 0.841 0.688 1.00 0.00 C ATOM 0 H ALA A 621 -5.289 2.087 2.609 1.00 0.00 H new ATOM 0 HA ALA A 621 -7.878 1.974 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 621 -6.836 0.231 0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 621 -5.812 1.682 0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 621 -5.415 0.236 1.091 1.00 0.00 H new ATOM 1126 N PHE A 622 -7.053 -0.244 3.644 1.00 0.00 N ATOM 1127 CA PHE A 622 -7.599 -1.266 4.525 1.00 0.00 C ATOM 1128 C PHE A 622 -8.832 -0.736 5.252 1.00 0.00 C ATOM 1129 O PHE A 622 -9.842 -1.431 5.370 1.00 0.00 O ATOM 1130 CB PHE A 622 -6.545 -1.725 5.534 1.00 0.00 C ATOM 1131 CG PHE A 622 -6.111 -3.150 5.337 1.00 0.00 C ATOM 1132 CD1 PHE A 622 -6.944 -4.197 5.698 1.00 0.00 C ATOM 1133 CD2 PHE A 622 -4.870 -3.443 4.798 1.00 0.00 C ATOM 1134 CE1 PHE A 622 -6.545 -5.509 5.528 1.00 0.00 C ATOM 1135 CE2 PHE A 622 -4.466 -4.752 4.623 1.00 0.00 C ATOM 1136 CZ PHE A 622 -5.305 -5.786 4.990 1.00 0.00 C ATOM 0 H PHE A 622 -6.123 0.083 3.906 1.00 0.00 H new ATOM 0 HA PHE A 622 -7.892 -2.123 3.918 1.00 0.00 H new ATOM 0 HB2 PHE A 622 -5.674 -1.074 5.460 1.00 0.00 H new ATOM 0 HB3 PHE A 622 -6.944 -1.610 6.542 1.00 0.00 H new ATOM 0 HD1 PHE A 622 -7.917 -3.985 6.117 1.00 0.00 H new ATOM 0 HD2 PHE A 622 -4.210 -2.638 4.511 1.00 0.00 H new ATOM 0 HE1 PHE A 622 -7.202 -6.316 5.816 1.00 0.00 H new ATOM 0 HE2 PHE A 622 -3.496 -4.967 4.200 1.00 0.00 H new ATOM 0 HZ PHE A 622 -4.991 -6.811 4.856 1.00 0.00 H new ATOM 1146 N GLU A 623 -8.743 0.507 5.729 1.00 0.00 N ATOM 1147 CA GLU A 623 -9.883 1.181 6.341 1.00 0.00 C ATOM 1148 C GLU A 623 -11.033 1.267 5.346 1.00 0.00 C ATOM 1149 O GLU A 623 -12.185 0.986 5.682 1.00 0.00 O ATOM 1150 CB GLU A 623 -9.496 2.590 6.799 1.00 0.00 C ATOM 1151 CG GLU A 623 -8.526 2.620 7.968 1.00 0.00 C ATOM 1152 CD GLU A 623 -9.105 1.992 9.217 1.00 0.00 C ATOM 1153 OE1 GLU A 623 -10.094 2.531 9.753 1.00 0.00 O ATOM 1154 OE2 GLU A 623 -8.567 0.961 9.673 1.00 0.00 O ATOM 0 H GLU A 623 -7.890 1.066 5.702 1.00 0.00 H new ATOM 0 HA GLU A 623 -10.197 0.603 7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 623 -9.052 3.124 5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 623 -10.400 3.131 7.078 1.00 0.00 H new ATOM 0 HG2 GLU A 623 -7.612 2.095 7.691 1.00 0.00 H new ATOM 0 HG3 GLU A 623 -8.249 3.653 8.179 1.00 0.00 H new ATOM 1161 N ARG A 624 -10.699 1.644 4.117 1.00 0.00 N ATOM 1162 CA ARG A 624 -11.670 1.718 3.033 1.00 0.00 C ATOM 1163 C ARG A 624 -12.316 0.360 2.814 1.00 0.00 C ATOM 1164 O ARG A 624 -13.530 0.248 2.671 1.00 0.00 O ATOM 1165 CB ARG A 624 -10.972 2.168 1.749 1.00 0.00 C ATOM 1166 CG ARG A 624 -11.910 2.462 0.589 1.00 0.00 C ATOM 1167 CD ARG A 624 -12.914 3.545 0.941 1.00 0.00 C ATOM 1168 NE ARG A 624 -12.273 4.745 1.477 1.00 0.00 N ATOM 1169 CZ ARG A 624 -12.935 5.734 2.073 1.00 0.00 C ATOM 1170 NH1 ARG A 624 -14.266 5.742 2.073 1.00 0.00 N ATOM 1171 NH2 ARG A 624 -12.271 6.739 2.630 1.00 0.00 N ATOM 0 H ARG A 624 -9.751 1.906 3.845 1.00 0.00 H new ATOM 0 HA ARG A 624 -12.443 2.439 3.299 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -10.388 3.063 1.963 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.268 1.394 1.443 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.329 2.772 -0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.440 1.551 0.309 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.487 3.809 0.052 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.622 3.157 1.673 1.00 0.00 H new ATOM 0 HE ARG A 624 -11.260 4.829 1.389 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -14.781 4.989 1.616 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -14.771 6.501 2.530 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -11.252 6.754 2.602 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -12.780 7.496 3.086 1.00 0.00 H new ATOM 1185 N TRP A 625 -11.482 -0.666 2.805 1.00 0.00 N ATOM 1186 CA TRP A 625 -11.928 -2.020 2.564 1.00 0.00 C ATOM 1187 C TRP A 625 -12.877 -2.494 3.658 1.00 0.00 C ATOM 1188 O TRP A 625 -13.957 -3.012 3.375 1.00 0.00 O ATOM 1189 CB TRP A 625 -10.723 -2.955 2.454 1.00 0.00 C ATOM 1190 CG TRP A 625 -11.116 -4.393 2.390 1.00 0.00 C ATOM 1191 CD1 TRP A 625 -11.678 -5.043 1.332 1.00 0.00 C ATOM 1192 CD2 TRP A 625 -10.988 -5.352 3.437 1.00 0.00 C ATOM 1193 NE1 TRP A 625 -11.921 -6.354 1.667 1.00 0.00 N ATOM 1194 CE2 TRP A 625 -11.502 -6.567 2.955 1.00 0.00 C ATOM 1195 CE3 TRP A 625 -10.489 -5.298 4.736 1.00 0.00 C ATOM 1196 CZ2 TRP A 625 -11.537 -7.718 3.733 1.00 0.00 C ATOM 1197 CZ3 TRP A 625 -10.520 -6.439 5.508 1.00 0.00 C ATOM 1198 CH2 TRP A 625 -11.040 -7.636 5.005 1.00 0.00 C ATOM 0 H TRP A 625 -10.478 -0.580 2.965 1.00 0.00 H new ATOM 0 HA TRP A 625 -12.477 -2.036 1.622 1.00 0.00 H new ATOM 0 HB2 TRP A 625 -10.149 -2.699 1.563 1.00 0.00 H new ATOM 0 HB3 TRP A 625 -10.068 -2.799 3.311 1.00 0.00 H new ATOM 0 HD1 TRP A 625 -11.899 -4.595 0.374 1.00 0.00 H new ATOM 0 HE1 TRP A 625 -12.344 -7.054 1.057 1.00 0.00 H new ATOM 0 HE3 TRP A 625 -10.085 -4.378 5.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 625 -11.941 -8.642 3.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 625 -10.137 -6.408 6.517 1.00 0.00 H new ATOM 0 HH2 TRP A 625 -11.049 -8.514 5.634 1.00 0.00 H new ATOM 1209 N GLU A 626 -12.474 -2.306 4.904 1.00 0.00 N ATOM 1210 CA GLU A 626 -13.295 -2.694 6.040 1.00 0.00 C ATOM 1211 C GLU A 626 -14.601 -1.913 6.065 1.00 0.00 C ATOM 1212 O GLU A 626 -15.638 -2.441 6.461 1.00 0.00 O ATOM 1213 CB GLU A 626 -12.518 -2.490 7.332 1.00 0.00 C ATOM 1214 CG GLU A 626 -11.547 -3.616 7.620 1.00 0.00 C ATOM 1215 CD GLU A 626 -12.199 -4.749 8.388 1.00 0.00 C ATOM 1216 OE1 GLU A 626 -12.268 -4.659 9.634 1.00 0.00 O ATOM 1217 OE2 GLU A 626 -12.648 -5.729 7.760 1.00 0.00 O ATOM 0 H GLU A 626 -11.579 -1.885 5.155 1.00 0.00 H new ATOM 0 HA GLU A 626 -13.546 -3.750 5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -11.970 -1.550 7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -13.219 -2.401 8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -11.147 -3.998 6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -10.703 -3.229 8.192 1.00 0.00 H new ATOM 1224 N TYR A 627 -14.542 -0.658 5.639 1.00 0.00 N ATOM 1225 CA TYR A 627 -15.742 0.148 5.464 1.00 0.00 C ATOM 1226 C TYR A 627 -16.657 -0.485 4.421 1.00 0.00 C ATOM 1227 O TYR A 627 -17.865 -0.572 4.619 1.00 0.00 O ATOM 1228 CB TYR A 627 -15.361 1.585 5.072 1.00 0.00 C ATOM 1229 CG TYR A 627 -16.369 2.294 4.188 1.00 0.00 C ATOM 1230 CD1 TYR A 627 -17.651 2.601 4.638 1.00 0.00 C ATOM 1231 CD2 TYR A 627 -16.031 2.647 2.890 1.00 0.00 C ATOM 1232 CE1 TYR A 627 -18.561 3.236 3.811 1.00 0.00 C ATOM 1233 CE2 TYR A 627 -16.934 3.283 2.063 1.00 0.00 C ATOM 1234 CZ TYR A 627 -18.195 3.574 2.524 1.00 0.00 C ATOM 1235 OH TYR A 627 -19.094 4.200 1.693 1.00 0.00 O ATOM 0 H TYR A 627 -13.673 -0.176 5.408 1.00 0.00 H new ATOM 0 HA TYR A 627 -16.286 0.187 6.408 1.00 0.00 H new ATOM 0 HB2 TYR A 627 -15.222 2.170 5.981 1.00 0.00 H new ATOM 0 HB3 TYR A 627 -14.400 1.563 4.558 1.00 0.00 H new ATOM 0 HD1 TYR A 627 -17.939 2.340 5.646 1.00 0.00 H new ATOM 0 HD2 TYR A 627 -15.042 2.420 2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 627 -19.553 3.466 4.171 1.00 0.00 H new ATOM 0 HE2 TYR A 627 -16.650 3.551 1.056 1.00 0.00 H new ATOM 0 HH TYR A 627 -18.674 4.367 0.824 1.00 0.00 H new ATOM 1245 N LEU A 628 -16.072 -0.953 3.327 1.00 0.00 N ATOM 1246 CA LEU A 628 -16.842 -1.549 2.244 1.00 0.00 C ATOM 1247 C LEU A 628 -17.483 -2.864 2.675 1.00 0.00 C ATOM 1248 O LEU A 628 -18.681 -3.069 2.475 1.00 0.00 O ATOM 1249 CB LEU A 628 -15.960 -1.767 1.015 1.00 0.00 C ATOM 1250 CG LEU A 628 -15.428 -0.490 0.372 1.00 0.00 C ATOM 1251 CD1 LEU A 628 -14.691 -0.816 -0.910 1.00 0.00 C ATOM 1252 CD2 LEU A 628 -16.561 0.489 0.107 1.00 0.00 C ATOM 0 H LEU A 628 -15.065 -0.931 3.166 1.00 0.00 H new ATOM 0 HA LEU A 628 -17.641 -0.855 1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -15.114 -2.393 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -16.531 -2.321 0.270 1.00 0.00 H new ATOM 0 HG LEU A 628 -14.728 -0.019 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -14.317 0.104 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -13.854 -1.479 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -15.371 -1.308 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -16.161 1.393 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -17.287 0.032 -0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -17.048 0.745 1.048 1.00 0.00 H new ATOM 1264 N GLU A 629 -16.687 -3.746 3.271 1.00 0.00 N ATOM 1265 CA GLU A 629 -17.198 -5.022 3.767 1.00 0.00 C ATOM 1266 C GLU A 629 -18.308 -4.799 4.790 1.00 0.00 C ATOM 1267 O GLU A 629 -19.311 -5.518 4.802 1.00 0.00 O ATOM 1268 CB GLU A 629 -16.069 -5.849 4.384 1.00 0.00 C ATOM 1269 CG GLU A 629 -15.187 -6.543 3.359 1.00 0.00 C ATOM 1270 CD GLU A 629 -15.920 -7.633 2.602 1.00 0.00 C ATOM 1271 OE1 GLU A 629 -16.590 -7.333 1.595 1.00 0.00 O ATOM 1272 OE2 GLU A 629 -15.824 -8.808 3.014 1.00 0.00 O ATOM 0 H GLU A 629 -15.689 -3.603 3.423 1.00 0.00 H new ATOM 0 HA GLU A 629 -17.612 -5.572 2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 629 -15.450 -5.198 5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 629 -16.501 -6.600 5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 629 -14.809 -5.805 2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 629 -14.322 -6.974 3.862 1.00 0.00 H new ATOM 1279 N ALA A 630 -18.128 -3.790 5.633 1.00 0.00 N ATOM 1280 CA ALA A 630 -19.125 -3.439 6.635 1.00 0.00 C ATOM 1281 C ALA A 630 -20.368 -2.841 5.985 1.00 0.00 C ATOM 1282 O ALA A 630 -21.491 -3.185 6.349 1.00 0.00 O ATOM 1283 CB ALA A 630 -18.539 -2.465 7.644 1.00 0.00 C ATOM 0 H ALA A 630 -17.297 -3.198 5.642 1.00 0.00 H new ATOM 0 HA ALA A 630 -19.419 -4.351 7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.295 -2.212 8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -17.684 -2.925 8.139 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -18.217 -1.559 7.131 1.00 0.00 H new ATOM 1289 N LEU A 631 -20.158 -1.953 5.016 1.00 0.00 N ATOM 1290 CA LEU A 631 -21.262 -1.285 4.327 1.00 0.00 C ATOM 1291 C LEU A 631 -22.133 -2.295 3.601 1.00 0.00 C ATOM 1292 O LEU A 631 -23.357 -2.163 3.556 1.00 0.00 O ATOM 1293 CB LEU A 631 -20.742 -0.275 3.305 1.00 0.00 C ATOM 1294 CG LEU A 631 -21.764 0.780 2.876 1.00 0.00 C ATOM 1295 CD1 LEU A 631 -21.958 1.808 3.976 1.00 0.00 C ATOM 1296 CD2 LEU A 631 -21.336 1.447 1.584 1.00 0.00 C ATOM 0 H LEU A 631 -19.232 -1.678 4.689 1.00 0.00 H new ATOM 0 HA LEU A 631 -21.848 -0.767 5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -19.872 0.230 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -20.403 -0.814 2.421 1.00 0.00 H new ATOM 0 HG LEU A 631 -22.718 0.284 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -22.688 2.551 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -22.317 1.312 4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -21.008 2.300 4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -22.077 2.193 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -20.370 1.931 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -21.253 0.697 0.797 1.00 0.00 H new ATOM 1308 N LYS A 632 -21.490 -3.296 3.019 1.00 0.00 N ATOM 1309 CA LYS A 632 -22.192 -4.327 2.276 1.00 0.00 C ATOM 1310 C LYS A 632 -23.114 -5.107 3.209 1.00 0.00 C ATOM 1311 O LYS A 632 -24.239 -5.456 2.852 1.00 0.00 O ATOM 1312 CB LYS A 632 -21.195 -5.289 1.631 1.00 0.00 C ATOM 1313 CG LYS A 632 -21.795 -6.115 0.505 1.00 0.00 C ATOM 1314 CD LYS A 632 -20.924 -7.315 0.158 1.00 0.00 C ATOM 1315 CE LYS A 632 -19.516 -6.901 -0.235 1.00 0.00 C ATOM 1316 NZ LYS A 632 -18.662 -8.072 -0.567 1.00 0.00 N ATOM 0 H LYS A 632 -20.477 -3.415 3.048 1.00 0.00 H new ATOM 0 HA LYS A 632 -22.784 -3.848 1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 632 -20.350 -4.719 1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 632 -20.803 -5.960 2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 632 -22.788 -6.458 0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 632 -21.920 -5.489 -0.378 1.00 0.00 H new ATOM 0 HD2 LYS A 632 -20.878 -7.989 1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 632 -21.381 -7.870 -0.661 1.00 0.00 H new ATOM 0 HE2 LYS A 632 -19.562 -6.231 -1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 632 -19.061 -6.341 0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 -17.827 -8.079 0.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 -19.205 -8.948 -0.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 -18.356 -8.009 -1.559 1.00 0.00 H new