USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=11 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 Single : A 563 SER OG : rot 180:sc= 0 USER MOD Single : A 564 TYR OH : rot 180:sc= 0.317 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 GLN : amide:sc= -0.569 K(o=-0.57,f=-2.2) USER MOD Single : A 572 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 575 GLN : amide:sc= 1.15 K(o=1.1,f=-0.17) USER MOD Single : A 583 LYS NZ :NH3+ -128:sc= 1.29 (180deg=0.541) USER MOD Single : A 588 GLN : amide:sc= -3.4! K(o=-3.4!,f=-0.34) USER MOD Single : A 589 THR OG1 : rot 180:sc= 0 USER MOD Single : A 590 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.1) USER MOD Single : A 595 SER OG : rot -92:sc= 0.483 USER MOD Single : A 598 SER OG : rot -42:sc= 0.0775 USER MOD Single : A 599 GLN : amide:sc= -0.928 K(o=-0.93,f=-0.033) USER MOD Single : A 601 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-2.1!) USER MOD Single : A 603 GLN : amide:sc= -2.69! C(o=-2.7!,f=-4.9!) USER MOD Single : A 604 THR OG1 : rot -2:sc= -0.49 USER MOD Single : A 605 GLN : amide:sc= -1.71! K(o=-1.7!,f=0) USER MOD Single : A 606 LYS NZ :NH3+ 133:sc= -0.0866 (180deg=-0.581) USER MOD Single : A 611 MET CE :methyl -125:sc= -0.0667 (180deg=-1.43) USER MOD Single : A 616 GLN : amide:sc= -1.68! C(o=-1.7!,f=-4!) USER MOD Single : A 620 GLN : amide:sc= 1.16 K(o=1.2,f=-1) USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 198 N SER A 563 -23.414 0.667 -3.219 1.00 0.00 N ATOM 199 CA SER A 563 -23.550 1.139 -4.584 1.00 0.00 C ATOM 200 C SER A 563 -22.527 0.453 -5.490 1.00 0.00 C ATOM 201 O SER A 563 -21.527 -0.076 -4.999 1.00 0.00 O ATOM 202 CB SER A 563 -23.367 2.660 -4.625 1.00 0.00 C ATOM 203 OG SER A 563 -23.766 3.202 -5.873 1.00 0.00 O ATOM 0 HA SER A 563 -24.547 0.892 -4.948 1.00 0.00 H new ATOM 0 HB2 SER A 563 -23.950 3.118 -3.826 1.00 0.00 H new ATOM 0 HB3 SER A 563 -22.322 2.906 -4.439 1.00 0.00 H new ATOM 0 HG SER A 563 -23.638 4.174 -5.864 1.00 0.00 H new ATOM 209 N TYR A 564 -22.760 0.473 -6.795 1.00 0.00 N ATOM 210 CA TYR A 564 -21.880 -0.213 -7.739 1.00 0.00 C ATOM 211 C TYR A 564 -20.438 0.269 -7.595 1.00 0.00 C ATOM 212 O TYR A 564 -19.493 -0.510 -7.743 1.00 0.00 O ATOM 213 CB TYR A 564 -22.350 0.012 -9.172 1.00 0.00 C ATOM 214 CG TYR A 564 -21.550 -0.759 -10.197 1.00 0.00 C ATOM 215 CD1 TYR A 564 -21.802 -2.101 -10.427 1.00 0.00 C ATOM 216 CD2 TYR A 564 -20.539 -0.145 -10.926 1.00 0.00 C ATOM 217 CE1 TYR A 564 -21.072 -2.814 -11.354 1.00 0.00 C ATOM 218 CE2 TYR A 564 -19.804 -0.852 -11.859 1.00 0.00 C ATOM 219 CZ TYR A 564 -20.074 -2.185 -12.069 1.00 0.00 C ATOM 220 OH TYR A 564 -19.345 -2.894 -12.999 1.00 0.00 O ATOM 0 H TYR A 564 -23.549 0.955 -7.226 1.00 0.00 H new ATOM 0 HA TYR A 564 -21.919 -1.278 -7.511 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -23.399 -0.274 -9.251 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -22.292 1.076 -9.402 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -22.583 -2.597 -9.871 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -20.324 0.901 -10.761 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -21.281 -3.861 -11.520 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -19.022 -0.361 -12.420 1.00 0.00 H new ATOM 0 HH TYR A 564 -18.683 -2.303 -13.415 1.00 0.00 H new ATOM 230 N LYS A 565 -20.273 1.549 -7.285 1.00 0.00 N ATOM 231 CA LYS A 565 -18.942 2.119 -7.128 1.00 0.00 C ATOM 232 C LYS A 565 -18.183 1.478 -5.967 1.00 0.00 C ATOM 233 O LYS A 565 -16.957 1.421 -5.984 1.00 0.00 O ATOM 234 CB LYS A 565 -19.002 3.638 -6.967 1.00 0.00 C ATOM 235 CG LYS A 565 -20.151 4.130 -6.109 1.00 0.00 C ATOM 236 CD LYS A 565 -19.815 5.458 -5.457 1.00 0.00 C ATOM 237 CE LYS A 565 -19.672 6.572 -6.480 1.00 0.00 C ATOM 238 NZ LYS A 565 -19.327 7.867 -5.841 1.00 0.00 N ATOM 0 H LYS A 565 -21.038 2.207 -7.138 1.00 0.00 H new ATOM 0 HA LYS A 565 -18.391 1.898 -8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -18.065 3.983 -6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -19.080 4.093 -7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -21.046 4.238 -6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -20.378 3.391 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -20.596 5.719 -4.743 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -18.887 5.361 -4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -18.900 6.306 -7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -20.604 6.678 -7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -19.238 8.602 -6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -20.076 8.134 -5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -18.425 7.774 -5.332 1.00 0.00 H new ATOM 252 N LEU A 566 -18.906 0.973 -4.976 1.00 0.00 N ATOM 253 CA LEU A 566 -18.275 0.235 -3.887 1.00 0.00 C ATOM 254 C LEU A 566 -18.115 -1.208 -4.297 1.00 0.00 C ATOM 255 O LEU A 566 -17.166 -1.873 -3.899 1.00 0.00 O ATOM 256 CB LEU A 566 -19.085 0.280 -2.593 1.00 0.00 C ATOM 257 CG LEU A 566 -19.340 1.653 -1.991 1.00 0.00 C ATOM 258 CD1 LEU A 566 -20.446 2.360 -2.744 1.00 0.00 C ATOM 259 CD2 LEU A 566 -19.704 1.508 -0.531 1.00 0.00 C ATOM 0 H LEU A 566 -19.920 1.059 -4.902 1.00 0.00 H new ATOM 0 HA LEU A 566 -17.312 0.708 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -20.049 -0.194 -2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -18.570 -0.327 -1.848 1.00 0.00 H new ATOM 0 HG LEU A 566 -18.433 2.253 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -20.617 3.341 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -20.157 2.478 -3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -21.361 1.771 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -19.886 2.493 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -20.604 0.900 -0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -18.885 1.026 0.002 1.00 0.00 H new ATOM 271 N GLN A 567 -19.064 -1.685 -5.092 1.00 0.00 N ATOM 272 CA GLN A 567 -19.021 -3.039 -5.610 1.00 0.00 C ATOM 273 C GLN A 567 -17.701 -3.290 -6.326 1.00 0.00 C ATOM 274 O GLN A 567 -17.030 -4.277 -6.060 1.00 0.00 O ATOM 275 CB GLN A 567 -20.219 -3.303 -6.534 1.00 0.00 C ATOM 276 CG GLN A 567 -21.526 -3.475 -5.774 1.00 0.00 C ATOM 277 CD GLN A 567 -22.691 -3.860 -6.659 1.00 0.00 C ATOM 278 OE1 GLN A 567 -22.754 -3.486 -7.825 1.00 0.00 O ATOM 279 NE2 GLN A 567 -23.625 -4.618 -6.104 1.00 0.00 N ATOM 0 H GLN A 567 -19.877 -1.147 -5.392 1.00 0.00 H new ATOM 0 HA GLN A 567 -19.088 -3.736 -4.775 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -20.319 -2.475 -7.236 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -20.026 -4.200 -7.123 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -21.394 -4.239 -5.008 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -21.763 -2.544 -5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -23.535 -4.908 -5.130 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -24.434 -4.912 -6.651 1.00 0.00 H new ATOM 288 N ARG A 568 -17.318 -2.379 -7.209 1.00 0.00 N ATOM 289 CA ARG A 568 -16.055 -2.513 -7.925 1.00 0.00 C ATOM 290 C ARG A 568 -14.884 -1.977 -7.119 1.00 0.00 C ATOM 291 O ARG A 568 -13.738 -2.349 -7.370 1.00 0.00 O ATOM 292 CB ARG A 568 -16.125 -1.860 -9.302 1.00 0.00 C ATOM 293 CG ARG A 568 -16.554 -2.840 -10.374 1.00 0.00 C ATOM 294 CD ARG A 568 -17.834 -3.554 -9.969 1.00 0.00 C ATOM 295 NE ARG A 568 -18.223 -4.593 -10.922 1.00 0.00 N ATOM 296 CZ ARG A 568 -18.469 -5.861 -10.588 1.00 0.00 C ATOM 297 NH1 ARG A 568 -18.347 -6.259 -9.329 1.00 0.00 N ATOM 298 NH2 ARG A 568 -18.829 -6.735 -11.513 1.00 0.00 N ATOM 0 H ARG A 568 -17.857 -1.546 -7.446 1.00 0.00 H new ATOM 0 HA ARG A 568 -15.882 -3.579 -8.070 1.00 0.00 H new ATOM 0 HB2 ARG A 568 -16.826 -1.026 -9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 568 -15.149 -1.448 -9.558 1.00 0.00 H new ATOM 0 HG2 ARG A 568 -16.708 -2.312 -11.315 1.00 0.00 H new ATOM 0 HG3 ARG A 568 -15.763 -3.570 -10.544 1.00 0.00 H new ATOM 0 HD2 ARG A 568 -17.700 -4.001 -8.984 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -18.640 -2.826 -9.882 1.00 0.00 H new ATOM 0 HE ARG A 568 -18.312 -4.332 -11.904 1.00 0.00 H new ATOM 0 HH11 ARG A 568 -18.064 -5.594 -8.609 1.00 0.00 H new ATOM 0 HH12 ARG A 568 -18.537 -7.230 -9.080 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -18.919 -6.440 -12.485 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -19.016 -7.704 -11.254 1.00 0.00 H new ATOM 312 N GLU A 569 -15.164 -1.113 -6.151 1.00 0.00 N ATOM 313 CA GLU A 569 -14.132 -0.659 -5.237 1.00 0.00 C ATOM 314 C GLU A 569 -13.620 -1.864 -4.460 1.00 0.00 C ATOM 315 O GLU A 569 -12.421 -2.094 -4.362 1.00 0.00 O ATOM 316 CB GLU A 569 -14.686 0.399 -4.274 1.00 0.00 C ATOM 317 CG GLU A 569 -13.629 1.078 -3.414 1.00 0.00 C ATOM 318 CD GLU A 569 -12.732 2.006 -4.207 1.00 0.00 C ATOM 319 OE1 GLU A 569 -13.182 3.118 -4.549 1.00 0.00 O ATOM 320 OE2 GLU A 569 -11.571 1.638 -4.479 1.00 0.00 O ATOM 0 H GLU A 569 -16.089 -0.718 -5.982 1.00 0.00 H new ATOM 0 HA GLU A 569 -13.318 -0.201 -5.799 1.00 0.00 H new ATOM 0 HB2 GLU A 569 -15.211 1.160 -4.852 1.00 0.00 H new ATOM 0 HB3 GLU A 569 -15.422 -0.070 -3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 569 -14.120 1.644 -2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 569 -13.018 0.317 -2.929 1.00 0.00 H new ATOM 327 N LEU A 570 -14.565 -2.661 -3.977 1.00 0.00 N ATOM 328 CA LEU A 570 -14.275 -3.834 -3.164 1.00 0.00 C ATOM 329 C LEU A 570 -13.739 -4.982 -4.027 1.00 0.00 C ATOM 330 O LEU A 570 -13.079 -5.884 -3.523 1.00 0.00 O ATOM 331 CB LEU A 570 -15.560 -4.257 -2.436 1.00 0.00 C ATOM 332 CG LEU A 570 -15.388 -4.809 -1.013 1.00 0.00 C ATOM 333 CD1 LEU A 570 -16.736 -4.884 -0.311 1.00 0.00 C ATOM 334 CD2 LEU A 570 -14.739 -6.185 -1.034 1.00 0.00 C ATOM 0 H LEU A 570 -15.561 -2.510 -4.140 1.00 0.00 H new ATOM 0 HA LEU A 570 -13.503 -3.588 -2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.226 -3.395 -2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.060 -5.015 -3.038 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.735 -4.130 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -16.600 -5.277 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -17.174 -3.887 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -17.401 -5.542 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -14.630 -6.551 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -15.365 -6.874 -1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -13.757 -6.117 -1.502 1.00 0.00 H new ATOM 346 N GLU A 571 -14.022 -4.947 -5.325 1.00 0.00 N ATOM 347 CA GLU A 571 -13.537 -5.982 -6.244 1.00 0.00 C ATOM 348 C GLU A 571 -12.016 -6.042 -6.267 1.00 0.00 C ATOM 349 O GLU A 571 -11.416 -7.080 -5.984 1.00 0.00 O ATOM 350 CB GLU A 571 -14.040 -5.735 -7.671 1.00 0.00 C ATOM 351 CG GLU A 571 -15.511 -6.034 -7.872 1.00 0.00 C ATOM 352 CD GLU A 571 -15.855 -7.488 -7.637 1.00 0.00 C ATOM 353 OE1 GLU A 571 -15.722 -8.298 -8.579 1.00 0.00 O ATOM 354 OE2 GLU A 571 -16.275 -7.826 -6.518 1.00 0.00 O ATOM 0 H GLU A 571 -14.582 -4.218 -5.767 1.00 0.00 H new ATOM 0 HA GLU A 571 -13.928 -6.931 -5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -13.853 -4.694 -7.935 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -13.459 -6.348 -8.360 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -16.098 -5.413 -7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -15.797 -5.758 -8.887 1.00 0.00 H new ATOM 361 N GLN A 572 -11.401 -4.918 -6.590 1.00 0.00 N ATOM 362 CA GLN A 572 -9.970 -4.881 -6.848 1.00 0.00 C ATOM 363 C GLN A 572 -9.188 -4.422 -5.621 1.00 0.00 C ATOM 364 O GLN A 572 -7.959 -4.421 -5.622 1.00 0.00 O ATOM 365 CB GLN A 572 -9.693 -3.946 -8.026 1.00 0.00 C ATOM 366 CG GLN A 572 -10.461 -4.318 -9.289 1.00 0.00 C ATOM 367 CD GLN A 572 -10.205 -3.361 -10.434 1.00 0.00 C ATOM 368 OE1 GLN A 572 -9.132 -2.767 -10.542 1.00 0.00 O ATOM 369 NE2 GLN A 572 -11.190 -3.216 -11.302 1.00 0.00 N ATOM 0 H GLN A 572 -11.870 -4.017 -6.680 1.00 0.00 H new ATOM 0 HA GLN A 572 -9.639 -5.891 -7.089 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -9.952 -2.927 -7.740 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -8.625 -3.955 -8.244 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -10.182 -5.326 -9.595 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -11.528 -4.336 -9.068 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -12.063 -3.728 -11.173 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -11.078 -2.592 -12.101 1.00 0.00 H new ATOM 378 N LEU A 573 -9.907 -4.055 -4.572 1.00 0.00 N ATOM 379 CA LEU A 573 -9.290 -3.488 -3.377 1.00 0.00 C ATOM 380 C LEU A 573 -8.453 -4.542 -2.626 1.00 0.00 C ATOM 381 O LEU A 573 -7.324 -4.255 -2.264 1.00 0.00 O ATOM 382 CB LEU A 573 -10.373 -2.898 -2.463 1.00 0.00 C ATOM 383 CG LEU A 573 -9.980 -1.638 -1.682 1.00 0.00 C ATOM 384 CD1 LEU A 573 -11.156 -1.140 -0.860 1.00 0.00 C ATOM 385 CD2 LEU A 573 -8.777 -1.889 -0.795 1.00 0.00 C ATOM 0 H LEU A 573 -10.922 -4.139 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 573 -8.612 -2.691 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 573 -11.247 -2.666 -3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 573 -10.675 -3.664 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 573 -9.704 -0.868 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 573 -10.863 -0.245 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 573 -11.988 -0.903 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 573 -11.462 -1.914 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 573 -8.525 -0.976 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 573 -9.010 -2.679 -0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 573 -7.929 -2.193 -1.409 1.00 0.00 H new ATOM 397 N PRO A 574 -8.968 -5.773 -2.372 1.00 0.00 N ATOM 398 CA PRO A 574 -8.172 -6.829 -1.726 1.00 0.00 C ATOM 399 C PRO A 574 -6.918 -7.164 -2.528 1.00 0.00 C ATOM 400 O PRO A 574 -5.841 -7.362 -1.966 1.00 0.00 O ATOM 401 CB PRO A 574 -9.118 -8.034 -1.684 1.00 0.00 C ATOM 402 CG PRO A 574 -10.481 -7.452 -1.792 1.00 0.00 C ATOM 403 CD PRO A 574 -10.337 -6.232 -2.653 1.00 0.00 C ATOM 0 HA PRO A 574 -7.818 -6.526 -0.741 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -8.916 -8.724 -2.504 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -9.001 -8.597 -0.758 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -11.176 -8.164 -2.236 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -10.875 -7.193 -0.809 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -10.473 -6.467 -3.709 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -11.075 -5.472 -2.399 1.00 0.00 H new ATOM 411 N GLN A 575 -7.063 -7.196 -3.850 1.00 0.00 N ATOM 412 CA GLN A 575 -5.933 -7.436 -4.744 1.00 0.00 C ATOM 413 C GLN A 575 -4.965 -6.265 -4.700 1.00 0.00 C ATOM 414 O GLN A 575 -3.781 -6.400 -5.000 1.00 0.00 O ATOM 415 CB GLN A 575 -6.415 -7.661 -6.179 1.00 0.00 C ATOM 416 CG GLN A 575 -6.805 -9.100 -6.483 1.00 0.00 C ATOM 417 CD GLN A 575 -7.886 -9.637 -5.564 1.00 0.00 C ATOM 418 OE1 GLN A 575 -9.078 -9.521 -5.850 1.00 0.00 O ATOM 419 NE2 GLN A 575 -7.469 -10.227 -4.457 1.00 0.00 N ATOM 0 H GLN A 575 -7.954 -7.058 -4.327 1.00 0.00 H new ATOM 0 HA GLN A 575 -5.418 -8.335 -4.405 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -7.272 -7.015 -6.369 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -5.627 -7.356 -6.868 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -7.150 -9.165 -7.515 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -5.922 -9.733 -6.402 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -6.470 -10.299 -4.263 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -8.146 -10.610 -3.797 1.00 0.00 H new ATOM 428 N LEU A 576 -5.484 -5.114 -4.327 1.00 0.00 N ATOM 429 CA LEU A 576 -4.674 -3.931 -4.160 1.00 0.00 C ATOM 430 C LEU A 576 -3.997 -3.928 -2.790 1.00 0.00 C ATOM 431 O LEU A 576 -2.877 -3.456 -2.654 1.00 0.00 O ATOM 432 CB LEU A 576 -5.534 -2.686 -4.346 1.00 0.00 C ATOM 433 CG LEU A 576 -4.851 -1.381 -3.980 1.00 0.00 C ATOM 434 CD1 LEU A 576 -3.765 -1.044 -4.993 1.00 0.00 C ATOM 435 CD2 LEU A 576 -5.867 -0.256 -3.867 1.00 0.00 C ATOM 0 H LEU A 576 -6.476 -4.975 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 576 -3.890 -3.930 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 576 -5.853 -2.634 -5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 576 -6.435 -2.790 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 576 -4.377 -1.500 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -3.286 -0.105 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -3.021 -1.840 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -4.209 -0.945 -5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -5.356 0.670 -3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -6.378 -0.130 -4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -6.596 -0.500 -3.094 1.00 0.00 H new ATOM 447 N LEU A 577 -4.681 -4.456 -1.781 1.00 0.00 N ATOM 448 CA LEU A 577 -4.089 -4.609 -0.455 1.00 0.00 C ATOM 449 C LEU A 577 -2.886 -5.520 -0.516 1.00 0.00 C ATOM 450 O LEU A 577 -1.800 -5.150 -0.079 1.00 0.00 O ATOM 451 CB LEU A 577 -5.096 -5.165 0.559 1.00 0.00 C ATOM 452 CG LEU A 577 -5.905 -4.136 1.353 1.00 0.00 C ATOM 453 CD1 LEU A 577 -5.515 -2.705 0.991 1.00 0.00 C ATOM 454 CD2 LEU A 577 -7.395 -4.368 1.158 1.00 0.00 C ATOM 0 H LEU A 577 -5.644 -4.785 -1.854 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.783 -3.617 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.794 -5.811 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -4.556 -5.794 1.267 1.00 0.00 H new ATOM 0 HG LEU A 577 -5.671 -4.270 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.112 -2.006 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -4.458 -2.550 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -5.696 -2.536 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -7.956 -3.628 1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -7.643 -4.274 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -7.656 -5.368 1.504 1.00 0.00 H new ATOM 466 N GLU A 578 -3.078 -6.704 -1.076 1.00 0.00 N ATOM 467 CA GLU A 578 -1.985 -7.651 -1.227 1.00 0.00 C ATOM 468 C GLU A 578 -0.884 -7.051 -2.106 1.00 0.00 C ATOM 469 O GLU A 578 0.292 -7.388 -1.966 1.00 0.00 O ATOM 470 CB GLU A 578 -2.489 -8.977 -1.815 1.00 0.00 C ATOM 471 CG GLU A 578 -3.140 -8.843 -3.181 1.00 0.00 C ATOM 472 CD GLU A 578 -3.586 -10.172 -3.749 1.00 0.00 C ATOM 473 OE1 GLU A 578 -2.716 -10.983 -4.118 1.00 0.00 O ATOM 474 OE2 GLU A 578 -4.808 -10.420 -3.831 1.00 0.00 O ATOM 0 H GLU A 578 -3.976 -7.031 -1.432 1.00 0.00 H new ATOM 0 HA GLU A 578 -1.568 -7.858 -0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -1.651 -9.670 -1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -3.207 -9.419 -1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -4.000 -8.178 -3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -2.436 -8.376 -3.870 1.00 0.00 H new ATOM 481 N ASP A 579 -1.278 -6.133 -2.985 1.00 0.00 N ATOM 482 CA ASP A 579 -0.340 -5.454 -3.865 1.00 0.00 C ATOM 483 C ASP A 579 0.521 -4.495 -3.069 1.00 0.00 C ATOM 484 O ASP A 579 1.743 -4.577 -3.092 1.00 0.00 O ATOM 485 CB ASP A 579 -1.075 -4.652 -4.940 1.00 0.00 C ATOM 486 CG ASP A 579 -0.406 -4.771 -6.294 1.00 0.00 C ATOM 487 OD1 ASP A 579 -0.648 -5.772 -7.000 1.00 0.00 O ATOM 488 OD2 ASP A 579 0.373 -3.865 -6.656 1.00 0.00 O ATOM 0 H ASP A 579 -2.249 -5.843 -3.104 1.00 0.00 H new ATOM 0 HA ASP A 579 0.277 -6.218 -4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -2.105 -5.002 -5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -1.115 -3.603 -4.646 1.00 0.00 H new ATOM 493 N LEU A 580 -0.143 -3.590 -2.364 1.00 0.00 N ATOM 494 CA LEU A 580 0.521 -2.546 -1.596 1.00 0.00 C ATOM 495 C LEU A 580 1.299 -3.127 -0.431 1.00 0.00 C ATOM 496 O LEU A 580 2.335 -2.600 -0.048 1.00 0.00 O ATOM 497 CB LEU A 580 -0.510 -1.554 -1.072 1.00 0.00 C ATOM 498 CG LEU A 580 -1.319 -0.849 -2.148 1.00 0.00 C ATOM 499 CD1 LEU A 580 -2.455 -0.067 -1.516 1.00 0.00 C ATOM 500 CD2 LEU A 580 -0.420 0.060 -2.975 1.00 0.00 C ATOM 0 H LEU A 580 -1.161 -3.559 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 580 1.222 -2.038 -2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 580 -1.196 -2.080 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 580 0.002 -0.803 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 580 -1.749 -1.595 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 580 -3.029 0.435 -2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 580 -3.105 -0.749 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 580 -2.048 0.676 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 580 -1.013 0.558 -3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 580 0.037 0.808 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 580 0.361 -0.534 -3.450 1.00 0.00 H new ATOM 512 N GLU A 581 0.780 -4.203 0.133 1.00 0.00 N ATOM 513 CA GLU A 581 1.444 -4.890 1.227 1.00 0.00 C ATOM 514 C GLU A 581 2.783 -5.436 0.760 1.00 0.00 C ATOM 515 O GLU A 581 3.829 -5.138 1.337 1.00 0.00 O ATOM 516 CB GLU A 581 0.572 -6.031 1.731 1.00 0.00 C ATOM 517 CG GLU A 581 1.103 -6.686 2.989 1.00 0.00 C ATOM 518 CD GLU A 581 0.381 -7.971 3.321 1.00 0.00 C ATOM 519 OE1 GLU A 581 0.393 -8.896 2.483 1.00 0.00 O ATOM 520 OE2 GLU A 581 -0.190 -8.073 4.424 1.00 0.00 O ATOM 0 H GLU A 581 -0.105 -4.622 -0.151 1.00 0.00 H new ATOM 0 HA GLU A 581 1.610 -4.182 2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -0.432 -5.653 1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 581 0.484 -6.784 0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 581 2.166 -6.892 2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 581 1.007 -5.993 3.824 1.00 0.00 H new ATOM 527 N ALA A 582 2.737 -6.216 -0.312 1.00 0.00 N ATOM 528 CA ALA A 582 3.941 -6.797 -0.894 1.00 0.00 C ATOM 529 C ALA A 582 4.836 -5.709 -1.470 1.00 0.00 C ATOM 530 O ALA A 582 6.053 -5.853 -1.509 1.00 0.00 O ATOM 531 CB ALA A 582 3.568 -7.807 -1.966 1.00 0.00 C ATOM 0 H ALA A 582 1.875 -6.462 -0.798 1.00 0.00 H new ATOM 0 HA ALA A 582 4.495 -7.311 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 582 4.475 -8.235 -2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 582 2.966 -8.601 -1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 582 2.996 -7.311 -2.750 1.00 0.00 H new ATOM 537 N LYS A 583 4.219 -4.619 -1.904 1.00 0.00 N ATOM 538 CA LYS A 583 4.947 -3.466 -2.413 1.00 0.00 C ATOM 539 C LYS A 583 5.747 -2.820 -1.291 1.00 0.00 C ATOM 540 O LYS A 583 6.949 -2.606 -1.416 1.00 0.00 O ATOM 541 CB LYS A 583 3.979 -2.453 -3.017 1.00 0.00 C ATOM 542 CG LYS A 583 4.685 -1.276 -3.648 1.00 0.00 C ATOM 543 CD LYS A 583 3.733 -0.146 -3.960 1.00 0.00 C ATOM 544 CE LYS A 583 4.509 1.127 -4.224 1.00 0.00 C ATOM 545 NZ LYS A 583 5.253 1.084 -5.510 1.00 0.00 N ATOM 0 H LYS A 583 3.205 -4.509 -1.913 1.00 0.00 H new ATOM 0 HA LYS A 583 5.633 -3.800 -3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 583 3.364 -2.948 -3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 583 3.305 -2.093 -2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 583 5.465 -0.918 -2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 583 5.178 -1.598 -4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 583 3.127 -0.400 -4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 583 3.047 0.003 -3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 583 3.821 1.972 -4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 583 5.211 1.297 -3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 6.249 1.333 -5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 5.198 0.126 -5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 4.834 1.763 -6.177 1.00 0.00 H new ATOM 559 N LEU A 584 5.066 -2.529 -0.191 1.00 0.00 N ATOM 560 CA LEU A 584 5.701 -1.954 0.982 1.00 0.00 C ATOM 561 C LEU A 584 6.789 -2.892 1.486 1.00 0.00 C ATOM 562 O LEU A 584 7.921 -2.475 1.723 1.00 0.00 O ATOM 563 CB LEU A 584 4.638 -1.687 2.068 1.00 0.00 C ATOM 564 CG LEU A 584 5.126 -1.001 3.353 1.00 0.00 C ATOM 565 CD1 LEU A 584 5.740 -2.005 4.318 1.00 0.00 C ATOM 566 CD2 LEU A 584 6.121 0.097 3.021 1.00 0.00 C ATOM 0 H LEU A 584 4.063 -2.685 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 584 6.167 -1.003 0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 584 3.851 -1.072 1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 584 4.183 -2.639 2.341 1.00 0.00 H new ATOM 0 HG LEU A 584 4.262 -0.554 3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 584 6.075 -1.488 5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 584 4.995 -2.754 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 584 6.590 -2.494 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 584 6.458 0.574 3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 584 6.977 -0.333 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 584 5.644 0.840 2.382 1.00 0.00 H new ATOM 578 N GLU A 585 6.435 -4.161 1.623 1.00 0.00 N ATOM 579 CA GLU A 585 7.372 -5.192 2.048 1.00 0.00 C ATOM 580 C GLU A 585 8.601 -5.223 1.129 1.00 0.00 C ATOM 581 O GLU A 585 9.742 -5.283 1.597 1.00 0.00 O ATOM 582 CB GLU A 585 6.658 -6.546 2.041 1.00 0.00 C ATOM 583 CG GLU A 585 7.520 -7.717 2.475 1.00 0.00 C ATOM 584 CD GLU A 585 7.949 -7.630 3.927 1.00 0.00 C ATOM 585 OE1 GLU A 585 8.850 -6.830 4.246 1.00 0.00 O ATOM 586 OE2 GLU A 585 7.379 -8.363 4.766 1.00 0.00 O ATOM 0 H GLU A 585 5.492 -4.505 1.443 1.00 0.00 H new ATOM 0 HA GLU A 585 7.720 -4.970 3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 585 5.790 -6.488 2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 585 6.284 -6.740 1.036 1.00 0.00 H new ATOM 0 HG2 GLU A 585 6.969 -8.644 2.320 1.00 0.00 H new ATOM 0 HG3 GLU A 585 8.406 -7.763 1.842 1.00 0.00 H new ATOM 593 N ALA A 586 8.361 -5.136 -0.176 1.00 0.00 N ATOM 594 CA ALA A 586 9.433 -5.183 -1.165 1.00 0.00 C ATOM 595 C ALA A 586 10.312 -3.942 -1.077 1.00 0.00 C ATOM 596 O ALA A 586 11.534 -4.016 -1.214 1.00 0.00 O ATOM 597 CB ALA A 586 8.854 -5.314 -2.568 1.00 0.00 C ATOM 0 H ALA A 586 7.428 -5.032 -0.575 1.00 0.00 H new ATOM 0 HA ALA A 586 10.050 -6.056 -0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 586 9.666 -5.348 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 586 8.268 -6.231 -2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 586 8.214 -4.457 -2.779 1.00 0.00 H new ATOM 603 N LEU A 587 9.689 -2.802 -0.830 1.00 0.00 N ATOM 604 CA LEU A 587 10.413 -1.548 -0.745 1.00 0.00 C ATOM 605 C LEU A 587 11.173 -1.466 0.568 1.00 0.00 C ATOM 606 O LEU A 587 12.292 -0.968 0.618 1.00 0.00 O ATOM 607 CB LEU A 587 9.447 -0.370 -0.876 1.00 0.00 C ATOM 608 CG LEU A 587 8.704 -0.291 -2.212 1.00 0.00 C ATOM 609 CD1 LEU A 587 7.597 0.742 -2.145 1.00 0.00 C ATOM 610 CD2 LEU A 587 9.666 0.039 -3.343 1.00 0.00 C ATOM 0 H LEU A 587 8.683 -2.721 -0.685 1.00 0.00 H new ATOM 0 HA LEU A 587 11.131 -1.502 -1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 587 8.713 -0.429 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 587 10.004 0.556 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 587 8.258 -1.265 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 587 7.080 0.784 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 587 6.889 0.467 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 587 8.024 1.719 -1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 587 9.118 0.090 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 587 10.142 1.000 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 587 10.429 -0.737 -3.410 1.00 0.00 H new ATOM 622 N GLN A 588 10.580 -1.998 1.623 1.00 0.00 N ATOM 623 CA GLN A 588 11.172 -1.926 2.947 1.00 0.00 C ATOM 624 C GLN A 588 12.326 -2.899 3.098 1.00 0.00 C ATOM 625 O GLN A 588 13.207 -2.675 3.911 1.00 0.00 O ATOM 626 CB GLN A 588 10.118 -2.186 4.021 1.00 0.00 C ATOM 627 CG GLN A 588 9.209 -0.995 4.279 1.00 0.00 C ATOM 628 CD GLN A 588 9.843 0.071 5.165 1.00 0.00 C ATOM 629 OE1 GLN A 588 9.142 0.787 5.873 1.00 0.00 O ATOM 630 NE2 GLN A 588 11.166 0.176 5.147 1.00 0.00 N ATOM 0 H GLN A 588 9.685 -2.486 1.587 1.00 0.00 H new ATOM 0 HA GLN A 588 11.567 -0.918 3.075 1.00 0.00 H new ATOM 0 HB2 GLN A 588 9.509 -3.040 3.723 1.00 0.00 H new ATOM 0 HB3 GLN A 588 10.617 -2.460 4.950 1.00 0.00 H new ATOM 0 HG2 GLN A 588 8.932 -0.546 3.325 1.00 0.00 H new ATOM 0 HG3 GLN A 588 8.288 -1.345 4.746 1.00 0.00 H new ATOM 0 HE21 GLN A 588 11.718 -0.436 4.546 1.00 0.00 H new ATOM 0 HE22 GLN A 588 11.631 0.869 5.734 1.00 0.00 H new ATOM 639 N THR A 589 12.334 -3.968 2.314 1.00 0.00 N ATOM 640 CA THR A 589 13.395 -4.960 2.421 1.00 0.00 C ATOM 641 C THR A 589 14.649 -4.514 1.665 1.00 0.00 C ATOM 642 O THR A 589 15.765 -4.887 2.029 1.00 0.00 O ATOM 643 CB THR A 589 12.933 -6.353 1.931 1.00 0.00 C ATOM 644 OG1 THR A 589 13.898 -7.348 2.294 1.00 0.00 O ATOM 645 CG2 THR A 589 12.729 -6.385 0.426 1.00 0.00 C ATOM 0 H THR A 589 11.628 -4.170 1.606 1.00 0.00 H new ATOM 0 HA THR A 589 13.644 -5.046 3.479 1.00 0.00 H new ATOM 0 HB THR A 589 11.977 -6.564 2.411 1.00 0.00 H new ATOM 0 HG1 THR A 589 13.596 -8.226 1.981 1.00 0.00 H new ATOM 0 HG21 THR A 589 12.405 -7.381 0.124 1.00 0.00 H new ATOM 0 HG22 THR A 589 11.969 -5.656 0.146 1.00 0.00 H new ATOM 0 HG23 THR A 589 13.667 -6.141 -0.074 1.00 0.00 H new ATOM 653 N GLN A 590 14.471 -3.701 0.628 1.00 0.00 N ATOM 654 CA GLN A 590 15.611 -3.138 -0.081 1.00 0.00 C ATOM 655 C GLN A 590 16.122 -1.903 0.657 1.00 0.00 C ATOM 656 O GLN A 590 17.280 -1.517 0.518 1.00 0.00 O ATOM 657 CB GLN A 590 15.255 -2.819 -1.538 1.00 0.00 C ATOM 658 CG GLN A 590 14.086 -1.866 -1.710 1.00 0.00 C ATOM 659 CD GLN A 590 13.623 -1.772 -3.153 1.00 0.00 C ATOM 660 OE1 GLN A 590 13.733 -2.730 -3.914 1.00 0.00 O ATOM 661 NE2 GLN A 590 13.108 -0.619 -3.537 1.00 0.00 N ATOM 0 H GLN A 590 13.560 -3.421 0.265 1.00 0.00 H new ATOM 0 HA GLN A 590 16.411 -3.878 -0.105 1.00 0.00 H new ATOM 0 HB2 GLN A 590 16.130 -2.391 -2.027 1.00 0.00 H new ATOM 0 HB3 GLN A 590 15.026 -3.751 -2.054 1.00 0.00 H new ATOM 0 HG2 GLN A 590 13.256 -2.197 -1.086 1.00 0.00 H new ATOM 0 HG3 GLN A 590 14.374 -0.875 -1.358 1.00 0.00 H new ATOM 0 HE21 GLN A 590 13.034 0.153 -2.874 1.00 0.00 H new ATOM 0 HE22 GLN A 590 12.784 -0.500 -4.497 1.00 0.00 H new ATOM 670 N VAL A 591 15.245 -1.306 1.459 1.00 0.00 N ATOM 671 CA VAL A 591 15.626 -0.221 2.358 1.00 0.00 C ATOM 672 C VAL A 591 16.216 -0.803 3.643 1.00 0.00 C ATOM 673 O VAL A 591 17.012 -0.163 4.329 1.00 0.00 O ATOM 674 CB VAL A 591 14.405 0.679 2.692 1.00 0.00 C ATOM 675 CG1 VAL A 591 14.742 1.710 3.757 1.00 0.00 C ATOM 676 CG2 VAL A 591 13.893 1.372 1.439 1.00 0.00 C ATOM 0 H VAL A 591 14.258 -1.558 1.504 1.00 0.00 H new ATOM 0 HA VAL A 591 16.375 0.395 1.860 1.00 0.00 H new ATOM 0 HB VAL A 591 13.622 0.032 3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 591 13.863 2.320 3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 591 15.054 1.202 4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 591 15.552 2.348 3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 591 13.038 1.998 1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 591 14.684 1.992 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 591 13.590 0.623 0.707 1.00 0.00 H new ATOM 686 N ALA A 592 15.831 -2.043 3.942 1.00 0.00 N ATOM 687 CA ALA A 592 16.304 -2.741 5.133 1.00 0.00 C ATOM 688 C ALA A 592 17.783 -3.078 5.021 1.00 0.00 C ATOM 689 O ALA A 592 18.443 -3.359 6.021 1.00 0.00 O ATOM 690 CB ALA A 592 15.502 -4.013 5.369 1.00 0.00 C ATOM 0 H ALA A 592 15.187 -2.588 3.369 1.00 0.00 H new ATOM 0 HA ALA A 592 16.164 -2.072 5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 592 15.873 -4.516 6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 592 14.450 -3.760 5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 592 15.608 -4.675 4.509 1.00 0.00 H new ATOM 696 N ASP A 593 18.292 -3.059 3.797 1.00 0.00 N ATOM 697 CA ASP A 593 19.696 -3.351 3.548 1.00 0.00 C ATOM 698 C ASP A 593 20.547 -2.118 3.828 1.00 0.00 C ATOM 699 O ASP A 593 20.137 -0.988 3.564 1.00 0.00 O ATOM 700 CB ASP A 593 19.903 -3.803 2.100 1.00 0.00 C ATOM 701 CG ASP A 593 21.201 -4.567 1.918 1.00 0.00 C ATOM 702 OD1 ASP A 593 22.281 -3.972 2.110 1.00 0.00 O ATOM 703 OD2 ASP A 593 21.149 -5.766 1.584 1.00 0.00 O ATOM 0 H ASP A 593 17.752 -2.844 2.959 1.00 0.00 H new ATOM 0 HA ASP A 593 20.002 -4.157 4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 593 19.067 -4.432 1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 593 19.902 -2.931 1.445 1.00 0.00 H new ATOM 708 N ALA A 594 21.737 -2.347 4.365 1.00 0.00 N ATOM 709 CA ALA A 594 22.646 -1.263 4.713 1.00 0.00 C ATOM 710 C ALA A 594 23.281 -0.659 3.468 1.00 0.00 C ATOM 711 O ALA A 594 23.807 0.453 3.503 1.00 0.00 O ATOM 712 CB ALA A 594 23.719 -1.763 5.666 1.00 0.00 C ATOM 0 H ALA A 594 22.097 -3.279 4.570 1.00 0.00 H new ATOM 0 HA ALA A 594 22.070 -0.482 5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 594 24.392 -0.944 5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 594 23.251 -2.141 6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 594 24.285 -2.563 5.189 1.00 0.00 H new ATOM 718 N SER A 595 23.224 -1.392 2.362 1.00 0.00 N ATOM 719 CA SER A 595 23.763 -0.905 1.105 1.00 0.00 C ATOM 720 C SER A 595 22.820 0.119 0.483 1.00 0.00 C ATOM 721 O SER A 595 23.210 0.871 -0.412 1.00 0.00 O ATOM 722 CB SER A 595 24.011 -2.064 0.131 1.00 0.00 C ATOM 723 OG SER A 595 22.825 -2.806 -0.100 1.00 0.00 O ATOM 0 H SER A 595 22.810 -2.323 2.314 1.00 0.00 H new ATOM 0 HA SER A 595 24.718 -0.421 1.309 1.00 0.00 H new ATOM 0 HB2 SER A 595 24.388 -1.673 -0.814 1.00 0.00 H new ATOM 0 HB3 SER A 595 24.781 -2.722 0.534 1.00 0.00 H new ATOM 0 HG SER A 595 22.774 -3.548 0.539 1.00 0.00 H new ATOM 729 N PHE A 596 21.582 0.153 0.971 1.00 0.00 N ATOM 730 CA PHE A 596 20.598 1.098 0.468 1.00 0.00 C ATOM 731 C PHE A 596 21.035 2.533 0.745 1.00 0.00 C ATOM 732 O PHE A 596 21.227 3.320 -0.175 1.00 0.00 O ATOM 733 CB PHE A 596 19.226 0.849 1.098 1.00 0.00 C ATOM 734 CG PHE A 596 18.185 1.841 0.657 1.00 0.00 C ATOM 735 CD1 PHE A 596 17.725 1.843 -0.650 1.00 0.00 C ATOM 736 CD2 PHE A 596 17.676 2.778 1.543 1.00 0.00 C ATOM 737 CE1 PHE A 596 16.780 2.758 -1.061 1.00 0.00 C ATOM 738 CE2 PHE A 596 16.729 3.694 1.134 1.00 0.00 C ATOM 739 CZ PHE A 596 16.281 3.684 -0.168 1.00 0.00 C ATOM 0 H PHE A 596 21.241 -0.461 1.711 1.00 0.00 H new ATOM 0 HA PHE A 596 20.522 0.951 -0.609 1.00 0.00 H new ATOM 0 HB2 PHE A 596 18.892 -0.157 0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 596 19.319 0.887 2.183 1.00 0.00 H new ATOM 0 HD1 PHE A 596 18.111 1.120 -1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 596 18.025 2.791 2.565 1.00 0.00 H new ATOM 0 HE1 PHE A 596 16.430 2.750 -2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.339 4.418 1.834 1.00 0.00 H new ATOM 0 HZ PHE A 596 15.540 4.400 -0.490 1.00 0.00 H new ATOM 749 N PHE A 597 21.238 2.850 2.019 1.00 0.00 N ATOM 750 CA PHE A 597 21.538 4.221 2.436 1.00 0.00 C ATOM 751 C PHE A 597 22.964 4.622 2.075 1.00 0.00 C ATOM 752 O PHE A 597 23.393 5.744 2.343 1.00 0.00 O ATOM 753 CB PHE A 597 21.317 4.387 3.938 1.00 0.00 C ATOM 754 CG PHE A 597 19.880 4.278 4.355 1.00 0.00 C ATOM 755 CD1 PHE A 597 19.019 5.352 4.199 1.00 0.00 C ATOM 756 CD2 PHE A 597 19.392 3.106 4.907 1.00 0.00 C ATOM 757 CE1 PHE A 597 17.696 5.259 4.583 1.00 0.00 C ATOM 758 CE2 PHE A 597 18.070 3.005 5.294 1.00 0.00 C ATOM 759 CZ PHE A 597 17.221 4.084 5.134 1.00 0.00 C ATOM 0 H PHE A 597 21.201 2.177 2.785 1.00 0.00 H new ATOM 0 HA PHE A 597 20.856 4.879 1.898 1.00 0.00 H new ATOM 0 HB2 PHE A 597 21.897 3.631 4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 597 21.703 5.359 4.247 1.00 0.00 H new ATOM 0 HD1 PHE A 597 19.387 6.273 3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 597 20.052 2.261 5.036 1.00 0.00 H new ATOM 0 HE1 PHE A 597 17.034 6.102 4.453 1.00 0.00 H new ATOM 0 HE2 PHE A 597 17.700 2.084 5.721 1.00 0.00 H new ATOM 0 HZ PHE A 597 16.188 4.009 5.439 1.00 0.00 H new ATOM 769 N SER A 598 23.693 3.704 1.459 1.00 0.00 N ATOM 770 CA SER A 598 25.027 3.999 0.968 1.00 0.00 C ATOM 771 C SER A 598 24.918 4.676 -0.398 1.00 0.00 C ATOM 772 O SER A 598 25.913 5.093 -0.993 1.00 0.00 O ATOM 773 CB SER A 598 25.851 2.710 0.879 1.00 0.00 C ATOM 774 OG SER A 598 27.230 2.988 0.700 1.00 0.00 O ATOM 0 H SER A 598 23.381 2.748 1.288 1.00 0.00 H new ATOM 0 HA SER A 598 25.535 4.674 1.657 1.00 0.00 H new ATOM 0 HB2 SER A 598 25.712 2.124 1.787 1.00 0.00 H new ATOM 0 HB3 SER A 598 25.490 2.102 0.049 1.00 0.00 H new ATOM 0 HG SER A 598 27.336 3.713 0.049 1.00 0.00 H new ATOM 780 N GLN A 599 23.687 4.781 -0.881 1.00 0.00 N ATOM 781 CA GLN A 599 23.395 5.422 -2.145 1.00 0.00 C ATOM 782 C GLN A 599 23.075 6.895 -1.931 1.00 0.00 C ATOM 783 O GLN A 599 22.875 7.330 -0.793 1.00 0.00 O ATOM 784 CB GLN A 599 22.231 4.695 -2.815 1.00 0.00 C ATOM 785 CG GLN A 599 22.618 3.307 -3.287 1.00 0.00 C ATOM 786 CD GLN A 599 21.491 2.564 -3.968 1.00 0.00 C ATOM 787 OE1 GLN A 599 21.323 2.652 -5.184 1.00 0.00 O ATOM 788 NE2 GLN A 599 20.714 1.823 -3.196 1.00 0.00 N ATOM 0 H GLN A 599 22.863 4.420 -0.400 1.00 0.00 H new ATOM 0 HA GLN A 599 24.267 5.367 -2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 599 21.400 4.620 -2.114 1.00 0.00 H new ATOM 0 HB3 GLN A 599 21.879 5.281 -3.664 1.00 0.00 H new ATOM 0 HG2 GLN A 599 23.458 3.388 -3.977 1.00 0.00 H new ATOM 0 HG3 GLN A 599 22.962 2.724 -2.432 1.00 0.00 H new ATOM 0 HE21 GLN A 599 20.887 1.777 -2.192 1.00 0.00 H new ATOM 0 HE22 GLN A 599 19.941 1.297 -3.605 1.00 0.00 H new ATOM 797 N PRO A 600 23.036 7.687 -3.012 1.00 0.00 N ATOM 798 CA PRO A 600 22.793 9.127 -2.928 1.00 0.00 C ATOM 799 C PRO A 600 21.388 9.434 -2.448 1.00 0.00 C ATOM 800 O PRO A 600 20.463 8.675 -2.745 1.00 0.00 O ATOM 801 CB PRO A 600 22.976 9.610 -4.375 1.00 0.00 C ATOM 802 CG PRO A 600 23.726 8.511 -5.045 1.00 0.00 C ATOM 803 CD PRO A 600 23.215 7.259 -4.406 1.00 0.00 C ATOM 0 HA PRO A 600 23.461 9.614 -2.217 1.00 0.00 H new ATOM 0 HB2 PRO A 600 22.015 9.787 -4.859 1.00 0.00 H new ATOM 0 HB3 PRO A 600 23.529 10.548 -4.413 1.00 0.00 H new ATOM 0 HG2 PRO A 600 23.548 8.508 -6.120 1.00 0.00 H new ATOM 0 HG3 PRO A 600 24.801 8.619 -4.900 1.00 0.00 H new ATOM 0 HD2 PRO A 600 22.280 6.923 -4.854 1.00 0.00 H new ATOM 0 HD3 PRO A 600 23.924 6.436 -4.494 1.00 0.00 H new ATOM 811 N HIS A 601 21.231 10.525 -1.702 1.00 0.00 N ATOM 812 CA HIS A 601 19.926 10.902 -1.165 1.00 0.00 C ATOM 813 C HIS A 601 18.870 10.817 -2.248 1.00 0.00 C ATOM 814 O HIS A 601 17.868 10.143 -2.079 1.00 0.00 O ATOM 815 CB HIS A 601 19.962 12.320 -0.589 1.00 0.00 C ATOM 816 CG HIS A 601 18.675 12.770 0.036 1.00 0.00 C ATOM 817 ND1 HIS A 601 18.252 12.344 1.276 1.00 0.00 N ATOM 818 CD2 HIS A 601 17.735 13.636 -0.401 1.00 0.00 C ATOM 819 CE1 HIS A 601 17.109 12.930 1.574 1.00 0.00 C ATOM 820 NE2 HIS A 601 16.772 13.721 0.574 1.00 0.00 N ATOM 0 H HIS A 601 21.989 11.162 -1.456 1.00 0.00 H new ATOM 0 HA HIS A 601 19.676 10.207 -0.363 1.00 0.00 H new ATOM 0 HB2 HIS A 601 20.753 12.375 0.159 1.00 0.00 H new ATOM 0 HB3 HIS A 601 20.227 13.015 -1.385 1.00 0.00 H new ATOM 0 HD2 HIS A 601 17.740 14.164 -1.343 1.00 0.00 H new ATOM 0 HE1 HIS A 601 16.544 12.786 2.483 1.00 0.00 H new ATOM 0 HE2 HIS A 601 15.934 14.301 0.532 1.00 0.00 H new ATOM 829 N GLU A 602 19.141 11.462 -3.374 1.00 0.00 N ATOM 830 CA GLU A 602 18.190 11.554 -4.478 1.00 0.00 C ATOM 831 C GLU A 602 17.618 10.193 -4.875 1.00 0.00 C ATOM 832 O GLU A 602 16.446 10.098 -5.242 1.00 0.00 O ATOM 833 CB GLU A 602 18.866 12.205 -5.676 1.00 0.00 C ATOM 834 CG GLU A 602 19.389 13.593 -5.376 1.00 0.00 C ATOM 835 CD GLU A 602 20.328 14.094 -6.445 1.00 0.00 C ATOM 836 OE1 GLU A 602 19.850 14.547 -7.500 1.00 0.00 O ATOM 837 OE2 GLU A 602 21.557 14.019 -6.242 1.00 0.00 O ATOM 0 H GLU A 602 20.026 11.937 -3.550 1.00 0.00 H new ATOM 0 HA GLU A 602 17.352 12.164 -4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 602 19.692 11.575 -6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 602 18.156 12.260 -6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 602 18.550 14.282 -5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 602 19.906 13.585 -4.416 1.00 0.00 H new ATOM 844 N GLN A 603 18.425 9.139 -4.799 1.00 0.00 N ATOM 845 CA GLN A 603 17.937 7.820 -5.168 1.00 0.00 C ATOM 846 C GLN A 603 17.228 7.193 -3.967 1.00 0.00 C ATOM 847 O GLN A 603 16.138 6.633 -4.099 1.00 0.00 O ATOM 848 CB GLN A 603 19.083 6.921 -5.687 1.00 0.00 C ATOM 849 CG GLN A 603 19.750 6.040 -4.646 1.00 0.00 C ATOM 850 CD GLN A 603 18.981 4.748 -4.392 1.00 0.00 C ATOM 851 OE1 GLN A 603 18.979 4.226 -3.282 1.00 0.00 O ATOM 852 NE2 GLN A 603 18.330 4.220 -5.417 1.00 0.00 N ATOM 0 H GLN A 603 19.397 9.172 -4.492 1.00 0.00 H new ATOM 0 HA GLN A 603 17.224 7.918 -5.986 1.00 0.00 H new ATOM 0 HB2 GLN A 603 18.690 6.283 -6.479 1.00 0.00 H new ATOM 0 HB3 GLN A 603 19.844 7.558 -6.139 1.00 0.00 H new ATOM 0 HG2 GLN A 603 20.761 5.798 -4.974 1.00 0.00 H new ATOM 0 HG3 GLN A 603 19.842 6.594 -3.712 1.00 0.00 H new ATOM 0 HE21 GLN A 603 18.352 4.680 -6.327 1.00 0.00 H new ATOM 0 HE22 GLN A 603 17.806 3.353 -5.297 1.00 0.00 H new ATOM 861 N THR A 604 17.832 7.329 -2.789 1.00 0.00 N ATOM 862 CA THR A 604 17.311 6.704 -1.587 1.00 0.00 C ATOM 863 C THR A 604 15.981 7.326 -1.169 1.00 0.00 C ATOM 864 O THR A 604 15.012 6.612 -0.928 1.00 0.00 O ATOM 865 CB THR A 604 18.314 6.777 -0.418 1.00 0.00 C ATOM 866 OG1 THR A 604 18.792 8.117 -0.259 1.00 0.00 O ATOM 867 CG2 THR A 604 19.494 5.834 -0.638 1.00 0.00 C ATOM 0 H THR A 604 18.685 7.869 -2.646 1.00 0.00 H new ATOM 0 HA THR A 604 17.147 5.654 -1.829 1.00 0.00 H new ATOM 0 HB THR A 604 17.792 6.467 0.487 1.00 0.00 H new ATOM 0 HG1 THR A 604 18.394 8.690 -0.947 1.00 0.00 H new ATOM 0 HG21 THR A 604 20.182 5.910 0.204 1.00 0.00 H new ATOM 0 HG22 THR A 604 19.131 4.809 -0.719 1.00 0.00 H new ATOM 0 HG23 THR A 604 20.013 6.108 -1.556 1.00 0.00 H new ATOM 875 N GLN A 605 15.927 8.657 -1.120 1.00 0.00 N ATOM 876 CA GLN A 605 14.708 9.364 -0.734 1.00 0.00 C ATOM 877 C GLN A 605 13.603 9.111 -1.739 1.00 0.00 C ATOM 878 O GLN A 605 12.427 9.265 -1.430 1.00 0.00 O ATOM 879 CB GLN A 605 14.951 10.873 -0.575 1.00 0.00 C ATOM 880 CG GLN A 605 15.502 11.573 -1.808 1.00 0.00 C ATOM 881 CD GLN A 605 14.448 12.310 -2.616 1.00 0.00 C ATOM 882 OE1 GLN A 605 14.158 13.480 -2.363 1.00 0.00 O ATOM 883 NE2 GLN A 605 13.888 11.643 -3.614 1.00 0.00 N ATOM 0 H GLN A 605 16.714 9.267 -1.343 1.00 0.00 H new ATOM 0 HA GLN A 605 14.398 8.974 0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.011 11.349 -0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 605 15.644 11.028 0.252 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.271 12.281 -1.499 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.987 10.835 -2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 605 14.154 10.675 -3.793 1.00 0.00 H new ATOM 0 HE22 GLN A 605 13.191 12.098 -4.204 1.00 0.00 H new ATOM 892 N LYS A 606 13.990 8.725 -2.943 1.00 0.00 N ATOM 893 CA LYS A 606 13.034 8.404 -3.976 1.00 0.00 C ATOM 894 C LYS A 606 12.379 7.068 -3.655 1.00 0.00 C ATOM 895 O LYS A 606 11.159 6.925 -3.727 1.00 0.00 O ATOM 896 CB LYS A 606 13.740 8.369 -5.336 1.00 0.00 C ATOM 897 CG LYS A 606 12.819 8.238 -6.524 1.00 0.00 C ATOM 898 CD LYS A 606 12.509 6.792 -6.835 1.00 0.00 C ATOM 899 CE LYS A 606 11.719 6.681 -8.118 1.00 0.00 C ATOM 900 NZ LYS A 606 12.482 7.195 -9.285 1.00 0.00 N ATOM 0 H LYS A 606 14.965 8.628 -3.225 1.00 0.00 H new ATOM 0 HA LYS A 606 12.256 9.166 -4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 606 14.327 9.280 -5.448 1.00 0.00 H new ATOM 0 HB3 LYS A 606 14.441 7.535 -5.344 1.00 0.00 H new ATOM 0 HG2 LYS A 606 11.891 8.774 -6.326 1.00 0.00 H new ATOM 0 HG3 LYS A 606 13.279 8.707 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 606 13.437 6.226 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 606 11.943 6.351 -6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 606 11.451 5.639 -8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 606 10.787 7.238 -8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 12.417 6.515 -10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 12.084 8.108 -9.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 13.479 7.322 -9.019 1.00 0.00 H new ATOM 914 N VAL A 607 13.205 6.102 -3.271 1.00 0.00 N ATOM 915 CA VAL A 607 12.715 4.790 -2.869 1.00 0.00 C ATOM 916 C VAL A 607 11.943 4.899 -1.556 1.00 0.00 C ATOM 917 O VAL A 607 10.884 4.292 -1.388 1.00 0.00 O ATOM 918 CB VAL A 607 13.871 3.780 -2.699 1.00 0.00 C ATOM 919 CG1 VAL A 607 13.342 2.413 -2.287 1.00 0.00 C ATOM 920 CG2 VAL A 607 14.682 3.673 -3.982 1.00 0.00 C ATOM 0 H VAL A 607 14.219 6.203 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 607 12.056 4.428 -3.658 1.00 0.00 H new ATOM 0 HB VAL A 607 14.524 4.145 -1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 607 14.175 1.719 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 607 12.810 2.499 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 607 12.661 2.040 -3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 607 15.492 2.957 -3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 607 14.037 3.337 -4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 607 15.100 4.649 -4.231 1.00 0.00 H new ATOM 930 N LEU A 608 12.482 5.694 -0.637 1.00 0.00 N ATOM 931 CA LEU A 608 11.828 5.968 0.637 1.00 0.00 C ATOM 932 C LEU A 608 10.455 6.586 0.403 1.00 0.00 C ATOM 933 O LEU A 608 9.485 6.249 1.077 1.00 0.00 O ATOM 934 CB LEU A 608 12.691 6.915 1.478 1.00 0.00 C ATOM 935 CG LEU A 608 14.080 6.393 1.850 1.00 0.00 C ATOM 936 CD1 LEU A 608 14.891 7.482 2.536 1.00 0.00 C ATOM 937 CD2 LEU A 608 13.972 5.172 2.747 1.00 0.00 C ATOM 0 H LEU A 608 13.380 6.164 -0.754 1.00 0.00 H new ATOM 0 HA LEU A 608 11.704 5.028 1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 608 12.809 7.851 0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 608 12.153 7.148 2.397 1.00 0.00 H new ATOM 0 HG LEU A 608 14.592 6.102 0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 608 15.876 7.094 2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 608 15.001 8.332 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 608 14.378 7.801 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 608 14.971 4.817 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 608 13.439 5.437 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 608 13.428 4.384 2.226 1.00 0.00 H new ATOM 949 N ALA A 609 10.386 7.484 -0.571 1.00 0.00 N ATOM 950 CA ALA A 609 9.141 8.151 -0.922 1.00 0.00 C ATOM 951 C ALA A 609 8.125 7.160 -1.475 1.00 0.00 C ATOM 952 O ALA A 609 6.944 7.215 -1.132 1.00 0.00 O ATOM 953 CB ALA A 609 9.408 9.254 -1.931 1.00 0.00 C ATOM 0 H ALA A 609 11.186 7.769 -1.136 1.00 0.00 H new ATOM 0 HA ALA A 609 8.722 8.591 -0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 609 8.470 9.747 -2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 609 10.095 9.982 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 609 9.850 8.825 -2.830 1.00 0.00 H new ATOM 959 N ASP A 610 8.587 6.248 -2.323 1.00 0.00 N ATOM 960 CA ASP A 610 7.698 5.259 -2.919 1.00 0.00 C ATOM 961 C ASP A 610 7.214 4.290 -1.852 1.00 0.00 C ATOM 962 O ASP A 610 6.073 3.831 -1.888 1.00 0.00 O ATOM 963 CB ASP A 610 8.389 4.502 -4.055 1.00 0.00 C ATOM 964 CG ASP A 610 7.394 3.776 -4.947 1.00 0.00 C ATOM 965 OD1 ASP A 610 6.572 4.457 -5.600 1.00 0.00 O ATOM 966 OD2 ASP A 610 7.440 2.532 -5.021 1.00 0.00 O ATOM 0 H ASP A 610 9.563 6.173 -2.611 1.00 0.00 H new ATOM 0 HA ASP A 610 6.841 5.782 -3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 610 8.970 5.202 -4.656 1.00 0.00 H new ATOM 0 HB3 ASP A 610 9.092 3.782 -3.635 1.00 0.00 H new ATOM 971 N MET A 611 8.086 3.992 -0.893 1.00 0.00 N ATOM 972 CA MET A 611 7.698 3.196 0.263 1.00 0.00 C ATOM 973 C MET A 611 6.652 3.925 1.083 1.00 0.00 C ATOM 974 O MET A 611 5.631 3.351 1.455 1.00 0.00 O ATOM 975 CB MET A 611 8.894 2.875 1.161 1.00 0.00 C ATOM 976 CG MET A 611 8.474 2.514 2.581 1.00 0.00 C ATOM 977 SD MET A 611 8.804 3.823 3.777 1.00 0.00 S ATOM 978 CE MET A 611 10.595 3.862 3.755 1.00 0.00 C ATOM 0 H MET A 611 9.062 4.289 -0.895 1.00 0.00 H new ATOM 0 HA MET A 611 7.288 2.261 -0.119 1.00 0.00 H new ATOM 0 HB2 MET A 611 9.457 2.047 0.730 1.00 0.00 H new ATOM 0 HB3 MET A 611 9.564 3.734 1.190 1.00 0.00 H new ATOM 0 HG2 MET A 611 7.409 2.283 2.590 1.00 0.00 H new ATOM 0 HG3 MET A 611 8.999 1.609 2.889 1.00 0.00 H new ATOM 0 HE1 MET A 611 10.974 3.733 4.769 1.00 0.00 H new ATOM 0 HE2 MET A 611 10.969 3.057 3.122 1.00 0.00 H new ATOM 0 HE3 MET A 611 10.933 4.820 3.361 1.00 0.00 H new ATOM 988 N ALA A 612 6.919 5.189 1.367 1.00 0.00 N ATOM 989 CA ALA A 612 6.036 5.972 2.199 1.00 0.00 C ATOM 990 C ALA A 612 4.667 6.114 1.541 1.00 0.00 C ATOM 991 O ALA A 612 3.637 6.099 2.212 1.00 0.00 O ATOM 992 CB ALA A 612 6.643 7.336 2.493 1.00 0.00 C ATOM 0 H ALA A 612 7.741 5.690 1.031 1.00 0.00 H new ATOM 0 HA ALA A 612 5.904 5.451 3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 612 5.962 7.910 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 612 7.593 7.207 3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 612 6.810 7.869 1.557 1.00 0.00 H new ATOM 998 N ALA A 613 4.666 6.237 0.219 1.00 0.00 N ATOM 999 CA ALA A 613 3.426 6.292 -0.543 1.00 0.00 C ATOM 1000 C ALA A 613 2.706 4.949 -0.493 1.00 0.00 C ATOM 1001 O ALA A 613 1.480 4.886 -0.531 1.00 0.00 O ATOM 1002 CB ALA A 613 3.710 6.694 -1.983 1.00 0.00 C ATOM 0 H ALA A 613 5.512 6.301 -0.348 1.00 0.00 H new ATOM 0 HA ALA A 613 2.776 7.044 -0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 613 2.775 6.731 -2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 613 4.182 7.676 -2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 613 4.377 5.963 -2.440 1.00 0.00 H new ATOM 1008 N ALA A 614 3.480 3.880 -0.386 1.00 0.00 N ATOM 1009 CA ALA A 614 2.926 2.538 -0.324 1.00 0.00 C ATOM 1010 C ALA A 614 2.265 2.279 1.020 1.00 0.00 C ATOM 1011 O ALA A 614 1.145 1.774 1.079 1.00 0.00 O ATOM 1012 CB ALA A 614 4.009 1.500 -0.581 1.00 0.00 C ATOM 0 H ALA A 614 4.498 3.917 -0.340 1.00 0.00 H new ATOM 0 HA ALA A 614 2.166 2.456 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 614 3.575 0.501 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.438 1.659 -1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 614 4.790 1.595 0.173 1.00 0.00 H new ATOM 1018 N GLU A 615 2.955 2.632 2.097 1.00 0.00 N ATOM 1019 CA GLU A 615 2.456 2.363 3.440 1.00 0.00 C ATOM 1020 C GLU A 615 1.213 3.188 3.757 1.00 0.00 C ATOM 1021 O GLU A 615 0.279 2.681 4.385 1.00 0.00 O ATOM 1022 CB GLU A 615 3.553 2.586 4.490 1.00 0.00 C ATOM 1023 CG GLU A 615 4.299 3.904 4.348 1.00 0.00 C ATOM 1024 CD GLU A 615 4.011 4.870 5.478 1.00 0.00 C ATOM 1025 OE1 GLU A 615 3.016 5.611 5.392 1.00 0.00 O ATOM 1026 OE2 GLU A 615 4.792 4.896 6.454 1.00 0.00 O ATOM 0 H GLU A 615 3.859 3.104 2.068 1.00 0.00 H new ATOM 0 HA GLU A 615 2.164 1.313 3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 615 3.104 2.542 5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 615 4.270 1.768 4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 615 5.370 3.707 4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 615 4.027 4.369 3.401 1.00 0.00 H new ATOM 1033 N GLN A 616 1.189 4.444 3.316 1.00 0.00 N ATOM 1034 CA GLN A 616 0.018 5.287 3.532 1.00 0.00 C ATOM 1035 C GLN A 616 -1.159 4.787 2.698 1.00 0.00 C ATOM 1036 O GLN A 616 -2.289 4.748 3.177 1.00 0.00 O ATOM 1037 CB GLN A 616 0.306 6.762 3.219 1.00 0.00 C ATOM 1038 CG GLN A 616 0.691 7.037 1.771 1.00 0.00 C ATOM 1039 CD GLN A 616 0.762 8.521 1.448 1.00 0.00 C ATOM 1040 OE1 GLN A 616 1.555 8.947 0.610 1.00 0.00 O ATOM 1041 NE2 GLN A 616 -0.080 9.315 2.092 1.00 0.00 N ATOM 0 H GLN A 616 1.955 4.894 2.815 1.00 0.00 H new ATOM 0 HA GLN A 616 -0.240 5.222 4.589 1.00 0.00 H new ATOM 0 HB2 GLN A 616 -0.577 7.352 3.465 1.00 0.00 H new ATOM 0 HB3 GLN A 616 1.111 7.108 3.868 1.00 0.00 H new ATOM 0 HG2 GLN A 616 1.658 6.579 1.565 1.00 0.00 H new ATOM 0 HG3 GLN A 616 -0.034 6.561 1.111 1.00 0.00 H new ATOM 0 HE21 GLN A 616 -0.723 8.925 2.781 1.00 0.00 H new ATOM 0 HE22 GLN A 616 -0.085 10.317 1.899 1.00 0.00 H new ATOM 1050 N GLU A 617 -0.885 4.385 1.459 1.00 0.00 N ATOM 1051 CA GLU A 617 -1.926 3.885 0.571 1.00 0.00 C ATOM 1052 C GLU A 617 -2.501 2.579 1.107 1.00 0.00 C ATOM 1053 O GLU A 617 -3.714 2.390 1.130 1.00 0.00 O ATOM 1054 CB GLU A 617 -1.367 3.672 -0.838 1.00 0.00 C ATOM 1055 CG GLU A 617 -2.399 3.193 -1.846 1.00 0.00 C ATOM 1056 CD GLU A 617 -3.327 4.288 -2.326 1.00 0.00 C ATOM 1057 OE1 GLU A 617 -4.231 4.687 -1.568 1.00 0.00 O ATOM 1058 OE2 GLU A 617 -3.171 4.734 -3.484 1.00 0.00 O ATOM 0 H GLU A 617 0.049 4.397 1.050 1.00 0.00 H new ATOM 0 HA GLU A 617 -2.724 4.626 0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 617 -0.935 4.608 -1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 617 -0.556 2.945 -0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 617 -1.884 2.762 -2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 617 -2.992 2.396 -1.397 1.00 0.00 H new ATOM 1065 N LEU A 618 -1.619 1.692 1.557 1.00 0.00 N ATOM 1066 CA LEU A 618 -2.026 0.387 2.066 1.00 0.00 C ATOM 1067 C LEU A 618 -3.025 0.517 3.209 1.00 0.00 C ATOM 1068 O LEU A 618 -4.088 -0.101 3.181 1.00 0.00 O ATOM 1069 CB LEU A 618 -0.804 -0.407 2.537 1.00 0.00 C ATOM 1070 CG LEU A 618 -1.106 -1.785 3.135 1.00 0.00 C ATOM 1071 CD1 LEU A 618 -1.757 -2.695 2.107 1.00 0.00 C ATOM 1072 CD2 LEU A 618 0.163 -2.421 3.669 1.00 0.00 C ATOM 0 H LEU A 618 -0.612 1.855 1.579 1.00 0.00 H new ATOM 0 HA LEU A 618 -2.512 -0.145 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 618 -0.128 -0.537 1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 618 -0.272 0.185 3.282 1.00 0.00 H new ATOM 0 HG LEU A 618 -1.805 -1.648 3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 618 -1.961 -3.666 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 618 -2.692 -2.250 1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 618 -1.086 -2.823 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 618 -0.070 -3.399 4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 618 0.881 -2.537 2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 618 0.591 -1.785 4.444 1.00 0.00 H new ATOM 1084 N GLU A 619 -2.695 1.334 4.201 1.00 0.00 N ATOM 1085 CA GLU A 619 -3.527 1.438 5.389 1.00 0.00 C ATOM 1086 C GLU A 619 -4.871 2.103 5.087 1.00 0.00 C ATOM 1087 O GLU A 619 -5.901 1.666 5.601 1.00 0.00 O ATOM 1088 CB GLU A 619 -2.797 2.177 6.512 1.00 0.00 C ATOM 1089 CG GLU A 619 -2.268 3.545 6.124 1.00 0.00 C ATOM 1090 CD GLU A 619 -1.777 4.327 7.322 1.00 0.00 C ATOM 1091 OE1 GLU A 619 -0.714 3.979 7.878 1.00 0.00 O ATOM 1092 OE2 GLU A 619 -2.462 5.289 7.727 1.00 0.00 O ATOM 0 H GLU A 619 -1.866 1.928 4.206 1.00 0.00 H new ATOM 0 HA GLU A 619 -3.732 0.422 5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 619 -3.476 2.290 7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 619 -1.964 1.562 6.853 1.00 0.00 H new ATOM 0 HG2 GLU A 619 -1.453 3.429 5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 619 -3.055 4.108 5.622 1.00 0.00 H new ATOM 1099 N GLN A 620 -4.873 3.137 4.246 1.00 0.00 N ATOM 1100 CA GLN A 620 -6.119 3.822 3.914 1.00 0.00 C ATOM 1101 C GLN A 620 -6.986 2.965 3.003 1.00 0.00 C ATOM 1102 O GLN A 620 -8.211 2.993 3.092 1.00 0.00 O ATOM 1103 CB GLN A 620 -5.872 5.192 3.274 1.00 0.00 C ATOM 1104 CG GLN A 620 -5.010 5.164 2.022 1.00 0.00 C ATOM 1105 CD GLN A 620 -4.765 6.551 1.465 1.00 0.00 C ATOM 1106 OE1 GLN A 620 -4.757 7.537 2.203 1.00 0.00 O ATOM 1107 NE2 GLN A 620 -4.546 6.645 0.167 1.00 0.00 N ATOM 0 H GLN A 620 -4.041 3.512 3.790 1.00 0.00 H new ATOM 0 HA GLN A 620 -6.648 3.986 4.853 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -6.834 5.640 3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -5.398 5.841 4.010 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -4.054 4.692 2.251 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -5.495 4.550 1.263 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -4.560 5.807 -0.415 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -4.363 7.555 -0.255 1.00 0.00 H new ATOM 1116 N ALA A 621 -6.351 2.197 2.130 1.00 0.00 N ATOM 1117 CA ALA A 621 -7.079 1.272 1.283 1.00 0.00 C ATOM 1118 C ALA A 621 -7.671 0.158 2.136 1.00 0.00 C ATOM 1119 O ALA A 621 -8.785 -0.304 1.892 1.00 0.00 O ATOM 1120 CB ALA A 621 -6.173 0.704 0.200 1.00 0.00 C ATOM 0 H ALA A 621 -5.340 2.197 1.992 1.00 0.00 H new ATOM 0 HA ALA A 621 -7.890 1.806 0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 621 -6.740 0.013 -0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 621 -5.789 1.517 -0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 621 -5.340 0.175 0.663 1.00 0.00 H new ATOM 1126 N PHE A 622 -6.925 -0.246 3.158 1.00 0.00 N ATOM 1127 CA PHE A 622 -7.370 -1.283 4.077 1.00 0.00 C ATOM 1128 C PHE A 622 -8.638 -0.871 4.814 1.00 0.00 C ATOM 1129 O PHE A 622 -9.629 -1.597 4.807 1.00 0.00 O ATOM 1130 CB PHE A 622 -6.287 -1.603 5.096 1.00 0.00 C ATOM 1131 CG PHE A 622 -5.717 -2.979 4.952 1.00 0.00 C ATOM 1132 CD1 PHE A 622 -6.485 -4.089 5.256 1.00 0.00 C ATOM 1133 CD2 PHE A 622 -4.417 -3.162 4.517 1.00 0.00 C ATOM 1134 CE1 PHE A 622 -5.966 -5.362 5.129 1.00 0.00 C ATOM 1135 CE2 PHE A 622 -3.892 -4.432 4.387 1.00 0.00 C ATOM 1136 CZ PHE A 622 -4.668 -5.533 4.693 1.00 0.00 C ATOM 0 H PHE A 622 -6.002 0.133 3.371 1.00 0.00 H new ATOM 0 HA PHE A 622 -7.583 -2.169 3.478 1.00 0.00 H new ATOM 0 HB2 PHE A 622 -5.483 -0.874 5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 622 -6.699 -1.493 6.099 1.00 0.00 H new ATOM 0 HD1 PHE A 622 -7.502 -3.958 5.596 1.00 0.00 H new ATOM 0 HD2 PHE A 622 -3.807 -2.304 4.277 1.00 0.00 H new ATOM 0 HE1 PHE A 622 -6.574 -6.221 5.370 1.00 0.00 H new ATOM 0 HE2 PHE A 622 -2.876 -4.565 4.046 1.00 0.00 H new ATOM 0 HZ PHE A 622 -4.259 -6.527 4.591 1.00 0.00 H new ATOM 1146 N GLU A 623 -8.602 0.296 5.450 1.00 0.00 N ATOM 1147 CA GLU A 623 -9.755 0.778 6.200 1.00 0.00 C ATOM 1148 C GLU A 623 -10.914 1.078 5.257 1.00 0.00 C ATOM 1149 O GLU A 623 -12.079 0.974 5.644 1.00 0.00 O ATOM 1150 CB GLU A 623 -9.392 1.995 7.069 1.00 0.00 C ATOM 1151 CG GLU A 623 -8.562 3.051 6.358 1.00 0.00 C ATOM 1152 CD GLU A 623 -9.378 4.232 5.865 1.00 0.00 C ATOM 1153 OE1 GLU A 623 -10.587 4.072 5.622 1.00 0.00 O ATOM 1154 OE2 GLU A 623 -8.807 5.337 5.739 1.00 0.00 O ATOM 0 H GLU A 623 -7.795 0.920 5.461 1.00 0.00 H new ATOM 0 HA GLU A 623 -10.075 -0.010 6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 623 -10.312 2.456 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 623 -8.844 1.649 7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 623 -7.789 3.412 7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 623 -8.053 2.592 5.510 1.00 0.00 H new ATOM 1161 N ARG A 624 -10.590 1.426 4.010 1.00 0.00 N ATOM 1162 CA ARG A 624 -11.602 1.534 2.971 1.00 0.00 C ATOM 1163 C ARG A 624 -12.286 0.193 2.813 1.00 0.00 C ATOM 1164 O ARG A 624 -13.505 0.088 2.904 1.00 0.00 O ATOM 1165 CB ARG A 624 -10.973 1.935 1.634 1.00 0.00 C ATOM 1166 CG ARG A 624 -11.979 2.330 0.567 1.00 0.00 C ATOM 1167 CD ARG A 624 -12.732 3.586 0.966 1.00 0.00 C ATOM 1168 NE ARG A 624 -11.819 4.625 1.441 1.00 0.00 N ATOM 1169 CZ ARG A 624 -11.737 5.014 2.716 1.00 0.00 C ATOM 1170 NH1 ARG A 624 -12.617 4.576 3.609 1.00 0.00 N ATOM 1171 NH2 ARG A 624 -10.781 5.849 3.091 1.00 0.00 N ATOM 0 H ARG A 624 -9.640 1.635 3.702 1.00 0.00 H new ATOM 0 HA ARG A 624 -12.321 2.301 3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -10.291 2.769 1.801 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.374 1.103 1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.464 2.496 -0.379 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.684 1.514 0.408 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.299 3.959 0.113 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.453 3.347 1.748 1.00 0.00 H new ATOM 0 HE ARG A 624 -11.210 5.078 0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -13.360 3.939 3.322 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -12.549 4.876 4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -10.108 6.194 2.407 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -10.717 6.147 4.064 1.00 0.00 H new ATOM 1185 N TRP A 625 -11.468 -0.824 2.600 1.00 0.00 N ATOM 1186 CA TRP A 625 -11.938 -2.182 2.425 1.00 0.00 C ATOM 1187 C TRP A 625 -12.779 -2.639 3.612 1.00 0.00 C ATOM 1188 O TRP A 625 -13.879 -3.160 3.441 1.00 0.00 O ATOM 1189 CB TRP A 625 -10.743 -3.114 2.238 1.00 0.00 C ATOM 1190 CG TRP A 625 -11.138 -4.550 2.181 1.00 0.00 C ATOM 1191 CD1 TRP A 625 -11.753 -5.184 1.147 1.00 0.00 C ATOM 1192 CD2 TRP A 625 -10.961 -5.523 3.207 1.00 0.00 C ATOM 1193 NE1 TRP A 625 -11.977 -6.501 1.472 1.00 0.00 N ATOM 1194 CE2 TRP A 625 -11.499 -6.730 2.736 1.00 0.00 C ATOM 1195 CE3 TRP A 625 -10.401 -5.485 4.483 1.00 0.00 C ATOM 1196 CZ2 TRP A 625 -11.494 -7.892 3.500 1.00 0.00 C ATOM 1197 CZ3 TRP A 625 -10.396 -6.636 5.240 1.00 0.00 C ATOM 1198 CH2 TRP A 625 -10.941 -7.825 4.750 1.00 0.00 C ATOM 0 H TRP A 625 -10.454 -0.727 2.544 1.00 0.00 H new ATOM 0 HA TRP A 625 -12.572 -2.214 1.539 1.00 0.00 H new ATOM 0 HB2 TRP A 625 -10.220 -2.848 1.319 1.00 0.00 H new ATOM 0 HB3 TRP A 625 -10.041 -2.967 3.058 1.00 0.00 H new ATOM 0 HD1 TRP A 625 -12.025 -4.722 0.210 1.00 0.00 H new ATOM 0 HE1 TRP A 625 -12.425 -7.193 0.872 1.00 0.00 H new ATOM 0 HE3 TRP A 625 -9.979 -4.570 4.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 625 -11.911 -8.813 3.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 625 -9.963 -6.619 6.229 1.00 0.00 H new ATOM 0 HH2 TRP A 625 -10.926 -8.709 5.370 1.00 0.00 H new ATOM 1209 N GLU A 626 -12.254 -2.434 4.813 1.00 0.00 N ATOM 1210 CA GLU A 626 -12.937 -2.843 6.031 1.00 0.00 C ATOM 1211 C GLU A 626 -14.262 -2.107 6.188 1.00 0.00 C ATOM 1212 O GLU A 626 -15.243 -2.673 6.664 1.00 0.00 O ATOM 1213 CB GLU A 626 -12.041 -2.602 7.244 1.00 0.00 C ATOM 1214 CG GLU A 626 -10.777 -3.446 7.228 1.00 0.00 C ATOM 1215 CD GLU A 626 -9.879 -3.175 8.412 1.00 0.00 C ATOM 1216 OE1 GLU A 626 -10.398 -3.027 9.540 1.00 0.00 O ATOM 1217 OE2 GLU A 626 -8.647 -3.123 8.226 1.00 0.00 O ATOM 0 H GLU A 626 -11.352 -1.984 4.969 1.00 0.00 H new ATOM 0 HA GLU A 626 -13.153 -3.909 5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -11.766 -1.548 7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -12.603 -2.818 8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -11.050 -4.501 7.218 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -10.227 -3.251 6.308 1.00 0.00 H new ATOM 1224 N TYR A 627 -14.291 -0.842 5.783 1.00 0.00 N ATOM 1225 CA TYR A 627 -15.533 -0.081 5.752 1.00 0.00 C ATOM 1226 C TYR A 627 -16.493 -0.674 4.727 1.00 0.00 C ATOM 1227 O TYR A 627 -17.687 -0.790 4.985 1.00 0.00 O ATOM 1228 CB TYR A 627 -15.252 1.397 5.445 1.00 0.00 C ATOM 1229 CG TYR A 627 -16.406 2.152 4.809 1.00 0.00 C ATOM 1230 CD1 TYR A 627 -17.617 2.333 5.473 1.00 0.00 C ATOM 1231 CD2 TYR A 627 -16.273 2.697 3.537 1.00 0.00 C ATOM 1232 CE1 TYR A 627 -18.656 3.029 4.884 1.00 0.00 C ATOM 1233 CE2 TYR A 627 -17.309 3.392 2.943 1.00 0.00 C ATOM 1234 CZ TYR A 627 -18.498 3.558 3.621 1.00 0.00 C ATOM 1235 OH TYR A 627 -19.532 4.257 3.040 1.00 0.00 O ATOM 0 H TYR A 627 -13.470 -0.323 5.472 1.00 0.00 H new ATOM 0 HA TYR A 627 -16.001 -0.140 6.734 1.00 0.00 H new ATOM 0 HB2 TYR A 627 -14.977 1.899 6.373 1.00 0.00 H new ATOM 0 HB3 TYR A 627 -14.389 1.457 4.782 1.00 0.00 H new ATOM 0 HD1 TYR A 627 -17.746 1.923 6.464 1.00 0.00 H new ATOM 0 HD2 TYR A 627 -15.342 2.575 3.003 1.00 0.00 H new ATOM 0 HE1 TYR A 627 -19.589 3.158 5.412 1.00 0.00 H new ATOM 0 HE2 TYR A 627 -17.188 3.803 1.952 1.00 0.00 H new ATOM 0 HH TYR A 627 -19.260 4.565 2.150 1.00 0.00 H new ATOM 1245 N LEU A 628 -15.962 -1.070 3.580 1.00 0.00 N ATOM 1246 CA LEU A 628 -16.781 -1.604 2.500 1.00 0.00 C ATOM 1247 C LEU A 628 -17.372 -2.960 2.870 1.00 0.00 C ATOM 1248 O LEU A 628 -18.562 -3.197 2.670 1.00 0.00 O ATOM 1249 CB LEU A 628 -15.956 -1.696 1.213 1.00 0.00 C ATOM 1250 CG LEU A 628 -15.367 -0.362 0.747 1.00 0.00 C ATOM 1251 CD1 LEU A 628 -14.552 -0.545 -0.519 1.00 0.00 C ATOM 1252 CD2 LEU A 628 -16.466 0.668 0.533 1.00 0.00 C ATOM 0 H LEU A 628 -14.964 -1.032 3.372 1.00 0.00 H new ATOM 0 HA LEU A 628 -17.615 -0.923 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -15.143 -2.405 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -16.585 -2.099 0.420 1.00 0.00 H new ATOM 0 HG LEU A 628 -14.703 0.005 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -14.144 0.416 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -13.735 -1.242 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -15.190 -0.941 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -16.024 1.608 0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -17.161 0.307 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -17.002 0.828 1.469 1.00 0.00 H new ATOM 1264 N GLU A 629 -16.544 -3.840 3.421 1.00 0.00 N ATOM 1265 CA GLU A 629 -17.012 -5.138 3.894 1.00 0.00 C ATOM 1266 C GLU A 629 -18.060 -4.969 4.988 1.00 0.00 C ATOM 1267 O GLU A 629 -19.112 -5.611 4.958 1.00 0.00 O ATOM 1268 CB GLU A 629 -15.837 -5.972 4.411 1.00 0.00 C ATOM 1269 CG GLU A 629 -15.014 -6.626 3.313 1.00 0.00 C ATOM 1270 CD GLU A 629 -15.772 -7.722 2.591 1.00 0.00 C ATOM 1271 OE1 GLU A 629 -16.662 -7.411 1.779 1.00 0.00 O ATOM 1272 OE2 GLU A 629 -15.475 -8.913 2.834 1.00 0.00 O ATOM 0 H GLU A 629 -15.545 -3.679 3.551 1.00 0.00 H new ATOM 0 HA GLU A 629 -17.472 -5.661 3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 629 -15.186 -5.333 5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 629 -16.219 -6.747 5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 629 -14.707 -5.867 2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 629 -14.104 -7.043 3.745 1.00 0.00 H new ATOM 1279 N ALA A 630 -17.774 -4.088 5.943 1.00 0.00 N ATOM 1280 CA ALA A 630 -18.697 -3.808 7.036 1.00 0.00 C ATOM 1281 C ALA A 630 -19.999 -3.213 6.516 1.00 0.00 C ATOM 1282 O ALA A 630 -21.083 -3.645 6.902 1.00 0.00 O ATOM 1283 CB ALA A 630 -18.055 -2.867 8.043 1.00 0.00 C ATOM 0 H ALA A 630 -16.906 -3.554 5.981 1.00 0.00 H new ATOM 0 HA ALA A 630 -18.928 -4.751 7.531 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -18.756 -2.667 8.853 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -17.154 -3.328 8.448 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.794 -1.930 7.550 1.00 0.00 H new ATOM 1289 N LEU A 631 -19.879 -2.224 5.634 1.00 0.00 N ATOM 1290 CA LEU A 631 -21.038 -1.559 5.048 1.00 0.00 C ATOM 1291 C LEU A 631 -21.900 -2.561 4.293 1.00 0.00 C ATOM 1292 O LEU A 631 -23.124 -2.526 4.365 1.00 0.00 O ATOM 1293 CB LEU A 631 -20.590 -0.459 4.082 1.00 0.00 C ATOM 1294 CG LEU A 631 -21.671 0.553 3.713 1.00 0.00 C ATOM 1295 CD1 LEU A 631 -21.890 1.522 4.858 1.00 0.00 C ATOM 1296 CD2 LEU A 631 -21.299 1.302 2.448 1.00 0.00 C ATOM 0 H LEU A 631 -18.982 -1.864 5.308 1.00 0.00 H new ATOM 0 HA LEU A 631 -21.619 -1.118 5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -19.750 0.075 4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -20.223 -0.926 3.168 1.00 0.00 H new ATOM 0 HG LEU A 631 -22.600 0.014 3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -22.663 2.240 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -22.203 0.972 5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -20.961 2.052 5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -22.084 2.018 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -20.360 1.833 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -21.185 0.595 1.626 1.00 0.00 H new ATOM 1308 N LYS A 632 -21.237 -3.445 3.563 1.00 0.00 N ATOM 1309 CA LYS A 632 -21.909 -4.458 2.767 1.00 0.00 C ATOM 1310 C LYS A 632 -22.692 -5.421 3.660 1.00 0.00 C ATOM 1311 O LYS A 632 -23.855 -5.731 3.396 1.00 0.00 O ATOM 1312 CB LYS A 632 -20.871 -5.236 1.961 1.00 0.00 C ATOM 1313 CG LYS A 632 -21.458 -6.216 0.958 1.00 0.00 C ATOM 1314 CD LYS A 632 -20.407 -7.217 0.502 1.00 0.00 C ATOM 1315 CE LYS A 632 -19.959 -8.106 1.653 1.00 0.00 C ATOM 1316 NZ LYS A 632 -18.762 -8.916 1.309 1.00 0.00 N ATOM 0 H LYS A 632 -20.219 -3.480 3.506 1.00 0.00 H new ATOM 0 HA LYS A 632 -22.611 -3.966 2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 632 -20.237 -4.527 1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 632 -20.229 -5.783 2.651 1.00 0.00 H new ATOM 0 HG2 LYS A 632 -22.299 -6.744 1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 632 -21.847 -5.673 0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 632 -20.812 -7.833 -0.301 1.00 0.00 H new ATOM 0 HD3 LYS A 632 -19.548 -6.685 0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 632 -19.738 -7.487 2.522 1.00 0.00 H new ATOM 0 HE3 LYS A 632 -20.776 -8.771 1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 -18.526 -9.542 2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 -18.962 -9.490 0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 -17.959 -8.284 1.115 1.00 0.00 H new